drug_info.csv

,atc,chirality,alogp,aromatic rings,cx_logd,cx_logp,cx_most_apka,cx_most_bpka,full_mwt,hba,hba_lipinski,hbd,hbd_lipinski,heavy atoms,molecular species,mw_freebase,mw_monoisotopic,num_lipinski_ro5_violations,num_ro5_violations,psa,qed_weighted,ro3_pass,rtb,oral administration,parentreral,topical,prodrug,withdrawn flag,black_box warning,smiles,name,,,,,,,,
CHEMBL2,C02CA01_,2,1.78,3,1.43,1.65,None,7.24,383.41,8,9,1,2,28,NEUTRAL,383.41,383.1594,0,0,106.95,0.73,N,4,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,Prazosin_CP-122991_CP-12299_,,,,,,,,
CHEMBL3,N07BA01_,1,1.85,1,-0.04,1.16,None,8.58,162.24,2,2,0,0,12,BASE,162.24,162.1157,0,0,16.13,0.63,Y,1,TRUE,FALSE,TRUE,0,FALSE,0,CN1CCC[C@H]1c1cccnc1,Nicoderm cq_Stoppers_Nicotrol_Nicotrol NS_Niquitin_Niquitin minis orange_Nicotinell tts 30_Nicorette invisi_Niquitin mint_Nicopatch_Niquitin strips mint_Niquitin minis cherry_Nicopass_Habitrol_Nicotrol Inhaler_Nicoderm_Nicotinell tts 20_Niquitin pre-quit_Nicotine_Nicotinell classic_Niquitin clr_Niquitin minis mint_Nicotinell tts 10_Nicotinell support_Stubit_Nicabate_Prostep_,,,,,,,,
CHEMBL4,J01MA01_S02AA16_S01AE01_,0,1.54,2,-0.47,0.51,5.29,6.16,361.37,6,7,1,1,26,ACID,361.37,361.1438,0,0,75.01,0.87,N,2,TRUE,TRUE,TRUE,0,FALSE,1,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,Ocuflox_Visiren_Tarivid_DL-8280_Exocin_HOE 280_HOE-280_Tarivid i.v._J01MA01_Ofloxacin_NSC-727071_NSC-758178_Floxin_Floxin otic_Tarivid 400_,,,,,,,,
CHEMBL5,J01MB02_,2,1.42,2,-0.45,0.79,4.37,6.06,232.24,4,5,1,1,17,ACID,232.24,232.0848,0,0,72.19,0.85,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21,Negram_Nalidixane_Uriben_Nalidixic acid_Wintomylon_Nalix_Neggram_Neg Gram_WIN-18320_Uroneg_WIN 18,320_Nalidixate_Mictral_NSC-82174_,,,,,,,
CHEMBL6,C01EB03_M02AA23_M01AB51_S01BC01_M01AB01_,2,3.93,3,0.26,3.53,3.79,None,357.79,4,5,1,1,25,ACID,357.79,357.0768,0,0,68.53,0.77,N,4,TRUE,TRUE,TRUE,0,FALSE,1,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,Indocid ret_NSC-757061_Indoderm_Rheumacin la_Indoptol_Indocin sr_Pardelprin mr_Indo-paed_Durametacin_NSC-77541_Indomax-75 sr_Indometacin farnesil_Artracin_Indotard mr 75_Indoflex_Mobilan_Indo-lemmon_Indomod_Flexin-75 continus_Rimacid_Tivorbex_Indomethacin_Berlind 75 ret_Ledmecin_Flexin-50 continus_Flexin-25 continus_Indocin_Slo-indo_Aconip_Indometacinum_Indolar_Indolar sr_Reumacide_Indocid-r_Indometacin_Artracin sr_Maximet sr_Imbrilon_Indomax-25_,,,,,,,,
CHEMBL403,J01CG01_,1,-0.79,0,-4.35,-0.89,3.09,None,233.25,4,6,1,1,15,ACID,233.25,233.0358,0,0,91.75,0.6,N,1,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,CP-458992_CP-45899_NSC-759886_Sulbactam_,,,,,,,,
CHEMBL404,J01CG02_,1,-1.52,1,-4.89,-1.4,2.86,0.75,300.3,7,9,1,1,20,ACID,300.3,300.0528,0,0,122.46,0.67,N,3,FALSE,TRUE,FALSE,0,FALSE,0,C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,CL-298741_YTR-830H_Tazobactam_CL 298,741_NSC-759887_,,,,,,,
CHEMBL8,J01MA02_S03AA07_S01AE03_S02AA15_,2,1.58,2,-0.85,-0.85,5.56,8.68,331.35,5,6,2,2,24,ZWITTERION,331.35,331.1332,0,0,74.57,0.89,N,3,TRUE,TRUE,TRUE,0,FALSE,1,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,Ciprobay_Ciprofloxacin_BAY-Q-3939_Cipro_BAY O 9867 FREE BASE_BAY Q 3939_Ciloxan_BAY-O-9867 FREE BASE_NSC-758467_Cetraxal_Ciprofloxacinum_BAYQ3939_Otiprio_Velmonit_,,,,,,,,
CHEMBL9,J01MA06_S01AE02_,2,1.27,2,-0.96,-0.96,5.58,8.68,319.34,5,6,2,2,23,ZWITTERION,319.34,319.1332,0,0,74.57,0.89,N,3,TRUE,FALSE,TRUE,0,FALSE,1,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,Baccidal_Chibroxin_NSC-757250_Utinor_Quinabic_Noroxin_Norfloxacin_MK-366_,,,,,,,,
CHEMBL6318,,2,7.13,3,6.12,7.69,None,8.95,523.46,2,2,0,0,31,BASE,523.46,523.1372,2,2,12.47,0.23,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1,Idoxifene_SB-223030_CB 7432_CB-7432_,,,,,,,,
CHEMBL405,N06BA01_,0,1.58,1,-0.67,1.8,None,10.01,135.21,1,1,1,2,10,BASE,135.21,135.1048,0,0,26.02,0.65,Y,2,TRUE,FALSE,FALSE,0,FALSE,1,CC(N)Cc1ccccc1,Norephedrane_NSC-27159_Adzenys xr-odt_Amphetamine resin complex_Amfetamin_Amfetamine_Adzenys er_Dyanavel xr_Amphetamine_Amphetamine, dl-_Dyanavel_,,,,,,,
CHEMBL6622,C05AE02_C01DA08_C01DA58_,1,-1.06,0,-0.01,-0.01,None,None,236.14,8,10,0,0,16,NEUTRAL,236.14,236.0281,0,0,123.2,0.45,N,4,TRUE,FALSE,TRUE,1,FALSE,0,O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-],Isosorbide dinitrate, diluted-_Isoket 10_Isomannide-dinitrate_Imtack_Dilatrate_Sorbid-20 sa_Cedocard-5_Angitak_C01DA08_Isosorbide dinitrate_Vascardin_Isoket 5_Cedocard-10_Isocard_Isoket 20_Isordil_Sorbichew_Sorbitrate_Isomannide dinitrate_Isoket ret 20_Cedocard ret_Carvasin_Isosorbide dinitrate, diluted_Diluted-isosorbide dinitrate_Cedocard-40_Isosorbidi dinitras dilutes_Sorbid-40 sa_Isordil tembids_NSC-80038_Diluted isosorbide dinitrate rs_Cedocard_Jeridin_Iso mack_Dilatrate-sr_Cedocard-20_Isosorbidi dinitras dilutus_Diluted isosorbide dinitrate_Sorbide nitrate_Isoket ret 40_Sorbidilat_Sorbid sa_Soni-slo_,,,,,,
CHEMBL6437,N06AX03_,0,3.08,2,3.71,3.83,None,6.92,264.37,2,2,0,0,20,NEUTRAL,264.37,264.1626,0,0,6.48,0.72,N,0,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN2c3ccccc3Cc3ccccc3C2C1,Mianserin_J16.389I_Tolvon_,,,,,,,,
CHEMBL11,N06AA02_,2,3.88,2,2.48,4.28,None,9.2,280.42,2,2,0,0,21,BASE,280.42,280.1939,0,0,6.48,0.84,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CN(C)CCCN1c2ccccc2CCc2ccccc21,Sermonil_Antideprin_Imipramine_Melipramine_Presamine_ORG-2463_Cristalia_Tofranil_Trimipramine maleate impurity, imipramine-_Janimine_NSC-169866_Tofranil-PM_Pramine_Berkomine_,,,,,,,
CHEMBL406,C03BA11_,0,2.08,2,2.63,2.64,8.85,0.1,365.84,4,6,2,3,24,NEUTRAL,365.84,365.0601,0,0,92.5,0.87,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,Cardide sr_NSC-757075_Ethibide xl_Indaxa 2.5_Noranat_Fludex_KYD-041_Fludin_Rawel xl_Opumide 2.5_Tensaid xl_Lorvas_Natrilix_Ipamix_Damide_Natrix_Varbim xl_Flubest_Indamol_SE-1520_Indipam xl_Flupamid_Lozol_Tandix_Indamide_Indapamide_Mapemid xl_Natrilix sr_Bajaten_Veroxil_Arifon_S-1520_Tertensif_Indaflex_Nindaxa 2.5_,,,,,,,,
CHEMBL407,V03AB25_,2,1.77,2,1.39,1.39,None,2.87,303.29,5,6,0,0,22,NEUTRAL,303.29,303.1019,0,0,64.43,0.79,N,2,FALSE,TRUE,FALSE,0,FALSE,1,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,RO-151788000_RO 15-1788/000_RO-15-1788_Anexate_Lanexat_NSC-759193_Flumazepil_RO-1722_RO-41-8157_Romazicon_Mazicon_RO-151788_Flumazenil_,,,,,,,,
CHEMBL408,A10BG01_,0,4.37,2,4.67,5.5,6.61,None,441.55,6,6,2,2,31,NEUTRAL,441.55,441.161,0,0,84.86,0.72,N,5,TRUE,FALSE,FALSE,0,TRUE,0,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2,CS-045_Prelay_Rezulin_GR-92132X_Romozin_GR92132X_Troglitazone_CI-991_,,,,,,,,
CHEMBL409,L02BB03_,0,2.88,2,2.71,2.71,11.78,None,430.38,5,6,2,2,29,NEUTRAL,430.38,430.061,0,0,107.26,0.56,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,ICI 176,334_Casodex_Cosudex_ICI176,334-1_Calutide_Kalumid_NSC-759816_ICI-176334_Bicalutamide_,,,,,,
CHEMBL12,N05BA01_,2,3.15,2,3.08,3.08,None,2.92,284.75,2,3,0,0,20,NEUTRAL,284.75,284.0716,0,0,32.67,0.79,N,1,TRUE,TRUE,TRUE,0,FALSE,1,CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,Dizac_Diastat acudial_Tranquase_Alupram 10_WY-3467_LA III_Scriptopam_Diazepam intensol_Diazepam_Diazepam civ_Vivol_Solis_Centrazepam_Valium_RO-5-2807_Relanium_RO 5-2807_Alupram 2_Dialar fte_Tranimul_Dialar_Serenack_E-Pam_NRL-1_Valclair_Atensine_Valtoco_Apozepam_Stesolid_Tensium_Valrelease_Diastat_NSC-169897_Paxel_Alupram 5_NSC-77518_Servizepam_RO-52807_Q-pam_Diacepin_Ansiolisina_Nrl-1_LA-III_,,,,,,,,
CHEMBL13,C07AB02_,0,1.61,1,-0.47,1.76,None,9.67,267.37,4,4,2,2,19,BASE,267.37,267.1834,0,0,50.72,0.71,N,9,TRUE,TRUE,FALSE,0,FALSE,1,COCCc1ccc(OCC(O)CNC(C)C)cc1,Lopressidone_Seroken_Beatrolol_Dl-metoprolol_CGP-2175_Toprol-XL_Metoprolol_(rs)-metoprolol_Metoprolol slow release_,,,,,,,,
CHEMBL411,G03CB02_G03CC05_L02AA01_,2,4.83,2,5.17,5.19,8.63,None,268.36,2,2,2,2,20,NEUTRAL,268.36,268.1463,0,0,40.46,0.78,N,4,TRUE,TRUE,TRUE,0,TRUE,0,CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,Estromenin_Stilbetin_Distilbene_Estrobene_Stilbestro_Palestrol_Stilboesterol_Synestrin_Stilbestroform_Diethylstilbestrol_Stilboestrol_Stilbestrol_New-estranol 1_Synthestrin_Apstil_Cyren a_Tampovagan_Fonatol_NSC-3070_Estrogenine_,,,,,,,,
CHEMBL267936,C02BB01_,0,2.42,0,-0.67,2.37,None,10.88,167.3,1,1,1,1,12,BASE,167.3,167.1674,0,0,12.03,0.63,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,CNC1(C)C2CCC(C2)C1(C)C,Mecamylamine_,,,,,,,,
CHEMBL14,N07AB01_S01EB02_,2,-0.21,0,-4.55,-4.55,None,None,182.65,2,4,1,2,10,NEUTRAL,147.2,147.1128,0,0,52.32,0.56,Y,3,FALSE,TRUE,FALSE,0,FALSE,0,C[N+](C)(C)CCOC(N)=O.[Cl-],Carbachol chloride_Carbamoylcholine chloride_Carbacholine chloride_Carbacholine Chloride_Miostat_NSC-32865_Carbastat_Carbachol_Doryl_,,,,,,,,
CHEMBL16,N03AB02_N03AB52_,2,1.97,2,1.07,2.63,5.86,None,252.27,2,4,2,2,19,ACID,252.27,252.0899,0,0,61.69,0.86,N,2,TRUE,FALSE,FALSE,0,FALSE,0,O=C1N=C(O)NC1(c1ccccc1)c1ccccc1,Phenytoinum_Epamin_Phenytex_Zentropil_Dilabid_NSC-8722_Hydantol_Phenytoin_Lepitoin_Dilantin-125_Dilantin_Phentytoin_Dilantin-30_SM-88 COMPONENT PHENYTOIN_Phenytek_Diphenylhydantoin_,,,,,,,,
CHEMBL413,L04AA10_S01XA23_,1,6.18,0,7.45,7.45,9.96,None,914.19,13,14,3,3,65,NEUTRAL,914.19,913.5551,3,3,195.43,0.16,N,6,TRUE,FALSE,FALSE,0,FALSE,1,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,SM-88 COMPONENT SIROLIMUS_Npc-12g_Rapamune_WY-090217_NSC-226080_AY-22989_L04AA10_Sirolimus_Rapamycin_Rapalimus_,,,,,,,,
CHEMBL269732,,1,4.64,0,5.59,5.59,9.96,None,804.03,12,13,3,3,57,NEUTRAL,804.03,803.482,2,2,178.36,0.18,N,7,TRUE,TRUE,TRUE,0,FALSE,1,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,FK506_FR-900506_Tacrolimus_FK-506_NSC-758659_Prograf_Tacrolimus monohydrate_Protopic_,,,,,,,,
CHEMBL415,N06AA04_,2,4.53,2,3.09,4.88,None,9.2,314.86,2,2,0,0,22,BASE,314.86,314.155,0,0,6.48,0.82,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,Clomipramine_Clomicalm_NSC-169865_Chlorimipramine_Anafranil_3-chloro-iminodibenzyl_Anapramine_,,,,,,,,
CHEMBL416,D05BA02_D05AD02_,2,2.55,3,1.78,1.78,None,None,216.19,4,4,0,0,16,NEUTRAL,216.19,216.0423,0,0,52.58,0.59,N,1,TRUE,TRUE,TRUE,0,FALSE,1,COc1c2occc2cc2ccc(=O)oc12,8-mop_Oxypsoralen_Puvasoralen-8_Metoxalen_Vitpso_Meladinine_8-methoxsalen_SM-88 COMPONENT METHOXSALEN_Oxsoralen_NSC-45923_Xanthotoxin_Methoxsalen_Oxsoralen-ultra_Puvalen_Deltasoralen_Uvadex_8-methoxypsoralen_,,,,,,,,
CHEMBL17,S01EC02_,2,0.29,1,0.29,0.39,7.94,None,305.16,4,6,2,4,16,NEUTRAL,305.16,303.9146,0,0,120.32,0.82,N,2,TRUE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1,Oratrol_Daranide_Keveyis_Diclofenamide_Dichlorphenamide_,,,,,,,,
CHEMBL18,,2,1.34,2,1.39,1.6,7.51,None,258.32,5,5,1,2,16,NEUTRAL,258.32,258.0133,0,0,82.28,0.9,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CCOc1ccc2nc(S(N)(=O)=O)sc2c1,Ethoxzolamide_Ethamide_NSC-10679_Cardrase_,,,,,,,,
CHEMBL417,L01DB03_,1,0,2,0.1,0.53,8,9.03,543.53,12,12,6,7,39,BASE,543.53,543.1741,3,3,206.07,0.24,N,5,FALSE,TRUE,FALSE,0,FALSE,1,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1,NSC-256942_Farmorubicin_Epidoxorubicin_Epirubicin_Epiadriamycin_4'-epi-adriamycin_Ellence_,,,,,,,,
CHEMBL19,S01EC05_,2,-1.42,1,-0.93,-0.59,7.21,None,236.28,6,7,1,2,14,NEUTRAL,236.28,236.0038,0,0,107.41,0.64,N,1,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C,Methenamide_NSC-758426_L-584601_Neptazaneat_VVP-808_Methazolamide_VVP808_Neptazane_,,,,,,,,
CHEMBL20,S01EC01_,2,-0.86,1,-2.08,-1.04,6.55,None,222.25,6,7,2,3,13,NEUTRAL,222.25,221.9881,0,0,115.04,0.63,N,2,TRUE,TRUE,FALSE,0,FALSE,0,CC(=O)Nc1nnc(S(N)(=O)=O)s1,NSC-145177_Diamox sr_Nephramide_Glaupax_Eytazox_L 579486_Acetazolamidum_Phonurit_Donmox_Atenezo_Acetazolamide_Diamox_Acetamox_Edemox_Defiltran_Didoc_Diuriwas_,,,,,,,,
CHEMBL419,D06BA03_,2,-0.21,1,-1.96,-0.52,10.25,9.04,186.24,3,4,2,4,12,BASE,186.24,186.0463,0,0,86.18,0.67,N,2,FALSE,FALSE,TRUE,0,FALSE,0,NCc1ccc(S(N)(=O)=O)cc1,NSC-34632_Mafenide_Sulfamylon_D06BA03_4-homosulfanilamide_,,,,,,,,
CHEMBL21,D06BA05_J01EB06_,2,-0.08,1,-0.25,-0.25,10.99,2.27,172.21,3,4,2,4,11,NEUTRAL,172.21,172.0306,0,0,86.18,0.58,N,1,FALSE,FALSE,TRUE,0,FALSE,0,Nc1ccc(S(N)(=O)=O)cc1,P-aminobenzenesulfonamide_Sulphanilamidum_Sulfanilamide_Streptocid_Prontylin_Prontosil i_Sulfonamide_NSC-7618_Aniline-p-sulfonic amide_P-aminobenzenesulfamide_Sulfamine_,,,,,,,,
CHEMBL420,,2,1.81,1,1.34,2.18,None,8.18,231.09,2,4,3,4,14,NEUTRAL,231.09,230.0126,0,0,74.26,0.41,N,2,TRUE,FALSE,FALSE,0,FALSE,0,N=C(N)N/N=C/c1c(Cl)cccc1Cl,NSC-68982_Guanabenz_WY-8678_,,,,,,,,
CHEMBL22,J01EA01_,2,1.26,2,1.1,1.28,None,7.16,290.32,7,7,2,4,21,NEUTRAL,290.32,290.1379,0,0,105.51,0.85,N,5,TRUE,TRUE,TRUE,0,FALSE,0,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,Polytrim_NSC-106568_Ipral_Trimpex_Trimopan_Trimethoprim_Wellcoprim_Trimethoprimum_Ledatrim_Tiempe_Proloprim_BW-56-72_Primsol_Triprimix 200_BW 56-72_Syraprim_NIH-204_Monotrim_Trimogal_Infectotrimet_Trimpex 200_Proloprin_TCMDC-125538_,,,,,,,,
CHEMBL6966,C08DA01_C08DA51_,0,5.09,2,2.79,5.04,None,9.68,454.61,6,6,0,0,33,BASE,454.61,454.2832,1,1,63.95,0.42,N,13,TRUE,TRUE,FALSE,0,FALSE,0,COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,Verapamil slow release_Isoptin_NSC-272306NA_CP-165331_Iproveratril_Verapamil_Covera-HS_Verelan_Calan_D-365_Tarka_CP-16533-1_CP-16,533-1_,,,,,,,
CHEMBL421,A07EC01_,2,3.7,3,0.25,4.25,3.23,0.55,398.4,7,9,3,3,28,ACID,398.4,398.0685,0,0,141.31,0.54,N,6,TRUE,FALSE,FALSE,1,FALSE,0,O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,Ucine_Salazopyrin_Azulfidine en-tabs_Salazopyrin e.c._NSC-203730_Azulfidine EN_Benzosulfa_SAS-500_Sulfasalazinum_Colizine_Sulfasalazopyridine_Salazopyrin-en_Sulphasalazine_NSC-667219_Salicylazosulfapyridine_S.a.s.-500_Azulfidine_Sulfasalazine_S.a.s._Salazosulfapyridine_,,,,,,,,
CHEMBL6466,,2,1.79,2,1.78,1.78,None,None,146.14,2,2,0,0,11,NA,146.14,146.0368,0,0,30.21,0.53,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,O=c1ccc2ccccc2o1,Cumarin_Tonka bean camphor_Nci-c07103_Coumarinum_O-hydroxycinnamic acid lactone_NSC-8774_Lodema_Coumarin (prohibited)_Coumarin_1,2-benzopyrone_Coumarinic lactone_Cis-o-coumarinic acid lactone_,,,,,,,
CHEMBL23,C05AE03_C08DB01_,1,3.37,2,1.89,2.73,12.86,8.18,414.53,6,6,0,0,29,NEUTRAL,414.53,414.1613,0,0,59.08,0.68,N,6,TRUE,TRUE,FALSE,0,FALSE,0,COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1,Ditiaz_Diltiazem extended release_Cardizem_Tiazac_Diltzac_Diltiazem_Tiamate_Dilt-CD_Surazem_,,,,,,,,
CHEMBL24,C07AB03_,0,0.45,1,-1.8,0.43,None,9.67,266.34,4,5,3,4,19,BASE,266.34,266.163,0,0,84.58,0.64,N,8,TRUE,TRUE,FALSE,0,FALSE,1,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,Tenormin 25_Ibinolo_Corotenol_Juvental_Atenololum_Duraatenolol_Myocord_Antipressan_Urosin_Unibloc_NSC-757832_Atenix-25_Novaten_Betacard_ICI 66082_Kentol_C07AB03_Totamol_Prenormine_Atenix-100_Tenormin_Atenolol_ICI 66,082_Tenormin l.s._ICI-66082_Vasaten_Atenix-50_Esatenolol_Atenamin_,,,,,,,
CHEMBL25,B01AC06_N02BA01_N02BA51_A01AD05_N02BA71_,2,1.31,1,-2.16,1.24,3.41,None,180.16,3,4,1,1,13,ACID,180.16,180.0423,0,0,63.6,0.55,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)Oc1ccccc1C(=O)O,Benzoic acid, 2-(acetyloxy)-_Enprin_Vazalore_Acetylsalicylic acid (who-ip)_Danamep_Nu-seals 600_Disprin direct_Nu-seals 300_Alka rapid_Acetylsalicylicum acidum_Angettes 75_BAY1019036_8-hour bayer_Ecotrin_Disprin cv_Acetylsalicylic acid_Postmi 300_Postmi 75_Salicylic Acid Acetate_Acidum acetylsalicylicum_NSC-27223_Paynocil_Max strgh aspro clr_Equi-Prin_Gencardia_Levius_Acetylsalicylic Acid_Nu-seals 75_Bayer extra strength aspirin for migraine pain_Anadin all night_Aspro clr_Aspirin_Acetylsalic acid_NSC-406186_Nu-seals cardio 75_Acetyl salicylate_Measurin_Micropirin ec_Durlaza_Platet 300_Platet_Acetosalic Acid_,,,,,,,
CHEMBL422,N05AB06_,2,4.95,2,3.97,4.66,None,7.99,407.51,4,3,0,0,28,NEUTRAL,407.51,407.1643,0,0,9.72,0.71,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,NSC-17474_Stelazine fte_Amylozine_NSC-46061_RP-7623_Flurazine_Trifluoperazine_Apo-trifluoperazine_Stelazine_,,,,,,,,
CHEMBL26,N05AL01_,0,0.56,1,-0.7,0.22,10.24,8.39,341.43,5,7,2,3,23,NEUTRAL,341.43,341.1409,0,0,101.73,0.79,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,RD-1403_N05AL01_NSC-757850_Dolmatil_Sulpiride_Dogmatyl_,,,,,,,,
CHEMBL423,S01ED52_C07AB05_S01ED02_,0,2.39,1,0.31,2.54,None,9.67,307.43,4,4,2,2,22,BASE,307.43,307.2147,0,0,50.72,0.62,N,11,TRUE,FALSE,TRUE,0,FALSE,0,CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,Betaxolol_Betoptic susp_Kerlone_ALO-140102 FREE BASE_SL-7521210 FREE BASE_Kerledex_Betoptic_,,,,,,,,
CHEMBL424,S01BC08_D01AE12_,2,1.09,1,-1.52,1.98,2.79,None,138.12,2,3,2,2,10,ACID,138.12,138.0317,0,0,57.53,0.61,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)c1ccccc1O,Compound v_Dr. scholl's callus removers_Dr. scholl's corn removers_Edinburgh_Salicylic acid soap_Phytocil_Advanced pain relief callus removers_Bazuka_Salicylic acid rs_Dr. scholl's wart remover kit_Ionil-plus_Occlusal_Compound w_Stri-dex_Verrugon_Advanced pain relief com removers_Erytex_Metanium_Pyralvex_Toepedo_Salactol_FEMA NO. 3985_Lamivudine impurity, salicylic acid-_Posalfilin_Duofilm_Salicylic Acid_Acnisal_NSC-180_Duofilm wart remover_Freezone_Clear away wart remover_Jadit_K-557_Salicylic acid_Necol_Saligel_Thwart_Noxacorn_Wartex_Salatac_Cuplex verruca_Phytex_2-Hydroxy-benzoic acid_Keralyt_Duoplant_Lamivudine related compound salicylic acid_Ionil_Phiso-clear_Gppe paint_,,,,,,,
CHEMBL425,A07EC03_,2,2.91,2,-2.49,4.39,2.93,None,302.24,6,8,4,4,22,ACID,302.24,302.0539,0,0,139.78,0.64,N,4,TRUE,FALSE,FALSE,1,FALSE,0,O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O,Olsalazine_Dipentum_C. i. mordant yellow 5_,,,,,,,,
CHEMBL27,C07AA05_,0,2.58,2,0.36,2.58,None,9.67,259.35,3,3,2,2,19,BASE,259.35,259.1572,0,0,41.49,0.84,N,6,TRUE,TRUE,FALSE,0,FALSE,1,CC(C)NCC(O)COc1cccc2ccccc12,Dl-propranolol_Inderide-80/25_Inderide-40/25_Inderal_Propranolol_AY-64043-_Euprovasin_Betalong_Proprasylyt_Reducor_.beta.-propranolol_,,,,,,,,
CHEMBL6995,C07AB01_,0,1.38,1,-1.39,0.83,None,9.67,266.34,4,5,3,3,19,BASE,266.34,266.163,0,0,70.59,0.7,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,AY-21,011_AY-21011_I.C.I. 50,172_I.C.I.-50,172_[3-(4-Acetylamino-Phenoxy)-2-Hydroxy-Propyl]-Isopropyl-Ammonium_Eraldin_Practolol_Dalzic_ICI-50172_,,,,,
CHEMBL427,L01AA05_,2,1.4,0,1.5,1.52,None,6.08,156.06,1,1,0,0,8,NEUTRAL,156.06,155.0269,0,0,3.24,0.56,N,4,FALSE,TRUE,TRUE,0,FALSE,1,CN(CCCl)CCCl,Mechlorethamine_NSC-757087_NSC-128663_Nitrogen mustard (hn 2)_Chlorethazine_Mustargen_Chlormethine_NSC-10107_,,,,,,,,
CHEMBL29,J01CE01_S01AA14_,1,0.86,1,-2.29,1.08,3.53,None,334.4,4,6,2,2,23,ACID,334.4,334.0987,0,0,86.71,0.8,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,J01CE01_Penicillin-2_Pfizerpen-AS_Crystapen g_Penicillin g_Benzyl penicillin_Permapen_Penicillin G_Benzylpenicillin _Benzylpenicillin_Bicillin_NSC-193396_,,,,,,,,
CHEMBL428,J01MA13_,1,1.89,3,0.14,0.14,5.22,9.44,416.36,6,7,2,3,30,ZWITTERION,416.36,416.1096,0,0,101.45,0.68,N,3,FALSE,FALSE,FALSE,0,FALSE,0,N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12,Trovafloxacin_CP-99219_,,,,,,,,
CHEMBL30,A02BA51_A02BA01_,2,0.6,1,-0.22,-0.11,13.38,6.91,252.35,4,6,3,3,17,NEUTRAL,252.35,252.1157,0,0,88.89,0.23,N,5,TRUE,TRUE,FALSE,0,FALSE,0,CN/C(=N/CCSCc1nc[nH]c1C)NC#N,Tagamet hb_Ulcimet_Ultec_Tagamet hb 200_Tagamet_Tagadine_Peptimax 200_Acitak 800_Peptimax 800_Brumetadina_Gastromet_Acid-eze_Aciloc_SKF-92334_Acinil_NSC-335308_Cimetidinum_Acitak 200_Brumetidina_Acitak 400_Ulcomedina_Galenamet_Ulcedin_Kentamet_Zita_Peptimax 400_Dyspamet_Stomedine_Cimal_Cimetidine_Valmagen_Tagamet 100_,,,,,,,,
CHEMBL31,S01AE06_J01MA16_,0,1.98,2,-0.61,-0.61,5.49,8.73,375.4,6,7,2,2,27,ZWITTERION,375.4,375.1594,0,0,83.8,0.85,N,4,TRUE,TRUE,TRUE,0,TRUE,0,COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,Zymaxid_Zymar_Gatifloxacin anhydrous_BMS-206584-01_Zymer_Gatifloxacin sesquihydrate_Tequin_AM-1155_PD-135432_Gatifloxacin_Gatifloxacin hydrate_BMS-20658401_Gatifloxacin (sesquihydrate)_NSC-758701_Gatiflo_,,,,,,,,
CHEMBL429,C07AG01_,0,2.14,2,1.26,1.89,8.05,9.8,328.41,4,5,4,5,24,BASE,328.41,328.1787,0,0,95.58,0.6,N,8,TRUE,TRUE,FALSE,0,FALSE,0,CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,Normozide_Normodyne_AH-5158A FREE BASE_Trandate_Labetalol_SCH-15719W FREE BASE_Ibidomide_,,,,,,,,
CHEMBL32,J01MA14_S01AE07_,1,2.37,2,-0.5,-0.5,5.49,9.42,401.44,6,7,2,2,29,ZWITTERION,401.44,401.1751,0,0,83.8,0.82,N,4,TRUE,TRUE,TRUE,0,FALSE,1,COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,Vigamox_Moxifloxacin_Avelox_Avelox i.v._Zimoxin_Avelox iv_,,,,,,,,
CHEMBL33,S01AE05_J01MA12_,1,1.54,2,-0.47,0.51,5.29,6.16,361.37,6,7,1,1,26,ACID,361.37,361.1438,0,0,75.01,0.87,N,2,TRUE,TRUE,TRUE,0,FALSE,1,C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,Evoxil_Ofloxacin s-(-)-form_Quixin_Levaquin_Levofloxacin_RWJ-25213_Levofloxacin hemihydrate_Tavanic_Cravit_Nofaxin_Levofloxacin anhydrous_Iquix_Floxacin_NSC-758709_Volequin_Ofloxacin, (s)-_Quinsair_Oftaquix_DR-3355_L-ofloxacin_Ofloxacin s-(-)-form hemihydrate_Levofloxacin (as hemihydrate)_Levofloxacin hydrate_,,,,,,,
CHEMBL430,J01MA15_,0,0.97,2,-0.91,-0.91,5.35,9.23,389.39,8,9,2,3,28,ZWITTERION,389.39,389.1499,0,0,123.04,0.73,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN,Factiv_Gemifloxacin_,,,,,,,,
CHEMBL431,C09AA11_,1,2.39,1,-0.03,1.6,3.62,5.2,466.63,7,7,2,2,31,ACID,466.63,466.1596,0,0,95.94,0.54,N,9,TRUE,FALSE,FALSE,1,FALSE,0,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2,Spirapril_,,,,,,,,
CHEMBL433,,2,2.29,0,0.56,2.8,5.14,None,166.2,1,2,1,1,10,ACID,144.21,144.115,0,0,37.3,0.64,N,5,FALSE,TRUE,FALSE,0,FALSE,1,CCCC(CCC)C(=O)[O-].[Na+],Episenta_Selenica_Epilim chronosphere_Depakine_Valproic acid, sodium salt_Epilim iv_Valproate sodium_Sodium valproate_Epilim 200_Depakote ER_NSC-732626_Epilim 500_Epilim_Epilim chrono 500_Orlept_Sodium 2-propylpentanoate_ABBOTT-44090_Epilim chrono 200_KW-6066N_NSC-757376_Kentilim_Depakote CP_A-44090_Valproic acid, sodium_Delepsine_Orfiril_Depakote_Epilim chrono 300_Depacon_ABBOTT 44090_Natrii valproas_Valproic acid sodium salt (1:1)_,,,,,,
CHEMBL434,C01CA02_R03CB51_R03AB02_R03CB01_,0,1.13,1,-0.99,0.24,9.81,8.96,211.26,4,4,4,4,15,BASE,211.26,211.1208,0,0,72.72,0.56,N,4,FALSE,TRUE,TRUE,0,FALSE,0,CC(C)NCC(O)c1ccc(O)c(O)c1,Asmalar_Novodrin_NSC-9975_Saventrine_Aludrine_Isoproterenol dl-form_Isoproterenol_NSC-33791_Vapo-n-iso_Asiprenol_A-21_Isoprenaline_Isorenin_Bellasthman_Proternol_Isopropydrin_Neo-epinine_Assiprenol_Isonorin_Isupren_Aleudrin_Respifral_Neodrenal_,,,,,,,,
CHEMBL435,C03AX01_C03AA03_,2,-0.35,1,-0.58,-0.58,9.09,None,297.75,5,7,3,4,17,NEUTRAL,297.75,296.9645,0,0,118.36,0.65,N,1,TRUE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,Hydrosaluric_Zide_Imprida-hct_Oretic_Hydrochlorothiazide_Chlorosulthiadil_Hydrochlorothiazidum_Lotensin hct_Pantemon_Hydrochlorothiazide intensol_Apresazide_Rasilez-hct_Hydrochlorothiaizide_Esidrex_NSC-53477_Servithiazid_Hctz_SU-5879_Esidrix_Vetidrex_Carozide_Copalia-hct_Dafiro-hct_Megadiuril_Idrotiazide_Hydro-d_Newtolide_Exforge-hct_Microzide_Dihydrochlorurite_Unipres_Hidrotiazida_Hydrodiuril_Apo-hydro_,,,,,,,,
CHEMBL35,C03CA01_,2,1.89,2,-1.25,1.75,4.25,None,330.75,5,7,3,4,21,ACID,330.75,330.0077,0,0,122.63,0.77,N,5,TRUE,TRUE,FALSE,0,FALSE,1,NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,Furosemide_Aluzine 500_LB-502_Tenkofruse_Furosemidum_Logirene_Rusyde_Aluzine 20_Frumil_Lasix ret_Frusid_Aluzine 40_Lasix_Hydroled_Mirfat_Frusetic_Marsemide_Frumax_Diuresal_Disal_Frusol_Froop_Frusemide_Dryptal_Aquamed_NSC-269420_Oedemex_,,,,,,,,
CHEMBL36,P01BD01_P01BD51_,2,2.52,2,2.23,2.75,None,7.77,248.72,4,4,2,4,17,NEUTRAL,248.72,248.0829,0,0,77.82,0.86,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,NSC-3061_Pyrimethamine_Malacide_RP-4753_TCMDC-125860_Chloridine_TCMDC-123831_GNF-PF-5586_Chloridin_Pyrimethaminum_Daraprim_WR-2978_,,,,,,,,
CHEMBL436,A10XA01_,2,3.56,2,0.16,3.35,3.95,None,357.35,3,4,1,1,24,ACID,357.35,357.0646,0,0,49.77,0.85,N,4,FALSE,FALSE,FALSE,0,TRUE,0,COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F,AY-27773_AY-27,773_Tolrestat_Alderase_Alredase_,,,,,,,
CHEMBL437,D06BA02_J01EB07_,2,1.53,2,0.5,0.98,6.93,2.04,255.32,5,5,2,3,16,NEUTRAL,255.32,255.0136,0,0,85.08,0.81,N,3,FALSE,FALSE,TRUE,0,TRUE,0,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,NSC-683531_NSC-31812_Sulphathiazole_Triple sulfa (sulfathiazole)_Thiazamide_Sulfathiazole_Sulfathiazole (triple sulfa)_,,,,,,,,
CHEMBL438,D06BA06_J01ED07_,2,1.17,2,0.08,0.52,6.99,2,264.31,5,6,2,3,18,NEUTRAL,264.31,264.0681,0,0,97.97,0.81,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,Mesulfa_Sulfamerazine (trisulfapyrimidines)_Methypyrimal_Sulfamerazine_Sulphamerazine_Sulfamethyldiazine_Sumedin_NSC-27259_,,,,,,,,
CHEMBL439,J01EC02_,2,0.86,2,-0.05,0.39,6.99,2.01,250.28,5,6,2,3,17,NEUTRAL,250.28,250.0524,0,0,97.97,0.79,N,3,TRUE,TRUE,TRUE,0,FALSE,0,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,NSC-35600_Sildaflo_SSD_Silvadene_Sulfacombin_Diazyl_Sulfapyrimidine_Sulfadiazine_Coco-diazine_Thermazene_Sulphadiazine_Sulfolex_Sulfadiazine (trisulfapyrimidines)_Adiazine_,,,,,,,,
CHEMBL440,,0,1.93,0,2.25,2.91,6.66,None,254.35,2,4,2,1,17,NEUTRAL,254.35,254.1089,0,0,58.53,0.45,N,5,FALSE,TRUE,FALSE,0,FALSE,0,C=CCC1(C(C)CCC)C(=O)N=C(S)NC1=O,Thiamylal_NSC-120815_,,,,,,,,
CHEMBL441,N01AF03_N05CA19_,0,1.35,0,2.38,2.78,7.2,None,242.34,3,4,2,2,16,NEUTRAL,242.34,242.1089,0,0,58.2,0.58,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,Thiopental_Thiopental ciii_,,,,,,,,
CHEMBL268164,N05CA10_,2,1.25,0,1.03,1.47,7.14,None,236.27,3,5,2,2,17,NEUTRAL,236.27,236.1161,0,0,75.27,0.56,N,2,FALSE,FALSE,FALSE,0,TRUE,0,CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O,Phanodorn_Hexemal_Cyclobarbital_Cyclobarbitone_,,,,,,,,
CHEMBL442,N02CA72_N02CA02_N02CA52_,1,1.99,3,2.17,2.6,9.69,7.78,581.67,6,10,3,3,43,NEUTRAL,581.67,581.2638,1,1,118.21,0.43,N,4,TRUE,FALSE,TRUE,0,FALSE,1,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,Ergotamine Tartrate_NSC-95090_Ergotamine_,,,,,,,,
CHEMBL38,D10AD51_L01XF01_D10AD01_,2,5.6,0,2.42,5.01,4.76,None,300.44,1,2,1,1,22,ACID,300.44,300.2089,1,1,37.3,0.53,N,5,TRUE,FALSE,TRUE,0,FALSE,1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,Vesanoid_Atralin_Aberel_Retin-a micro_Renova_Tretinoin_NSC-122758_Retin-a_Tretin-X_Retinoic acid_Altreno_Acticin_All-trans retinoic acid_Kerlocal_Avita_Oristar rna_Retin a_Retin-a-micro_All-trans-retinoic acid_Eudyna_,,,,,,,,
CHEMBL7413,N01AF01_N05CA15_,0,1.31,0,2.12,2.29,7.73,None,262.31,3,5,1,1,19,NEUTRAL,262.31,262.1317,0,0,66.48,0.47,N,3,FALSE,TRUE,FALSE,0,FALSE,1,C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O,Methohexital civ_Methohexital_Methohexitone_,,,,,,,,
CHEMBL40,N03AA02_,2,0.7,1,0.96,1.41,7.14,None,232.24,3,5,2,2,17,NEUTRAL,232.24,232.0848,0,0,75.27,0.74,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,Solfoton_Luminal_Phenobarbital_Phenylethylmalonylurea_Phenemal_Talpheno_Phenobarbitone_NSC-128143-_NSC-128143_NSC-9848_Phenobarbital civ_Noptil_Eskabarb_,,,,,,,,
CHEMBL41,N06AB03_,0,4.44,2,1.83,4.17,None,9.8,309.33,2,2,1,1,22,BASE,309.33,309.134,0,0,21.26,0.85,N,6,TRUE,FALSE,FALSE,0,FALSE,1,CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,Symbyax_NSC-283480_Fluoxetine_Fluoxetin ratiopharm_Fluval_Prozac_NSC-758685_Sarafem_,,,,,,,,
CHEMBL443,J01EC01_,2,1.37,2,0,0.79,6.16,1.97,253.28,5,6,2,3,17,ACID,253.28,253.0521,0,0,98.22,0.8,N,3,TRUE,TRUE,FALSE,0,FALSE,0,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,Sulphamethoxazole_Sulfamethoxazole sodium_Acetylsulfamethoxazole_Sinomin_Gantanol_RO-4-2130_Gantanol-ds_Sulfamethoxazolum_Suphamethoxazole_NSC-147832_STX-608_Urobak_Sulfamethoxazole_RO 4-2130_,,,,,,,,
CHEMBL444,N05CA04_,2,0.16,0,0.46,0.72,7.48,None,184.19,3,5,2,2,13,NEUTRAL,184.19,184.0848,0,0,75.27,0.6,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CCC1(CC)C(=O)NC(=O)NC1=O,Diemal_Barbital_Barbitone_Diethylbarbituric acid_NSC-31352_,,,,,,,,
CHEMBL42,N05AH02_,2,3.72,2,3.12,3.4,None,7.35,326.83,4,4,1,1,23,NEUTRAL,326.83,326.1298,0,0,30.87,0.8,N,0,TRUE,FALSE,FALSE,0,FALSE,1,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,Clozapine (mylan)_Clozapine (udl)_Versacloz_Leponex_Clozaril_Clozapine (ivax)_HF 1854_NSC-757429_Clozapine_Clozapine resolution mixture_Fazaclo_Fazaclo odt_Zaponex_Clozapine (caraco)_Clozapine (teva)_HF-1854_Clozapine (versacloz)_Clozapine (fazaclo)_Clozapine (clozaril)_,,,,,,,,
CHEMBL445,N06AA10_,2,3.83,2,1.58,4.43,None,10.47,263.38,1,1,1,1,20,BASE,263.38,263.1674,0,0,12.03,0.83,N,3,TRUE,FALSE,FALSE,0,FALSE,1,CNCCC=C1c2ccccc2CCc2ccccc21,Desitriptilina_Motipress_Allegron_NSC-757234_Motival_Pamelor_Nortriptyline_Noramitriptyline_NCI-169453_Nortrilen_Sesaval_Aventyl_Lumbeck_,,,,,,,,
CHEMBL446,J01EB03_,2,1.48,2,0.21,0.65,6.99,2,278.34,5,6,2,3,19,NEUTRAL,278.34,278.0837,0,0,97.97,0.83,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,Sulfadimidine_NSC-683529_Sulfamezathine ('s-mez')_Sulfamethazine_Sulfadimidinum_NSC-67457_Sulfamethazine (trisulfapyrimidines)_Sulfamidine_Sulfadimethylpyrimidine_Sulfamezathine_BN-2409_Smz-Med 454_Sulfadimerazine_,,,,,,,,
CHEMBL447,N05CA06_,0,1.35,0,1.77,2.03,7.48,None,238.29,3,5,2,2,17,NEUTRAL,238.29,238.1317,0,0,75.27,0.56,N,5,TRUE,TRUE,TRUE,0,TRUE,0,C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O,(rs)-secobarbital_Immenox_Seconal_Secobarbitone_Secobarbital sodium free acid_Quinalbarbital_Secobarbital_Evronal_Somatarax_Hypotrol_Meballymal_Secobarbital cii_,,,,,,,,
CHEMBL448,N05CA01_,0,1.18,0,1.64,1.89,7.48,None,226.28,3,5,2,2,16,NEUTRAL,226.28,226.1317,0,0,75.27,0.71,N,4,TRUE,TRUE,TRUE,0,TRUE,0,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,NSC-28708_Pentobarbitone_Nembutal_Pentobarbital calcium_Mebumal_Pentobarbital_Mebubarbital_Pentobarbital cii_,,,,,,,,
CHEMBL267894,N05CA02_,0,1.39,0,-1.27,2.26,1.03,None,226.28,2,5,2,2,16,ACID,226.28,226.1317,0,0,78.76,0.71,N,4,FALSE,FALSE,FALSE,0,TRUE,0,CCC1(CCC(C)C)C(=O)N=C(O)NC1=O,Amobarbital cii_Pentymal_Amylobarbitone_Amobarbital_NSC-10815_Isomytal_Amytal_,,,,,,,,
CHEMBL449,,0,0.79,0,1.19,1.45,7.48,None,212.25,3,5,2,2,15,NEUTRAL,212.25,212.1161,0,0,75.27,0.68,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CCC(C)C1(CC)C(=O)NC(=O)NC1=O,Medarsed_Secbutobarbitone_Nilox_Secbutabarbital_Unicelles_Sec-butobarbitone_Butabarbital_Butatab_Butabarbital ciii_,,,,,,,,
CHEMBL450,N03AA30_,2,0.5,0,0.78,0.94,7.75,None,198.22,3,5,1,1,14,NEUTRAL,198.22,198.1004,0,0,66.48,0.66,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CCC1(CC)C(=O)NC(=O)N(C)C1=O,Metharbital ciii_Gemonil_NSC-27156_Metharbital_Metharbitone_Endiemal_,,,,,,,,
CHEMBL451,N05BA02_,2,2.95,2,1.81,0.19,-2.69,7.06,299.76,3,4,1,1,21,ACID,299.76,299.0825,0,0,50.46,0.65,Y,1,TRUE,TRUE,FALSE,0,FALSE,1,CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,Clopoxide_Chlordiazepoxide civ_Librium_Lygen_Zeisin_Librelease_Libritabs_Trakipeal_Chlordiazepoxide_Chlordiazachel_A-Poxide_Sarlib_,,,,,,,,
CHEMBL452,N03AE01_,2,3.04,2,3.15,3.15,11.65,1.89,315.72,4,6,1,1,22,NEUTRAL,315.72,315.0411,0,0,84.6,0.68,N,2,TRUE,FALSE,FALSE,0,FALSE,1,O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1,NSC-179913_RO-54023_Clonazepam civ_Klonopin_RO 5-4023_Klonopin rapidly disintegrating_Rivatril_Ravotril_Rivotril_RO-5-4023_Clonazepam_,,,,,,,,
CHEMBL453,J01EB05_S01AB02_,2,1.67,2,-0.14,0.73,5.8,2.17,267.31,5,6,2,3,18,ACID,267.31,267.0678,0,0,98.22,0.82,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,Pediazole_Sosol_Gantrisin_Soxazole_NSC-683536_Entusil_NSC-13120_Neazolin_Sulfalar_Sulphafurazole_Sulfafurazole_Sulfisoxazole_Eryzole_Sulsoxin_,,,,,,,,
CHEMBL268869,J01ED05_,2,0.87,2,-0.05,0.47,6.84,2.02,280.31,6,7,2,3,19,NEUTRAL,280.31,280.063,0,0,107.2,0.8,N,4,FALSE,FALSE,FALSE,0,TRUE,0,COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,Sulfasuxidine_Depovernil_Lederkyn_Midicel_CL-13494_Sulfamethoxypyridazine_Succinylsulfathi_Retasulphine_Sulfamethoxypyridazinum_Sulphamethoxypyridazine_NSC-757875_,,,,,,,,
CHEMBL454,,2,0.96,0,1.33,1.59,7.48,None,224.26,3,5,2,2,16,NEUTRAL,224.26,224.1161,0,0,75.27,0.55,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O,Itobarbital_Sandoptal_Tetrallobarbital_Butalbital ciii_Butalbital_Alisobumal_Allylbarbituric acid_,,,,,,,,
CHEMBL455,S01AB04_D10AF06_,2,0.09,1,-1.2,-0.26,4.3,2.14,214.25,4,5,2,3,14,ACID,214.25,214.0412,0,0,89.26,0.68,N,2,FALSE,FALSE,TRUE,0,FALSE,0,CC(=O)NS(=O)(=O)c1ccc(N)cc1,Ocusulf-10_Sulfacel-15_Sulfacetamidum_Sulphacetamide_Sulster_Triple sulfa (sulfacetamide)_Urosulfon_Ocusulf-30_NSC-63871_SULF-10_Bleph-10_SULF-15_Sulfacetamide_Bleph-30_Sulfacetamide (triple sulfa)_Cetamide_Sulfair-15_Sulten-10_FML-S_Klaron_,,,,,,,,
CHEMBL43,L01XX01_,2,4.51,4,2.16,3.16,10.82,8.44,393.47,5,6,2,2,28,NEUTRAL,393.47,393.1147,0,0,80.32,0.49,N,5,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,Amsidil_Amsacrine_Amsidine_Acridinylanisidide_NCI-249992_Amsidyl_Lamasine_SN-21429_NSC-249992_SN-11841_CI-880_Amekrin_M-AMSA_NSC-156303_,,,,,,,,
CHEMBL456,C03CC01_,2,3.61,1,0.16,3.66,2.8,None,303.14,3,4,1,1,19,ACID,303.14,302.0113,0,0,63.6,0.64,N,6,TRUE,TRUE,FALSE,0,FALSE,0,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,Ethacrynate_Edecrin_MK-595_Hydromedin_NSC-624008_Etacrynic acid_NSC-85791_Ethacrynic acid_Reomax_,,,,,,,,
CHEMBL457,C10AB04_,2,3.57,1,1.51,4.39,4.42,None,250.34,2,3,1,1,18,ACID,250.34,250.1569,0,0,46.53,0.78,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,CI-719_Gemfibrozil_Lopid_NSC-757024_Emfib_,,,,,,,,
CHEMBL45,N05CH01_,2,1.86,2,1.15,1.15,None,None,232.28,2,4,2,2,17,NEUTRAL,232.28,232.1212,0,0,54.12,0.84,N,4,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc2[nH]cc(CCNC(C)=O)c2c1,Health aid_J5.258B_Circadin_Icenia_Vespro_Nature's blend_Natures bounty_Melatonine_Melovine_Natrol_Heidadouppi_Tartrol_Melatol_N-(2-(5-Methoxy-1H-Indol-3-Yl)Ethyl)Acetamide_NSC-56423_NSC-113928_Melapure_5-methoxy n-acetyl-tryptamine_Life ext_S.gard_Melatonin_Regulin_Travelag_BCI-049_NSC-302012_Quality health_N-Acetyl-5-Methoxytryptamine_Vytalonin_General nutrit_,,,,,,,,
CHEMBL8085,B05XB03_,1,-0.47,0,-4.98,-3.21,2.74,10.29,146.19,3,4,3,5,10,ZWITTERION,146.19,146.1055,0,0,89.34,0.46,N,5,FALSE,FALSE,FALSE,0,FALSE,0,NCCCC[C@H](N)C(=O)O,Lysine_,,,,,,,,
CHEMBL266510,,1,4.53,2,4.23,4.23,11.56,None,359.71,2,3,1,1,24,NEUTRAL,359.71,359.0336,0,0,38.33,0.8,N,2,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21,Flindokalner_BMS-204352-01_BMS-204352_Maxipost_,,,,,,,,
CHEMBL46,A04AA01_,0,3.13,3,2.11,2.35,None,7.34,293.37,4,4,0,0,22,NEUTRAL,293.37,293.1528,0,0,39.82,0.73,N,2,TRUE,TRUE,FALSE,0,FALSE,0,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,Ondansetron_A04AA01_Zofran odt_EUR-1025_GR-38032F_NSC-757870_Desmethylondansetron_GR-38032_Zuplenz_Zofran_,,,,,,,,
CHEMBL49,N05BE01_,2,2.09,1,1.35,1.78,None,7.62,385.51,6,7,0,0,28,NEUTRAL,385.51,385.2478,0,0,69.64,0.55,N,6,TRUE,FALSE,FALSE,0,FALSE,0,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,Gen-buspirone_Buspar_Buspirone_BCI-024_,,,,,,,,
CHEMBL51,C02KD01_,2,2.42,3,3.36,3.61,11.82,7.29,395.43,5,6,1,1,29,NEUTRAL,395.43,395.1645,0,0,75.17,0.67,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,R-49945_Ketanserin tartrate_Sufrexal_NSC-758959_R-41468_KJK 945_Serepress_Ketanserin_Perketan_R 49945_R-41,468_,,,,,,,
CHEMBL459,C02AB01_,1,0.44,1,-1.37,-1.36,1.73,9.85,211.22,4,5,4,5,15,ZWITTERION,211.22,211.0845,0,0,103.78,0.54,N,3,TRUE,FALSE,FALSE,0,FALSE,0,C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O,(-)-.alpha.-methyldopa_NSC-169916_Metalpha 250_Methyldopa anhydrous_BAYER-1440L_J9.247I_Methyldopa sesquihydrate_Methyldopa (levorotatory)_Dopamet_Methyldopa, anhydrous_Medomet_Alpha-methyldopa_(s)-(-)-.alpha.-methyldopa_Methyldopa hydrate_.alpha.-methyl-l-dopa_Aldomet_Methyldopa_Metalpha 500_MK-351_L-.alpha.-methyldopa_NSC-760080_Lederdopa_Anhydrous methyldopa_,,,,,,,
CHEMBL460,N05AE02_,0,1.96,1,1.96,2.04,None,6.65,276.38,3,4,1,1,20,NEUTRAL,276.38,276.1838,0,0,45.33,0.92,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,Spn-810_Moban_Molindone_,,,,,,,,
CHEMBL53,N04BC07_G04BE07_,1,2.85,2,2.58,2.88,9.26,7.72,267.33,3,3,2,2,20,NEUTRAL,267.33,267.1259,0,0,43.7,0.72,Y,0,FALSE,TRUE,FALSE,0,FALSE,0,CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,APL-130277_Apomorphinum_6a.beta.-aporphine-10,11-diol_Apomorphine_VR040_VR-040_,,,,,,,
CHEMBL54,N05AD01_,2,4.43,2,2.93,3.66,13.96,8.05,375.87,3,3,1,1,26,NEUTRAL,375.87,375.1401,0,0,40.54,0.76,N,6,TRUE,FALSE,FALSE,0,FALSE,1,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,Haloperidol_Keselen_Dozic_MCN-JR-1625_Dolpin_NSC-170973_R-1625_Haldol solutab_Serenace_Haldol_NSC-615296_Kentace_Haloperidol decanoate impurity, haloperidol-_Fortunan_,,,,,,,
CHEMBL55,,2,2.88,2,-2.5,2.32,None,12.13,340.43,4,6,4,6,25,BASE,340.43,340.1899,1,0,118.2,0.3,N,10,FALSE,TRUE,TRUE,0,FALSE,0,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,Pentacarinat_MB 800 [AS ISETHIONATE]_Nebupent [as isethionate]_Pentacarinat [as isethionate]_Pentamidine isetionate_MB-800 FREE BASE_RP 2512 [AS ISETHIONATE)_Pentam 300 [as isethionate]_Mp-601205_RP-2512 FREE BASE_MB-800 (AS ISETHIONATE)_Pentamidine_MB 800 FREE BASE_GNF-Pf-3680_NSC-9921_RP-2512_RP 2512 FREE BASE_Pentam 300_MB-800_,,,,,,,,
CHEMBL464,D05BB01_,2,5.65,1,6.32,6.32,None,None,354.49,3,3,0,0,26,NEUTRAL,354.49,354.2195,1,1,35.53,0.36,N,7,TRUE,FALSE,FALSE,0,TRUE,0,CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C,RO-10-9359_Etretinate_NSC-297936_RO 10-9359_Tigason_RO-109359_Acitretin related compound b_Tegison_,,,,,,,,
CHEMBL57,J05AG01_,2,2.65,2,2.49,2.49,None,3.28,266.3,4,5,1,1,20,NEUTRAL,266.3,266.1168,0,0,58.12,0.86,N,1,TRUE,FALSE,FALSE,0,FALSE,1,Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1,BIRG 0587_NSC-641530_Viramune_Viramune xr_BIRG-0587_Nevirapine_Nevirapine, anhydrous_Nevirapinum anhydrous_Nevirapine anhydrous_Nevirapine teva_,,,,,,,
CHEMBL465,A04AD10_,1,5.74,1,5.94,5.94,9.34,None,314.47,2,2,1,1,23,NEUTRAL,314.47,314.2246,1,1,29.46,0.57,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,SP 104_Dronabinol_Delta-9-thc_J882F_Marinol_QCD-84924_Syndros_Tetrahydrocannabinol_Tetrahydrocannabinols (-)-trans-.delta.9-form_.delta.1-thc_NSC-134454_.delta.9-tetrahydrocannabinol_SP-104_.delta.-9-tetrahydrocannabinol_QCD 84924_Delta-9-tetrahydrocannabinol_.delta.9-thc_ABBOTT-40566_ABBOTT 40566_,,,,,,,,
CHEMBL58,L01DB07_,2,-0.14,2,-1.09,0.75,8.21,9.22,444.49,10,10,8,8,32,BASE,444.49,444.2009,1,1,163.18,0.14,N,12,FALSE,TRUE,FALSE,0,FALSE,1,O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,Misostol_Novantrone_Mitoxantrone HCl_Mitoxantrone_NSC-279836_,,,,,,,,
CHEMBL59,C01CA04_,2,0.6,1,-1.45,0.03,10.01,9.27,153.18,3,3,3,4,11,BASE,153.18,153.079,0,0,66.48,0.54,N,2,FALSE,TRUE,FALSE,0,FALSE,0,NCCc1ccc(O)c(O)c1,Intropin_Sinemet_Dobutamine a_Carbilev_Medopa_Oxytyramine_NSC-173182_A-dopamine_Parcopa_Dopamine_,,,,,,,,
CHEMBL467,L01XX05_,2,-0.96,0,-1.37,-1.37,10.14,None,76.05,2,4,3,4,5,NEUTRAL,76.05,76.0273,0,0,75.35,0.26,N,0,TRUE,FALSE,FALSE,0,FALSE,1,NC(=O)NO,Hydrea_NSC-32065_Siklos_SQ-1089_SQ 1089_Hydroxycarbamide_Hydroxyurea_Droxia_,,,,,,,,
CHEMBL61,D06BB04_,1,2.41,2,1.62,1.62,None,None,414.41,8,8,1,1,30,NEUTRAL,414.41,414.1315,0,0,92.68,0.76,N,4,FALSE,FALSE,TRUE,0,FALSE,0,COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,Podofilox_NSC-24818_Warticon_Condyline_Condylox_Podophyllotoxin_,,,,,,,,
CHEMBL64,J04AC51_J04AC01_,2,-0.31,1,-0.69,-0.69,13.61,3.35,137.14,3,4,2,3,10,NEUTRAL,137.14,137.0589,0,0,68.01,0.32,N,1,TRUE,TRUE,FALSE,1,FALSE,1,NNC(=O)c1ccncc1,NSC-9659_Hidrasonil_Cotinazin_Hydrazid_Isonicotan_Isidrina_Cedin_Dianicotyl_Ertuban_Nydrazid_Stanozide_Isoniazid_Isonicotinylhydrazine_Atcotibine_Laniazid_Dow-isoniazid_Iscotin_Armazid_Ipcazide_Rimifon_Isobicina_Tisiodrazida_Isoniazidum_Teebaconin_Armazide_Neumandin_Eralon_Nicotibine_Mybasan_Hyzyd_,,,,,,,,
CHEMBL468,L04AX02_,0,0.09,1,0.02,0.02,11.59,None,258.23,4,6,1,1,19,NEUTRAL,258.23,258.0641,0,0,83.55,0.72,N,1,TRUE,FALSE,FALSE,0,FALSE,1,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,.alpha.-phthalimidoglutarimide_Thalomid_Pharmion_K-17_Myrin_Neurosedyn_NSC-527179_NSC-66847_Pantosediv_Softenon_Contergan_Thalidomide_Distaval_Thalidomide _Thaled_N-phthalylglutamic acid imide_Talidex_Celgene_,,,,,,,,
CHEMBL469,S01BC05_M01AB15_,0,2.29,2,-0.96,2.28,3.84,None,255.27,3,4,1,1,19,ACID,255.27,255.0895,0,0,59.3,0.86,Y,3,TRUE,TRUE,TRUE,0,FALSE,1,O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,Ketorolac_,,,,,,,,
CHEMBL9194,,1,4.69,2,1.71,1.76,3.02,8.17,510.63,6,8,1,1,37,ACID,510.63,510.273,1,1,88.54,0.44,N,12,FALSE,FALSE,FALSE,0,FALSE,0,CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1,A-127722_Atrasentan_,,,,,,,,
CHEMBL471,C07AA07_,0,1.09,1,-2.12,-0.4,10.07,9.43,272.37,4,5,3,3,18,BASE,272.37,272.1195,0,0,78.43,0.72,N,6,TRUE,TRUE,FALSE,0,FALSE,1,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,Dl-sotalol_Darob mite_Sotalol_Betapace_MJ-1999_C07AA07_Sorine_,,,,,,,,
CHEMBL472,A10BB01_,2,3.64,2,2.85,3.79,4.32,None,494.01,5,8,3,3,33,ACID,494.01,493.1438,0,0,113.6,0.52,N,8,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,HB 419_Semi-daonil_Glybenclamide_Diabeta_Cirara_Euglucon_Glyburide_Diabetamide 2.5_Glibenclamide_HB-419_Diabetamide 5_U-26,45_Glibenclamidum_U-26452_NSC-759618_Glynase Prestab_Libanil_Glynase_Gliken_Daonil_Malix_U-26,452_Lederglib_Calabren_Micronase_Glyburide (micronized)_,,,,,,
CHEMBL473,C01BD04_,2,1.98,2,-1.05,0.24,10.15,8.99,441.58,6,8,2,2,29,BASE,441.58,441.1392,0,0,104.81,0.55,N,11,TRUE,FALSE,FALSE,0,FALSE,1,CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1,UK-68,798_UK-68798_Dofetilide_Tikosyn_,,,,,,,
CHEMBL476,L01AX04_,2,0.07,1,-1.05,-0.43,6.64,1.72,182.19,4,7,2,3,13,NEUTRAL,182.19,182.0916,0,0,99.73,0.51,N,3,FALSE,TRUE,FALSE,0,FALSE,1,CN(C)/N=N/c1[nH]cnc1C(N)=O,DIC_NCI C04717_Biocarbazine r_Dacarbazine_Dicarbazine_DTIC_Dacarbazinum_NSC-45388_Dacarbasine_Dtic-dome_,,,,,,,,
CHEMBL477,C01EB10_,1,-1.98,2,-2.09,-2.09,12.45,3.94,267.25,9,9,4,5,19,NEUTRAL,267.25,267.0968,0,0,139.54,0.49,N,2,FALSE,TRUE,FALSE,0,FALSE,0,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,SR 96225_NSC-7652_Adenosine_Adenoscan_SR-96225_Adenocard_Adenocor_9-.beta.-d-ribofuranosyladenine_,,,,,,,,
CHEMBL479,N05AC02_,0,5.89,2,3.93,5.47,None,8.93,370.59,4,2,0,0,25,BASE,370.59,370.1537,1,1,6.48,0.62,N,4,TRUE,FALSE,FALSE,0,TRUE,1,CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,Melleril_TP-21_Thioridazine prolongatum_Sonapax_Mellaril_Rideril_Mellerette_Novoridazine_Mellaril-s_Thioril_Thioridazine_Dl-thioridazine_,,,,,,,,
CHEMBL480,A02BC03_A02BC53_,0,3.52,3,3.03,3.03,9.35,4.16,369.37,4,5,1,1,25,NEUTRAL,369.37,369.0759,0,0,67.87,0.75,N,5,TRUE,TRUE,FALSE,0,FALSE,0,Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1,Lanzor_Ogastoro_Prevacid iv_Prevacid Solutab_Ogast_Lansox_AG-1749_Limpidex_Prevacid Delayed Release_Opiren_Agopton_Zoton_A-65006_Prevacid_Prevonco_NSC-758638_Prevacid 24 hr_Takepron_Lansoprazole_Lanzoprazole_,,,,,,,,
CHEMBL481,L01CE02_,1,4.09,3,0.72,2.78,11.71,9.47,586.69,9,10,1,1,43,BASE,586.69,586.2791,1,1,114.2,0.36,N,4,FALSE,TRUE,FALSE,1,FALSE,1,CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,Irinotecan_Biotecan_Camptosar_NSC-728073_,,,,,,,,
CHEMBL70,N02AA51_A07DA52_N02AA01_,1,1.2,1,-0.6,0.9,10.26,9.12,285.34,4,4,2,2,21,BASE,285.34,285.1365,0,0,52.93,0.7,N,0,TRUE,TRUE,FALSE,0,FALSE,1,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,Ospalivina_Infumorph_Morphium_Morphine extended release_Depodur_Avinza_Morphia_Morphine anhydrous_Kadian_N02AA01_Anhydrous morphine_IDS-NM-009_Nepenthe_Morphine_Morphine polistirex_Morphine (anhydrous)_Hydromorphone hydrochloride impurity, morphine-_,,,,,,,
CHEMBL485,N02AA59_N02AA79_R05DA04_,1,1.5,1,-0.45,1.34,13.78,9.19,299.37,4,4,1,1,22,BASE,299.37,299.1521,0,0,41.93,0.8,N,1,TRUE,FALSE,FALSE,0,FALSE,1,COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,Codeine monohydrate_Codeine_Codeinum_Codeinum monohydricum_IDS-NC-005(SECT.-2)_Dea no. 9050_,,,,,,,,
CHEMBL71,N05AA01_,2,4.89,2,2.74,4.54,None,9.2,318.87,3,2,0,0,21,BASE,318.87,318.0957,0,0,6.48,0.79,N,4,TRUE,TRUE,TRUE,0,FALSE,1,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,Wintermin_NSC-226514_Propaphenin_Novomazina_NSC-167745_Megaphen_J2.794D_Sanopron_Chlorpromazinum_Fenactil_Chlorpromazine phenolphthalinate_Thorazine_Chlorpromazine_Chlorpromazine hibenzate_Aminazine_Elmarin_Largactil_Largactilothiazine_Chlorpromazine tannate_Esmind_Sonazine_SKF-2601A_,,,,,,,,
CHEMBL72,N06AA01_,2,3.53,2,1.37,3.9,None,10.02,266.39,2,2,1,1,20,BASE,266.39,266.1783,0,0,15.27,0.85,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CNCCCN1c2ccccc2CCc2ccccc21,Desipramine_N-desmethylimipramine_Imipramine, demethyl-_Monodemethylimipramine_Norimipramine_,,,,,,,
CHEMBL488,L02BG01_,0,1.35,1,1.3,1.3,11.69,4.28,232.28,3,4,2,3,17,NEUTRAL,232.28,232.1212,0,0,72.19,0.6,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,Aminoglutethimide_NSC-330915_Cytadren_Orimeten_,,,,,,,,
CHEMBL489,,2,5.7,3,4.67,5.69,9.45,8.66,387.52,3,3,1,1,29,BASE,387.52,387.2198,1,1,32.7,0.5,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,4-Hydroxytamoxifen_Afimoxifene_4-OHT_Tamogel_,,,,,,,,
CHEMBL74,,2,2.11,4,-5.57,1.48,1.55,None,512.33,9,11,3,3,34,ACID,468.37,468.0693,1,0,173.71,0.35,N,8,TRUE,FALSE,TRUE,0,FALSE,0,O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+],Lomusol_Astilyn_Cromosol optha_Resiston one_Vivicrom_Opticrom aq_Viz-on_Sodium cromoglycate_Cromoptic_Sodium cromolyn_Cusilyn_Catacrom_Cromosol_Brol-eze_Aspire_Cromolyn sodium_Nasalcrom_Murine_Crolom_Cromolyn_Dominion pharma hayfever_Allercrom_Rynacrom allergy_Nalcrom_NSC-109500_Glycavent_FPL-670_Rynacrom co_Cromogen e-breathe_Disodium cromolyn_Eye-crom_Gastrocrom_Natrii cromoglicas_Clariteyes_Cromoglycic acid_Gppe syncroner inha_Hay-crom_Cromogen_Intal 5_Lomudal_Opticrom_Steri-neb cromogen_Vividrin_Sodium cromoglicate_Aerocrom_Cromolyn disodium salt_Rynacrom_Cromolux_FPL.670_Intal_Cromoglicate sodium_Resiston treatment pack_,,,,,,,,
CHEMBL76,P01BA01_,0,4.81,2,0.88,3.93,None,10.32,319.88,3,3,1,1,22,BASE,319.88,319.1815,0,0,28.16,0.76,N,8,TRUE,TRUE,FALSE,0,FALSE,0,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,Chloroquine_Chlorochine_Aralen_NSC-187208_,,,,,,,,
CHEMBL490,N06AB05_,1,3.33,2,0.83,3.15,None,9.77,329.37,4,4,1,1,24,BASE,329.37,329.1427,0,0,39.72,0.93,N,4,TRUE,FALSE,FALSE,0,FALSE,1,Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,Arotin_Frosinor_Arketis_Paxil [as hydrochloride]_Fg-7051_Besitram_Xetanor_(-)3s,4r-paroxetine_Paroxetine_Daparox_BRL 29060_Casbol_Motivan_Paxpar_BRL-29060_Parogen_Paxil_Pexeva_,,,,,,,
CHEMBL416146,M01AH05_,2,4.18,3,2.79,2.79,None,4.96,358.85,4,4,0,0,24,NEUTRAL,358.85,358.0543,0,0,59.92,0.7,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1,Etoricoxib_Arcoxia_MK-0663_L-791456_,,,,,,,,
CHEMBL79,R02AD02_D04AB01_N01BB02_S01HA07_C01BB01_N01BB52_S02DA01_C05AD01_,2,2.58,1,2.33,2.84,13.78,7.75,234.34,2,3,1,1,17,NEUTRAL,234.34,234.1732,0,0,32.34,0.85,N,5,TRUE,TRUE,TRUE,0,FALSE,1,CCN(CC)CC(=O)Nc1c(C)cccc1C,ALGRX-3268_Xylestesin_Xylocaine_Anestacon_Lignocaine_Octocaine_NSC-40030_Xylotox_Lidocaine_Lmx 4_ALGRX 3268_Solarcaine_Lignostab_Xylodase_Lidopen_Dentipatch_Iontocaine_Embolex_Oraqix_Ztlido_Lignocaine Hcl_Lidocaton_Lidocainum_Alphacaine_Vagisil_Lidoderm_,,,,,,,,
CHEMBL10188,,1,5.49,4,6.16,6.25,8.03,2.73,382.46,3,4,2,2,29,NEUTRAL,382.46,382.1681,1,1,62.22,0.48,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,Talnetant_SB-2234_SB-223412_Sb-223412_,,,,,,,,
CHEMBL9967,A02BX03_,2,1.56,2,0.76,0.97,None,7.2,351.41,5,7,1,1,26,NEUTRAL,351.41,351.1695,0,0,68.78,0.89,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,Pirenzepine_Gastri p_Gastrozepin_ACI-91_,,,,,,,,
CHEMBL9960,,1,5.78,4,5.9,5.9,None,2.18,366.46,2,3,1,1,28,NEUTRAL,366.46,366.1732,1,1,41.99,0.49,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,Azd 7624_AZD-7624_Azd-7624_,,,,,,,,
CHEMBL492,N01BB57_N01BB07_,0,3.75,1,3.25,4.46,13.62,8.59,276.42,2,3,1,1,20,BASE,276.42,276.2202,0,0,32.34,0.82,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C,W-19053_Etidocaine_W-19053 [AS HYDROCHLORIDE]_Duranest [as hydrochloride]_,,,,,,,,
CHEMBL80,A06AH04_V03AB15_,1,1.3,1,1.04,1.62,10.07,7.84,327.38,5,5,2,2,24,NEUTRAL,327.38,327.1471,0,0,70,0.8,N,2,TRUE,TRUE,TRUE,0,FALSE,0,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,Narcan_NSC-70413_Narcanti_Suboxone_Nalone_Dbl naloxone_Naloxone_,,,,,,,,
CHEMBL81,G03XC01_,2,6.08,4,5.34,5.69,8.89,7.95,473.59,6,5,2,2,34,NEUTRAL,473.59,473.1661,1,1,70,0.32,N,7,TRUE,FALSE,FALSE,0,FALSE,1,O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,LY-139481_Evista_Eviden_NSC-747974_Raloxiphene_Keoxifene_Raxeto_Raloxifene_J22.982B_,,,,,,,,
CHEMBL83,L02BA01_,2,6,3,4.97,6.35,None,8.76,371.52,2,2,0,0,28,BASE,371.52,371.2249,1,1,12.47,0.45,N,8,TRUE,FALSE,FALSE,1,FALSE,1,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,Novaldex_Tamoxifen_Nolvadex_Soltamox_Mammaton_NSC-727681_ICI-46474_ICI-47699_Tamoplex_,,,,,,,,
CHEMBL493,G02CB01_N04BC01_,1,3.19,2,3.8,3.89,9.69,6.71,654.61,6,10,3,3,43,NEUTRAL,654.61,653.2213,1,1,118.21,0.46,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,Parlodel_CB-154_Bromergocryptine_Bromocriptine_2-bromo-.alpha.-ergocryptine_Ergocryptine, 2-bromo-_SANDOZ 15-754_,,,,,,,
CHEMBL494,B01AC11_,0,3.54,0,0.89,3.56,4.66,None,360.49,3,4,3,3,26,ACID,360.49,360.2301,0,0,77.76,0.35,N,8,FALSE,FALSE,TRUE,0,FALSE,0,CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O,Ilomedin_ZK-36374_Ciloprost_Iloprost_ZK 00036374_ZK-00036374_Ventavis_Endoprost_,,,,,,,,
CHEMBL84,L01CE01_,1,1.85,3,-0.91,-0.33,8,9.75,421.45,8,8,2,2,31,BASE,421.45,421.1638,0,0,104.89,0.49,N,3,TRUE,TRUE,FALSE,0,FALSE,1,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1,Nogitecan_NSC-609699_Hycamptin_NSC-641007_Topotecan_Hycamtin_SKF-104864_Potactasol_Hycamptamine_,,,,,,,,
CHEMBL85,N05AX08_,2,3.59,3,1.25,2.63,None,8.76,410.49,6,6,0,0,30,BASE,410.49,410.2118,0,0,64.16,0.66,N,4,TRUE,TRUE,FALSE,0,FALSE,1,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,Risperdal quicklet_Risperidone_RCN3028_Risperdal Consta Long Acting_Risperdal consta_N05AX08_Perseris_LY-03004_R-64,766_R-64766_R 64 766_Perseris kit_Risperdal_LY03004_Risperdal M-Tab_RCN-3028_NSC-759895_R-64-766_Risperdal M_,,,,,,,
CHEMBL428880,R03BC01_R01AC01_A07EB01_D11AH03_R01AC51_S01GX01_S01GX51_,2,2.11,4,-5.57,1.48,1.55,None,468.37,9,11,3,3,34,ACID,468.37,468.0693,1,0,173.71,0.35,N,8,TRUE,FALSE,TRUE,0,FALSE,0,O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1,Cromoglicate_Cromo-comod_Cromoglycate_Cromolyn_Cromoglicic acid_R03BC01_,,,,,,,,
CHEMBL86,A03FA01_,2,2,1,-0.25,1.4,None,9.04,299.8,4,5,2,3,20,BASE,299.8,299.1401,0,0,67.59,0.76,N,7,TRUE,TRUE,FALSE,0,FALSE,1,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,"Methoxyclopramide_Elieten_Terperan_Clopra_Metoclopramide_Maxolon_Clopra-""Yellow""_Reglan_",,,,,,,,
CHEMBL428647,L01CD01_,1,3.74,3,3.54,3.54,11.9,None,853.92,14,15,4,4,62,NEUTRAL,853.92,853.331,2,2,221.29,0.13,N,10,FALSE,TRUE,FALSE,0,FALSE,1,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,Genaxol_Onxal_Taxalbin_Taxus liberte_Lep-etu_Mitotax_Paxene_Paclitaxel_Plaxicel_Pacliex_Abraxane_QW-8184_Oncogel_Genetaxyl_Empac_ABI-007_BMS 181339-01_Pacitaxel_Intaxel_Paclitaxol_NSC-125973_Genexol_Genexol-pm_Taxol a_Taxol 100_MBT 0206_MBT-0206_Tocosol paclitaxel_Capxol_NK 105_Yewtaxan_Onxol_(-)-paclitaxel_Taxus_Endotag 1_DHP 107_Paclitaxel (taxus canadensis)_DHP-107_Taxol_Taxus stent_ABI-007 COMPONENT PACLITAXEL_BMS-181339-01_Ebetaxel_NK-105_Cyclopax_,,,,,,,,
CHEMBL495,G04BE01_C01EA01_,1,3.48,0,0.66,3.59,4.35,None,354.49,4,5,3,3,25,ACID,354.49,354.2406,0,0,94.83,0.35,N,13,FALSE,TRUE,TRUE,0,FALSE,1,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,Alprostadil_U-10136_Caverject_ONO-1608_U-10,136_Viridal 5_NSC-165559_Caverject impulse_Prostin_Viridal 10_Viridal 20_Prostin vr pediatric_Vitaros_Pge1_Viridal duo_Prostin vr_Edex_Prostaglandin e1_,,,,,,,
CHEMBL496,D08AE01_,2,6.61,2,5.18,7.08,5.15,None,406.91,2,2,2,2,21,ACID,406.91,403.8499,1,1,40.46,0.55,N,2,FALSE,FALSE,TRUE,0,FALSE,0,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,"Hexascrub_Pre-op ii_Septisol_Soy-dome_Gamophen_Turgex_Germa-medica_Germa-Medica ""Mg""_Pre-op_Septi-soft_""germa-medica """"mg""""""_Hexachlorophene_Scrubteam surgical spongebrush_Phisohex_Hexa-germ_Phiso-scrub_E-z scrub_",,,,,,,,
CHEMBL497,D09AA10_P01AA02_P01AA52_S02AA05_G01AC02_D08AH30_,2,3.2,2,3.03,3.36,7.34,3.28,305.5,2,2,1,1,13,NEUTRAL,305.5,304.9104,0,0,33.12,0.76,N,0,FALSE,FALSE,TRUE,0,TRUE,0,Oc1c(I)cc(Cl)c2cccnc12,Iodochlorhydroxyquin_Vioform_Oralcer_Quin-o-creme_Clioquinol_4-stearylamino-phenyl-trimethylam. metilsulf._Iodochlorhydroxyquinolone_Domeform-hc_NSC-3531_NSC-74938_,,,,,,,,
CHEMBL10878,N06AX22_,2,2.53,2,2.04,2.04,None,None,243.31,2,3,1,1,18,NEUTRAL,243.31,243.1259,0,0,38.33,0.9,N,4,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc2cccc(CCNC(C)=O)c2c1,S20098_Agomelatine_Thymanax_Valdoxan_S-20098_,,,,,,,,
CHEMBL88,,0,1.88,0,0.1,0.1,13.48,0.02,261.09,2,4,1,1,14,NEUTRAL,261.09,260.0248,0,0,41.57,0.61,N,5,TRUE,TRUE,FALSE,1,FALSE,0,O=P1(N(CCCl)CCCl)NCCCO1,Neosar_Cyclophosphamide_Cytoxan_,,,,,,,,
CHEMBL498,A10BB02_,2,1.74,1,1,1.94,3.33,None,276.75,3,5,2,2,17,ACID,276.75,276.0335,0,0,75.27,0.88,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,Diabemide_NSC-626720_Glymese_Chlorpropamide_Glucamide_Diabinese_Melitase_NSC-44634_,,,,,,,,
CHEMBL499,C07AA06_S01ED51_S01ED01_,1,0.5,1,-0.97,1.34,None,9.76,316.43,8,7,2,2,21,BASE,316.43,316.1569,0,0,79.74,0.79,N,6,TRUE,FALSE,TRUE,0,FALSE,0,CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1,Glaucol_Betim_Nyogel_Timolol_Istalol_Betimol_Timolol anhydrous_Blocadren_Timolol hemihydrate_Tiopex_Timoptic-XE_Glau-opt_Timoptic_,,,,,,,,
CHEMBL500,C07AA03_,0,1.91,2,-0.53,1.69,None,9.67,248.33,3,4,3,3,18,BASE,248.33,248.1525,0,0,57.28,0.73,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)NCC(O)COc1cccc2[nH]ccc12,Pynastin_Dl-lb-46_Visken_Pindolol_Pinbetol_Calvisken_Dl-pindolol_Decreten_Betapindol_Carvisken_Glauco-visken_LB-46_NSC-757276_Pectobloc_Prinodolol_Betadren_(rs)-pindolol_Apo-pindol_Blocklin-l_Durapindol_,,,,,,,,
CHEMBL276832,C02DB02_,2,0.92,2,-0.73,0.75,None,8.88,160.18,4,4,2,3,12,BASE,160.18,160.0749,0,0,63.83,0.48,N,1,TRUE,TRUE,FALSE,0,FALSE,0,NNc1nncc2ccccc12,Hydralazine_NSC-126699_Hydralazine polistirex_,,,,,,,,
CHEMBL501,,0,1.58,1,-0.67,1.8,None,10.01,233.29,1,1,1,2,10,BASE,135.21,135.1048,0,0,26.02,0.65,Y,2,TRUE,FALSE,FALSE,0,FALSE,1,CC(N)Cc1ccccc1.O=S(=O)(O)O,Benzedrine_Astedin_Dl-amphetamine sulfate_Amfetamine sulfate_NSC-170999_Amphetamine Sulfate_Amphetamine sulfate_Benzadrine_Evekeo odt_Amfetamine sulphate_Dl-amphetamine sulphate_Evekeo_,,,,,,,,
CHEMBL267345,J02AA01_A01AB04_A07AA07_G01AA03_,1,0.71,0,-2.31,-2.3,3.69,9.12,924.09,17,18,12,13,65,ZWITTERION,924.09,923.4878,3,3,319.61,0.17,N,3,TRUE,TRUE,TRUE,0,FALSE,1,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2,Fungilin in orabase_Amphotericin b lipid complex_Fungilin_Amphotericinum b_Amphotocerin_Amphotreicin B_Ampho-moronal_Fungizone_Amophotericin B_Amphotercin B_Abelcet_Amphotericin b liposomal complex_Amphotericitin B_Ambil_Amphotericine B_Amphotericin b liposomal_Amphotericin b deoxycholate_Halizon_Ambisome_Amphotericin_Amphotericin b liposome_Amphotec_Ampotericin B_Amphotericin b, liposome_NSC-527017_Amphotericin b_,,,,,,,
CHEMBL90,,2,-0.09,1,-2.85,-0.7,None,9.58,111.15,2,3,2,3,8,BASE,111.15,111.0796,0,0,54.7,0.56,Y,2,FALSE,TRUE,FALSE,0,FALSE,1,NCCc1c[nH]cn1,NSC-33792_Ergamine_Ergotidine_.beta.-aminoethylglyoxaline_Histamine_,,,,,,,,
CHEMBL91,G01AF04_S02AA13_J02AB01_A01AB09_D01AC52_A07AC01_D01AC02_,0,6.45,3,5.92,5.96,None,6.48,416.14,3,3,0,0,25,NEUTRAL,416.14,413.986,1,1,27.05,0.46,N,6,FALSE,TRUE,TRUE,0,FALSE,0,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,Vusion_Loramyc_Micatin_Oravig_NSC-170986_Monistat-Derm_Dumicoat_Conofite_Monistat_Monistat-3_Miconazole_Dermazole_,,,,,,,,
CHEMBL92,,1,3.26,2,2.92,2.92,11.9,None,807.89,14,15,5,5,58,NEUTRAL,807.89,807.3466,2,2,224.45,0.15,N,8,FALSE,TRUE,FALSE,0,FALSE,1,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C,RP-56976_Taxotere_,,,,,,,,
CHEMBL93,,0,2.73,2,1.99,2.01,8.84,None,236.3,3,4,2,3,16,NEUTRAL,236.3,236.0619,0,0,66.56,0.62,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(c1cc2ccccc2s1)N(O)C(N)=O,NSC-759277_NSC-730712_Zyflo cr_ABBOTT-64077_Zileuton_Zyflo_A-64077_,,,,,,,,
CHEMBL94,S01EB05_V03AB19_,1,1.77,1,2.17,2.23,None,6.59,275.35,4,5,1,1,20,NEUTRAL,275.35,275.1634,0,0,44.81,0.85,N,1,FALSE,FALSE,FALSE,0,FALSE,0,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,Eserine_NSC-30782_(-)-physostigmine_Eserinum_Eserin_Physostigmine_Cogmine_MCV-4484_,,,,,,,,
CHEMBL95,N06DA01_,2,2.7,2,1.25,2.63,None,8.95,198.27,2,2,1,2,15,BASE,198.27,198.1157,0,0,38.91,0.71,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,Nc1c2c(nc3ccccc13)CCCC2,Tacrine_Tacrinal_,,,,,,,,
CHEMBL502,N06DA02_,0,4.36,2,3.04,4.21,None,8.54,379.5,4,4,0,0,28,BASE,379.5,379.2147,0,0,38.77,0.75,N,6,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,Aricept_Donaz_E-2020_Donepezil_D-797_,,,,,,,,
CHEMBL503,C10AA02_,1,4.2,0,3.9,3.9,None,None,404.55,5,5,1,1,29,NEUTRAL,404.55,404.2563,0,0,72.83,0.67,N,6,TRUE,FALSE,FALSE,1,FALSE,0,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,Mevinacor 40_Sivlor_Mevinacor_Simvastatin impurity, lovastatin-_Mevacor_Mevinolin_MK-803_Mevinacor 10_Monacolin k_L-154803_C10AA02_Altoprev_6.alpha.-methylcompactin_Lovastatin_NSC-758662_Mevlor_,,,,,,,
CHEMBL504,G04BX13_M02AX03_,2,-0.01,0,-1.41,-1.41,None,None,78.14,1,1,0,0,4,NA,78.14,78.0139,0,0,17.07,0.4,Y,0,FALSE,TRUE,FALSE,0,FALSE,0,C[S+](C)[O-],NSC-763_Syntexan_DMSO_Rimso 50_SQ-9453_Domoso_SQ 9453_Rimso-50_Dimethyl sulfoxide_Infiltrina_,,,,,,,,
CHEMBL505,R06AB54_R06AB04_,0,3.82,2,1.52,3.58,None,9.47,274.8,2,2,0,0,19,BASE,274.8,274.1237,0,0,16.13,0.82,N,5,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1,Antagonate_Phenetron_Chlorphenamine_Chlor-Trimeton_Isoclor_Chlorpheniramine_Teldrin_Kloromin_,,,,,,,,
CHEMBL506,P01BA03_,0,2.78,2,-0.96,1.64,None,10.2,259.35,4,4,2,3,19,BASE,259.35,259.1685,0,0,60.17,0.84,N,6,TRUE,FALSE,FALSE,0,FALSE,1,COc1cc(NC(C)CCCN)c2ncccc2c1,Primaquine_Maliride_Primachin_NSC-27296_WR-2975_Neo-quipenyl_SN-13272_Kanaprim_,,,,,,,,
CHEMBL509,M01AG04_M02AA18_,2,4.74,2,2.82,6.09,3.79,None,296.15,2,3,2,2,19,ACID,296.15,295.0167,0,0,49.33,0.86,N,3,TRUE,FALSE,FALSE,0,FALSE,1,Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,CI-583_NSC-95309_Meclofenamic acid_Meclodium_INF-4668_INF 4668_Meclomen_CL-583_Meclofenamate_,,,,,,,,
CHEMBL511,R06AC01_D04AA02_,2,2.66,2,1.66,3.04,None,8.76,285.39,4,4,0,0,21,BASE,285.39,285.1841,0,0,28.6,0.78,N,7,TRUE,FALSE,TRUE,0,FALSE,0,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,NSC-13136_Mepyramine_Pyrilamine_,,,,,,,,
CHEMBL513,L01AD01_,2,1.16,0,1.02,1.02,13.36,None,214.05,3,5,1,1,12,NEUTRAL,214.05,213.0072,0,0,61.77,0.42,N,5,FALSE,TRUE,FALSE,0,FALSE,1,O=NN(CCCl)C(=O)NCCCl,Carmubris_Bischloroethyl nitrosourea_Becenun_NSC-409962_FDA-0345_Bicnu_SK-27702_BCNU_Carmustine_Camustine_SRI-1720_DTI-015_Gliadel_,,,,,,,,
CHEMBL514,L01AD02_,2,2.25,0,2.16,2.16,None,None,233.7,3,5,1,1,15,NEUTRAL,233.7,233.0931,0,0,61.77,0.46,N,4,TRUE,FALSE,FALSE,0,FALSE,1,O=NN(CCCl)C(=O)NC1CCCCC1,CCN-U_NSC-79037_Ceenu_Lomustine_Gleostine_CCNU_Ccnu_,,,,,,,,
CHEMBL515,L01AA02_,2,3.38,1,1.09,3.94,4.46,1.72,304.22,2,3,1,1,19,ACID,304.22,303.0793,0,0,40.54,0.71,N,9,TRUE,FALSE,FALSE,0,FALSE,1,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,Ambochlorin_Lympholysin_CB-1348_Chlorbutin_Chlorambucil_Ecloril_Chlorambucilum_NCI-3088_NSC-3088_Leukeran_,,,,,,,,
CHEMBL516,R06AX02_,2,4.7,2,3.65,4.38,None,8.05,287.41,1,1,0,0,22,NEUTRAL,287.41,287.1674,0,0,3.24,0.58,N,0,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,Cyproheptadine_Ciprovit_,,,,,,,,
CHEMBL12856,C01CE01_,2,1.02,2,-0.57,-0.57,11.01,4.87,187.2,3,4,2,3,14,NEUTRAL,187.2,187.0746,0,0,71.77,0.7,N,1,FALSE,TRUE,FALSE,0,FALSE,0,Nc1cc(-c2ccncc2)c[nH]c1=O,Vesistol_Amrinone_Cordemcura_WIN 40680_Inamrinone_Wincoram_Amcoral_Cartonic_NSC-759805_C01CE01_WIN-40680_Inocor_,,,,,,,,
CHEMBL517,C01BA03_,0,3.36,2,0.57,3.47,None,10.42,339.48,3,4,1,2,25,BASE,339.48,339.2311,0,0,59.22,0.8,N,8,TRUE,FALSE,FALSE,0,FALSE,1,CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C,H-3292_Disopyramide_Dl-disopyramide_(rs)-disopyramide_Dicorantil_Rythmodan p_Lispine_Ritmilen_Isorythm_Norpace_Searle-703_SC-7031_,,,,,,,,
CHEMBL98,L01XH01_,2,2.47,1,1.99,2,8.91,None,264.32,3,5,3,3,19,NEUTRAL,264.32,264.1474,0,0,78.43,0.38,N,8,TRUE,FALSE,FALSE,0,FALSE,0,O=C(CCCCCCC(=O)Nc1ccccc1)NO,Zolinza_MK-0683_NSC-748799_NSC-701852_Suberoylanilide hydroxamic acid_NSC-759852_Vorinostat_MK0683_,,,,,,,,
CHEMBL267648,J01MA03_,2,1.61,2,-0.02,0.75,5.5,6.44,333.36,5,6,1,1,24,ACID,333.36,333.1489,0,0,65.78,0.92,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,1589-RB_1589 RB_Pefloxacin_EU-5306_,,,,,,,,
CHEMBL521,G02CC01_M01AE51_M02AA13_R02AX02_C01EB16_M01AE01_,0,3.07,1,1.34,3.84,4.85,None,206.28,1,2,1,1,15,ACID,206.28,206.1307,0,0,37.3,0.82,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CC(C)Cc1ccc(C(C)C(=O)O)cc1,Aches-n-pain_Ibuspray_Maxa-gesic_Ibutime_Deep relief_Phorpain max strgh_Femafen_Ibuprofen_Children's elixsure_Fenbid_IP-82_Medipren_Cuprofen plus_Lidifen_Brufen ret_Advil_Ibuprin_IB-100_Apsifen_Anadin joint pain_Caldolor_U-18573_Isisfen_Ibuprohm_Feverfen_Ibu-slo_Arthrofen 200_Ibumetin_Advil migraine liqui-gels_Relcofen_Children's motrin_Junior strength ibuprofen_Co-op_Ibu-tab 200_Motrin migraine pain_Fleximex_Phensic_Ibugel fte_Ibumousse_Arthrofen 400_RD 13621_Nurofen recovery_Anadin ultra_Ibuprofenum_Midol_Junifen_Rimafen_Apsifen-f_Pedea_Cuprofen for child_Fenbid fte_Profen_Nurofen for child_Inabrin_Nurofen solb_Codafen continus_Motrin_Proflex_Lobufen_Migrafen_Ibucalm_Phor pain_Children's ibuprofen_Pacifene_Suspren_Ibu-tab_Ibugel_U-18,573_Burana_Nurofen plus_Ibuderm_Nurofen back pain sr_Ibufac_Nurofen child_Orbifen_Infant's advil_Midol liquid gels_Tab-profen_Ebufac_Seclodin_Anadin liquifast_Lidifen-f_Nurofen 400_Pediatric advil_Mandafen_Junior strength advil_Cap-profen_Ibumed_Ibuleve_Anadin period pain relief_Rufen_NSC-256857_Inoven_Junior strength motrin_M01AE01_Nuprin_Novaprin_Children's advil-flavored_Fenpaed_Phorpain_Ibular_Proflex sr_Paxofen_Motrin ib_Children's advil_Manorfen_Nurofen sinus_Advil liqui-gels_Arthrofen 600_,,,,,,,
CHEMBL13280,N05CD03_,2,2.55,2,2.55,2.55,None,1.72,313.29,4,6,0,0,23,NEUTRAL,313.29,313.0863,0,0,75.81,0.63,N,2,FALSE,FALSE,FALSE,0,TRUE,0,CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21,N05CD03_RO-54200_Rohypnol_Flunitrazepam_RO 5-4200_RO-5-4200_,,,,,,,,
CHEMBL13209,N05CD02_,2,2.38,2,2.55,2.55,11.66,2.65,281.27,4,6,1,1,21,NEUTRAL,281.27,281.08,0,0,84.6,0.68,N,2,FALSE,FALSE,FALSE,0,FALSE,0,O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1,RO 4-5360_Nitrazepamum_RO-5-3059_Benzalin_Mogadon_RO-45360_Somnite_RO 5-3059_RO-53059_Nitrazepam_Remnos_RO-4-5360_NSC-58775_Unisomnia_N05CD02_Nitrados_,,,,,,,,
CHEMBL524,C01CA10_,0,1.08,1,-1.28,0.57,13.61,9.28,211.26,4,4,2,3,15,BASE,211.26,211.1208,0,0,64.71,0.78,N,4,FALSE,TRUE,FALSE,0,FALSE,0,COc1ccc(OC)c(C(O)C(C)N)c1,NRL-001_Methoxamine_Nrl001_NRL001_Vasoxyl_,,,,,,,,
CHEMBL526,N01AX10_,2,3.64,1,4.16,4.16,10.98,None,178.27,1,1,1,1,13,NEUTRAL,178.27,178.1358,0,0,20.23,0.73,N,2,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)c1cccc(C(C)C)c1O,Disoprofol_Propofol_ICI 35-868_Disoprivan_ICI-35868_Phenol,2,6-bis(1-methylethyl)_Rapinovet_NSC-5105_Diprivan_ICI35,868_Fresofol_ICI 35,868_Lipuro_,,,,
CHEMBL527,M01AC01_M02AA07_S01BC06_,2,1.58,2,-1.52,0.6,4.76,3.79,331.35,5,7,2,2,23,ACID,331.35,331.0627,0,0,99.6,0.87,N,2,TRUE,FALSE,FALSE,0,FALSE,1,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,CP-16171_Larapam_Piroflam 20_Piroflam 10_Brexidol_CP-16,171_Feldene 20_Piroxicam_Pirozip 10_Feldene_Flamatrol_Feldene p_NSC-666076_Kentene_Pirozip 20_,,,,,,,
CHEMBL528,J01DD07_,1,-0.56,1,-3.61,-0.94,2.66,3.6,383.41,9,10,3,4,25,ACID,383.41,383.0358,0,0,147.21,0.35,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,Cefizox_FK-749_Ceftizoxime_,,,,,,,,
CHEMBL101,M01AA01_M02AA01_,2,3.79,2,2.21,4.14,5,None,308.38,2,4,0,0,23,ACID,308.38,308.1525,0,0,40.62,0.79,N,5,TRUE,FALSE,FALSE,0,TRUE,0,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,Ecobutazone_Intrazone_Phenyzene_Shigrodin_Flexazone_Elmedal_Equipalazone_Exrheudon n_Phenylbutazone_Robizone-v_Zolaphen_Butacote_Butazolidin_Butadion_Diphenylbutazone_Uzone_NSC-25134_Fenylbutazon_Butapirazol_Antadol_Azolid_Butadiona_G-13871_Butoz_Pro-Bute_Tevcodyne_Buzon_Bizolin_Ambene_Intrabutazone_Fenibutazona_Phebuzine_R-3-ZON_Fenibutol_Equiphar_Mepha-butazon_Butaject_Diphebuzol_Butatron_Artrizin_,,,,,,,,
CHEMBL529,J01FA10_S01AA26_,1,1.9,0,-1.23,2.44,12.43,9.57,749,14,14,5,5,52,BASE,749,748.5085,2,2,180.08,0.24,N,7,TRUE,TRUE,TRUE,0,FALSE,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,Durasite_Zythromax_CP-62993_Sunamed_Clamelle_Anhydrous azithromycin_XZ 450_Macrozit_ZMax_XZ 405_CP 62993_Hemomycin_Azasite_Aruzilina_NSC-758625_Azithromycin anhydrous_Azithromycin dihydrate_Azithromycin_Azithromycin hydrate_Azithrocin_CP-62,993_Azithromycin (as dihydrate)_Xithrone_Azithromycin, unspecified form_Aziwin_Aziromycin_Azyter_Sumamed_Zithromax_Zithromac_Trozocina_XZ-450_Azithromycin, unspecified_,,,,,
CHEMBL530,J01CA11_,1,1.41,0,-0.66,-0.55,3.3,7.92,325.43,4,6,1,1,22,ACID,325.43,325.146,0,0,73.21,0.48,N,3,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O,Selexidin_RO 10-9070_Amdinocillin_Mecillinam_FL 1060_FL-1060_RO-10-9070_Coactin_,,,,,,,,
CHEMBL531,N04BC02_,1,4.27,2,2.15,4.23,None,9.49,314.5,2,2,1,1,22,BASE,314.5,314.1817,0,0,19.03,0.91,N,4,TRUE,FALSE,FALSE,0,TRUE,0,CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,Pergolide_,,,,,,,,
CHEMBL532,S01AA17_J01FA01_D10AF02_D10AF52_,1,1.79,0,1.57,2.6,12.45,8.38,733.94,14,14,5,5,51,NEUTRAL,733.94,733.4612,2,2,193.91,0.24,N,7,TRUE,FALSE,TRUE,0,FALSE,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,Erymax sprinkle_Erythromycin estolate impurity, free erythromycin-_Rommix 250 ec_Akne-mycin_C-solve-2_Paediathrocin_Ery-tab_E-glades_Gallimycin_Eryc_E-mycin_Erypar_Emgel_Erythrocin_Kerymax_Eryc sprinkles_E-base_Erythro-statin_J01FA01_Eryderm_Stiemycin_Rommix 500 ec_Oftalmolosa cusi eritromicina_E-Mycin_Erythro 200_E-solve 2_Aknemycin plus_T-stat_Erythra-derm_Erymax_Erythromycin_Tiloryth_Erycette_Erygel_Isotrexin_E-Base_Pfizer-E_Staticin_R-p mycin_A/t/s_Bristamycin_Wyamycin_Eryc 125_Benzamycin_NSC-55929_Eryacne 4_E-Glades_ERY-TAB_PCE_Zineryt_Ilotycin_Retcin_Sansac_Eryacne 2_Erythro-Statin_Robimycin_,,,,,,,
CHEMBL533,C01BD05_,0,4.16,1,0.53,2.54,9.72,10.4,384.59,4,5,2,2,26,BASE,384.59,384.2447,0,0,69.64,0.47,N,14,FALSE,TRUE,FALSE,0,FALSE,1,CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1,Ibutilide_,,,,,,,,
CHEMBL103,G03DA04_,1,4.72,0,4.15,4.15,None,None,314.47,2,2,0,0,23,NEUTRAL,314.47,314.2246,0,0,34.14,0.7,N,1,TRUE,TRUE,TRUE,0,FALSE,1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,Serenity for women_Gesterol_Prometrium_Progesterone_Progesta-care_Regumate_NSC-9704_Syngestrone_Progestasert_Crinone_Prochieve_Progesterone, micronized_NSC-64377_Progesteronum_Utrogestan_Progestin_U 3672_Endometrin_Lutigest_Milprosa_Cyclogest_,,,,,,,
CHEMBL13828,R06AE06_,2,4.13,4,3.92,4.62,12.92,8.01,426.56,4,5,1,1,32,NEUTRAL,426.56,426.242,0,0,44.27,0.48,N,7,FALSE,FALSE,FALSE,0,FALSE,0,O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,Tinset_Dasten_NSC-309710_R 35,443_Cobiona_Celtect_R-35443_Oxatomide_,,,,,,,
CHEMBL276711,,2,3.12,2,2.98,2.98,11.29,None,238.29,1,3,2,2,18,NEUTRAL,238.29,238.1106,0,0,44.89,0.74,N,1,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1,Semaxanib_NSC-696819_Semaxinib_SU005416_SU-5416_SU5416_Su-5416_,,,,,,,,
CHEMBL274654,,2,3.14,2,0.01,3.06,4.18,None,310.35,2,5,3,3,23,ACID,310.35,310.1317,0,0,82.19,0.76,N,4,FALSE,FALSE,FALSE,0,FALSE,0,Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,TSU-68_SU-6668_NSC-702827_Su-6668_Orantinib_,,,,,,,,
CHEMBL535,L01EX01_,2,3.33,2,1.28,2.93,11.46,9.04,398.48,3,6,3,3,29,BASE,398.48,398.2118,0,0,77.23,0.63,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,SU-11248_NSC-736511_Sunitinib_SU-011248_Sutent_SU011248_NSC-750690_,,,,,,,,
CHEMBL541,,2,1.38,1,-1.48,1.63,4.08,None,122.12,1,2,1,1,9,ACID,122.12,122.0368,0,0,37.3,0.61,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)c1ccccc1,Benzoic acid (e 210)_Benzoic acid_Benzoate_Benzoicum acidum_NSC-149_Menno-florades_Benzoic Acid_FEMA NO. 2131_Vevovitall_INS NO.210_Acidum benzoicum_E210_INS-210_Whitfield's_E-210_Dracylic acid_,,,,,,,,
CHEMBL542,D02BA01_,2,0.97,1,-1.8,0.8,4.77,2.69,137.14,2,3,2,3,10,ACID,137.14,137.0477,0,0,63.32,0.57,N,1,FALSE,FALSE,FALSE,0,FALSE,0,Nc1ccc(C(=O)O)cc1,4-Aminobenzoic Acid_NSC-7627_4-aminobenzoate_Para-aminobenzoic acid_Rvpaba lipstick_P-aminobenzoic acid_Aminobenzoic Acid_Benzoic acid, 4-amino_Paba_Aminobenzoic acid_,,,,,,,
CHEMBL14053,,2,1.44,0,-2,1.53,1.72,None,163.39,1,2,1,1,7,ACID,163.39,161.9042,0,0,37.3,0.55,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)C(Cl)(Cl)Cl,Trichloroacetic acid_Trichloroacetate_NSC-215204_TCAA_Trichloroethanoic acid_Acetic acid, trichloro-_,,,,,,,
CHEMBL14060,R02AA19_C05BB05_N01BX03_D08AE03_,2,1.39,1,1.67,1.67,10.02,None,94.11,1,1,1,1,7,NEUTRAL,94.11,94.0419,0,0,20.23,0.51,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,Oc1ccccc1,Salicylic acid related compound c_Carbolicum acidum_2-allphenol_Liquified phenol_Phenol_Phenol, liquefied_Phenol,liquified_Phenol, liquified_Phenylic alcohol_S.b. ward_Phenic acid_ENT-1814_NSC-36808_Carbolic acid_Chloraseptic_Liquefied phenol_,,,,,
CHEMBL544,D11AX06_,2,1.4,1,1.51,1.51,9.94,None,124.14,2,2,1,1,9,NEUTRAL,124.14,124.0524,0,0,29.46,0.61,Y,1,FALSE,FALSE,TRUE,0,FALSE,0,COc1ccc(O)cc1,Leucobasal_Novo-dermoquinona_Menthyl anthranilate_P-hydroxyanisole_P-guaiacol_4ha_Mechinolum_BMS-181158_4-hydroxyanisole_Mequinol_NSC-4960_Leucodine b_4-methoxyphenol_Hqmme; hydroxyquinone methyl ether_,,,,,,,,
CHEMBL104,A01AB18_G01AF02_D01AC01_,2,5.38,4,5.82,5.84,None,6.26,344.85,2,2,0,0,25,NEUTRAL,344.85,344.108,1,1,17.82,0.45,N,4,TRUE,FALSE,TRUE,0,FALSE,0,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,Lotrimin_Canesten_GNF-PF-3499_Masnoderm_BAY-5097_Mycelex-g_Privacom_Mycelex_Clotrimazole_Gyne-lotrimin_Gynix_Gyne-lotrimin 3_Canesten crm combi_Canesten af_Mycil gold_Mycelex-7 combination pack_Trivagizole 3_Canesten internal_Abtrim_Candiden_Gyne-lotrimin combination pack_Trivagizole_Actavall_Trimysten_Gyne-lotrimin 3 combination pack_Mycelex-7_NSC-257473_Svt-15652_BAY 5097_Canesten vc_Fungederm_SVT-15652_,,,,,,,,
CHEMBL105,L01DC03_,1,-1.65,0,-1.05,-1.05,None,5.6,334.33,8,9,3,5,24,NEUTRAL,334.33,334.1277,0,0,146.89,0.41,N,3,FALSE,TRUE,TRUE,0,FALSE,1,CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12,Mitocin-c_Mitozytrex_Muamycin_Jelmyto_Mutamycin_UGN-102_Mitosol_Ugn-102_Mitomycin-c_Mitomycin c_Mytozytrex_NSC-26980_UGN-101_Ametycine_Mitomycin_,,,,,,,,
CHEMBL546,C07AA02_,0,1.99,1,-0.06,2.17,None,9.67,265.35,4,4,2,2,19,BASE,265.35,265.1678,0,0,50.72,0.67,N,9,TRUE,FALSE,FALSE,0,FALSE,0,C=CCOc1ccccc1OCC(O)CNC(C)C,Oxprenolol_,,,,,,,,
CHEMBL106,J02AC01_D01AC15_,2,0.74,3,0.56,0.56,12.68,2.3,306.28,7,7,1,1,22,NEUTRAL,306.28,306.1041,0,0,81.65,0.75,N,5,TRUE,TRUE,FALSE,0,FALSE,0,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,Zoltec_Alkanazole_UK-49858_NSC-758661_Diflucan one_BAYT006267_Difluconazole_Fluconazole In Sodium Chloride_Diflucan_Diflucan In Sodium Chloride_Canesten oral_UK-49,858_BAYT-006267_Fluconazole_Fluconazoli_Triflucan_,,,,,,,
CHEMBL547,D10BA01_D10AD54_D10AD04_,2,5.6,0,2.42,5.01,4.76,None,300.44,1,2,1,1,22,ACID,300.44,300.2089,1,1,37.3,0.53,N,5,TRUE,FALSE,FALSE,1,FALSE,1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,Retinoic acid, 13-cis-_RO-4-3780_RO-43780_NSC-758156_Retinoic acid 13-cis-form_Sotret_Accutane_13-cis-retinoic acid_Myorisan_Absorica ld_Isotrex_Vitamin a acid, 13-cis_Amnesteem_Claravis_Roaccutane_Absorica_RO 4-3780_Zenatane_PAT-001_13 Cis-Retinoic Acid_Isotretinoin_,,,,,,
CHEMBL14376,N05AX14_,2,4.83,3,2.6,3.22,None,7.91,426.49,6,6,0,0,31,NEUTRAL,426.49,426.1955,0,0,64.8,0.38,N,8,TRUE,FALSE,FALSE,0,FALSE,1,COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1,Iloperidone_HP-873_HP 873_Fanapt_,,,,,,,,
CHEMBL548,G02AD02_,1,3.25,0,0.26,3.23,4.3,None,352.47,4,5,3,3,25,ACID,352.47,352.225,0,0,94.83,0.37,N,12,FALSE,TRUE,TRUE,0,FALSE,0,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O,Dinoprostone_NSC-196514_Cervidil_NSC-165560_Prepidil_Prostin e2_U-12062_Propess_U-12,062_Dinoprostone beta-cyclodextrin clathrate_Minprostin e2_Enzaprost e_Prostaglandin e2_,,,,,,,
CHEMBL278020,S01EB06_N07AA01_N07AA51_,2,1.94,1,-2.25,-2.25,None,None,223.3,2,4,0,0,16,NA,223.3,223.1441,0,0,29.54,0.72,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1,Miostin_Neostigmine ion_Neostigmine hydroxide_Neostigmine_Neostigmine cation_Neostigmine (cation)_,,,,,,,,
CHEMBL14762,,1,3.2,3,2.89,2.89,None,5.2,354.46,7,7,3,3,26,NEUTRAL,354.46,354.2168,0,0,87.89,0.58,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1,R-roscovitine_NSC-701554_Seliciclib_Cyc-202_Roscovitine_AL-39256_CYC-202_Roscovitin_,,,,,,,,
CHEMBL14370,N06AX18_,0,3.19,2,2.65,3.28,None,7.91,313.4,4,4,1,1,23,NEUTRAL,313.4,313.1678,0,0,39.72,0.89,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CCOc1ccccc1OC(c1ccccc1)C1CNCCO1,Edronax_Reboxetine_,,,,,,,,
CHEMBL428690,,1,3.3,3,2.34,2.44,6.67,7.31,401.85,6,6,3,3,28,NEUTRAL,401.85,401.103,0,0,94.14,0.61,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1,Flavopiridol_HMR-1275_HL-275_MDL 107,826A_L-868275_L 86 8275_HMR 1275_NSC-649890_Alvocidib freebase_MDL-107826A_Alvocidib_L86-8275_HL 275_,,,,,,,
CHEMBL549,N06AB04_,0,3.81,2,1.41,3.76,None,9.78,324.4,3,3,0,0,24,BASE,324.4,324.1638,0,0,36.26,0.84,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,Citadur_Citalopram_Celexa_,,,,,,,,
CHEMBL550,N07AX01_S01EB01_S01EB51_,1,1.16,1,0.92,0.95,None,6.37,208.26,4,4,0,0,15,NEUTRAL,208.26,208.1212,0,0,44.12,0.7,N,3,TRUE,FALSE,TRUE,0,FALSE,0,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,Ocusert pilo_Ocusert pilo-40_Syncarpine_Spersacarpine_Pilocarpol_Pilocarpine_Pilokarpin_Ocucarpine_Pilocarpinum_Ocusert pilo-20_,,,,,,,,
CHEMBL107,M04AC01_,1,2.87,2,1.46,1.46,None,None,399.44,6,7,1,1,29,NEUTRAL,399.44,399.1682,0,0,83.09,0.83,N,5,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,NSC-757_Gloperba_(-)-colchicine_Colchisol_Mitigare_Colchcine_Colcrys_Colchicinum_Colchicine_Colchineos_,,,,,,,,
CHEMBL14935,,1,0.61,1,-1.24,-1.16,1.61,8.25,279.34,5,7,3,3,20,ACID,279.34,279.1695,0,0,103.79,0.75,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1,LY-293558_LY-293,558_NGX-424_,,,,,,,
CHEMBL553,L01EB02_,2,3.41,3,3.2,3.2,None,4.62,393.44,7,7,1,1,29,NEUTRAL,393.44,393.1689,0,0,74.73,0.42,N,10,TRUE,FALSE,FALSE,0,FALSE,0,C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,R-1415_Ro-508231_OSI-774_Erlotinib_CP-358,774_RG-1415_CP-358774_CP-35877401_Tarceva_,,,,,,,
CHEMBL554,L01EH01_,2,6.14,5,4.4,4.64,None,7.26,581.07,8,8,2,2,40,NEUTRAL,581.07,580.1347,2,2,106.35,0.18,N,11,TRUE,FALSE,FALSE,0,FALSE,1,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,Tyverb_GW-572016_GW572016_GW-2016_GSK-572016_GW-572016X_Lapatinib_,,,,,,,,
CHEMBL15023,N05AD02_,2,4.79,2,3.22,3.93,13.93,8.02,409.42,3,3,1,1,29,NEUTRAL,409.42,409.1665,0,0,40.54,0.55,N,6,FALSE,FALSE,FALSE,0,FALSE,0,O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1,MCN-JR-2498_R-2498_Trifluperidol_NSC-170978_Triperidol_,,,,,,,,
CHEMBL108,N03AF01_,2,3.39,2,2.77,2.77,None,None,236.27,1,3,1,2,18,NEUTRAL,236.27,236.095,0,0,46.33,0.75,N,0,TRUE,TRUE,FALSE,0,FALSE,1,NC(=O)N1c2ccccc2C=Cc2ccccc21,Neurotol_Finlepsin_Sirtal_Tegretol prolonged release_Tegretol Xr_Carbamazepine anhydrous_Tegretol-xr_Carbamazepine_Arbil mr_Teril ret_Telesmin_Carbagen sr_Carnexiv_Timonil 400 ret_Biston_Tegretol_Timonil_Equetro_Tegretol chewtab_Sirtal ret_NSC-169864_GEIGY 32883_Teril_Stazepine_Carbatrol_Epimaz_Epitol_Epimaz ret_Neurotop_Karbelex_Tegretal_Timonil 200 ret_Karbamazepin_G-32883_Carbamazepine extended release_Carbamazepinum_,,,,,,,,
CHEMBL15245,G04BE04_,1,2.65,2,1.88,2.1,None,7.22,354.45,4,5,2,2,26,NEUTRAL,354.45,354.1943,0,0,65.56,0.77,N,1,FALSE,FALSE,FALSE,0,FALSE,0,COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,Yohimbinum_Yohimbine_,,,,,,,,
CHEMBL109,N03AG01_,2,2.29,0,0.56,2.8,5.14,None,144.21,1,2,1,1,10,ACID,144.21,144.115,0,0,37.3,0.64,N,5,TRUE,TRUE,FALSE,0,FALSE,1,CCCC(CCC)C(=O)O,Valproic acid extended release_Pentanoic acid, 2-propyl_Depakote_Valproic acid_Depakene_Stavzor_Convulex_NSC-93819_Valproate_44089_,,,,,,,
CHEMBL277100,J01MA05_,0,2.9,3,1.06,1.06,5.41,8.76,417.39,5,6,2,2,30,ZWITTERION,417.39,417.13,0,0,74.57,0.69,N,3,FALSE,FALSE,FALSE,0,TRUE,0,CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1,Omniflox_Temafloxacin_,,,,,,,,
CHEMBL110,P01CA02_,2,1.11,2,1.32,1.32,13.68,0.2,260.25,5,7,1,1,19,NEUTRAL,260.25,260.0909,0,0,90.06,0.64,N,5,TRUE,FALSE,FALSE,0,FALSE,0,O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,Benznidazolum_Rochagan_Benzonidazol_Radanil_RO-7-1051_RO-07-1051_NSC-299972_RO 07-1051_Benznidazole_,,,,,,,,
CHEMBL556,V03AC01_,2,0.92,0,-3.64,-3.37,7.92,10.21,560.69,9,14,6,7,39,BASE,560.69,560.3534,3,2,205.84,0.06,N,23,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,Deferoxamine_Desferrioxamine_NSC-527604_Dfo-b_Desferoxamine b_Desferal_Desferrioxamine b_,,,,,,,,
CHEMBL558,C01BB02_,0,2.03,1,0.39,2.46,None,9.52,179.26,2,2,1,2,13,BASE,179.26,179.131,0,0,35.25,0.77,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,Cc1cccc(C)c1OCC(C)N,Dl-mexiletine_(rs)-mexiletine_Mexiletine_,,,,,,,,
CHEMBL559,C10AX01_,1,4.56,2,3.44,3.73,0.27,9.43,776.87,4,5,3,4,24,ZWITTERION,776.87,776.6867,1,1,92.78,0.39,N,5,TRUE,FALSE,FALSE,0,FALSE,0,N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,Liotrix_D-thyroxine_Choloxin_Dextrothyroxine_Thyroxine_,,,,,,,,
CHEMBL111,A08AX01_,2,5.94,3,5.91,5.91,10.8,1.68,463.8,4,5,1,1,30,NEUTRAL,463.8,462.0781,1,1,50.16,0.52,N,4,FALSE,FALSE,FALSE,0,TRUE,0,Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,Acomplia_SR-141716_Zimulti_SR-141716A_SR-14171_Rimonabant_SR141716_,,,,,,,,
CHEMBL561,J01MA07_S01AE04_,0,1.8,2,-0.42,-0.42,5.45,8.7,351.35,5,6,2,2,25,ZWITTERION,351.35,351.1394,0,0,74.57,0.88,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21,Maxaquin_Okacyn_Lomefloxacin_SC-47111A_,,,,,,,,
CHEMBL562,D01AA08_D01BA01_,1,2.81,1,2.17,2.17,None,None,352.77,6,6,0,0,24,NEUTRAL,352.77,352.0714,0,0,71.06,0.83,N,3,TRUE,FALSE,FALSE,0,FALSE,0,COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,Fulvicin_Griseofulvin,ultramicrosize_NSC-755822_Griseofulvin,microsize_Griseofulvin, microcrystalline_Grifulvin_Grifulvin v_Grisactin_Griseofulvin permeability diameter_Griseofulvin, microsize_Griseofulvinum_Fulvicin p/g_Grisactin ultra_Fulcin 500_Fulcin_Fulsovin_Fulvicin-u/f_Fulvicin-p/g_Gris-peg_Grivate_Fulcin 125_Fulvicin p/g 165_Griseofulvin, ultramicrocrystalline_Fulvicin p/g 330_Griseofulvin_NSC-34533_Ultragris-165_Griseofulvin, ultramicrosize_Ultragris-330_Griseofulvin microsize_Grisol af_Grisactin v_,,
CHEMBL564,N05AA03_,2,4.24,2,2.14,3.93,None,9.2,284.43,3,2,0,0,20,BASE,284.43,284.1347,0,0,6.48,0.83,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCCN1c2ccccc2Sc2ccccc21,Promazine_NSC-31447_Combelen_,,,,,,,,
CHEMBL565,C10AB01_,2,3.06,1,3.4,3.4,None,None,242.7,3,3,0,0,16,NEUTRAL,242.7,242.071,0,0,35.53,0.76,N,4,TRUE,FALSE,FALSE,1,FALSE,0,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,Atromid_Atromid-s_Clofibrate_ICI 28257_AY-61123_ICI-28257_Ethyl p-chlorophenoxyisobutyrate_NSC-79389_Chlorfenisate_,,,,,,,,
CHEMBL112,N02BE51_N02BE01_N02BE71_,2,1.35,1,0.9,0.91,9.46,None,151.16,2,3,2,2,11,NEUTRAL,151.16,151.0633,0,0,49.33,0.6,Y,1,TRUE,TRUE,TRUE,1,FALSE,1,CC(=O)Nc1ccc(O)cc1,Child lemsip_Doliprane_Galpamol_Miradol_Medised plain_Ofirmev_Panadol actifast solb_Phenaphen_Abdine_Calpol six plus_Panaleve_Paracetamol_Acetaminophen_Disprol jnr_Panadol_Perfalgan_Tramil 500_Medinol over 6_Alvedon_Panadol oa_Acephen_Mandanol_Medinol_Disprol paed_Dafalgan_NSC-3991_Paramin_Panadol advan_Placidex_Rimadol_Parapaed jnr_Panadol jnr_NSC-109028_Vermidon_Parapaed six plus_Calpol six plus fastmelts_Medinol for children_Efferalgan_Paracetamolum_P-hydroxy-acetanilid_Tylenol_Biocetamol_Paravict_Apap_Tixymol_Infants' feverall_Disprol infant_Neopap_Hedex_Panadol actifast_Fennings_Disprol_Angiers_Cupanol_Infadrops_Junior parapaed_Calpol_Datril_N-acetyl-p-aminophenol_Medinol under 6_Paldesic_Panaleve 6 plus_Injectapap_Salzone_,,,,,,,,
CHEMBL277522,M01AE05_,2,3.4,2,-0.02,3,4.22,None,254.28,2,3,1,1,19,ACID,254.28,254.0943,0,0,54.37,0.83,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1,CL 82,204_CL-82204_NSC-757812_Lederfen 450_Cinopal_Lederfen f_Fenbuzip 450_Fenbufen_Fenbuzip 300_Lederfen cp_,,,,,,,
CHEMBL113,N06BC01_D11AX26_,2,-1.03,2,-0.55,-0.55,None,None,194.19,6,6,0,0,14,NEUTRAL,194.19,194.0804,0,0,61.82,0.54,N,0,TRUE,TRUE,TRUE,0,FALSE,0,Cn1c(=O)c2c(ncn2C)n(C)c1=O,Pro-plus_Theine_Yeast-vite_Cafcit_NSC-5036_Synalgos_Coffeinum_Caffeine anhydrous_Nodoz caplets and chewable tablets_Nodoz_FEMA NO. 2224_Zanthine_Caffeine_Caffeinum_Caffeine melting point standard_Anhydrous caffeine_Coffeine_Methyltheobromine_Durvitan_Vivarin_Guaranine_,,,,,,,,
CHEMBL567,N05AB03_,2,3.94,2,3.14,3.69,None,7.81,403.98,5,4,1,1,27,NEUTRAL,403.98,403.1485,0,0,29.95,0.79,N,6,TRUE,TRUE,FALSE,0,FALSE,1,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,Chlorpiprazine_Trilafon_NSC-150866_Decentan_Perphenazine fendizoate_Fentazin_Trilafon-La_Perphenazine_Perphenazine maleate_Etaperazine_Perphenazine Fendizoate_,,,,,,,,
CHEMBL568,N05BA04_,0,2.45,2,2.92,2.92,10.61,None,286.72,3,4,2,2,20,NEUTRAL,286.72,286.0509,0,0,61.69,0.85,N,1,TRUE,FALSE,FALSE,0,FALSE,1,O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O,Oxazepam civ_Zaxopam_NSC-169448_Oxazepam_Oxozepam_Lederpam_Serenid fte_WY-3498_Serax_J3.308A_Temazepam impurity, oxazepam-_,,,,,,,
CHEMBL15770,M01AB02_,1,4.37,2,-0.18,2.93,4.09,None,356.42,2,3,1,1,25,ACID,356.42,356.0882,0,0,54.37,0.89,N,4,TRUE,FALSE,FALSE,1,FALSE,1,CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S+](C)[O-])cc1,Artribid_Sulindac_MK-231_NSC-757344_Arthrocine_Clinoril_,,,,,,,,
CHEMBL15677,,2,4.41,2,0.96,4.32,3.55,None,297.14,2,3,1,1,19,ACID,297.14,296.0007,0,0,46.53,0.91,N,4,FALSE,FALSE,FALSE,0,TRUE,0,O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl,RX 67408_Fenclofenac_R-67408_R 67408_RX-67408_,,,,,,,,
CHEMBL416898,P03AB51_P03AB01_,2,6.5,2,6.46,6.46,None,None,354.49,0,0,0,0,19,NA,354.49,351.9147,1,1,0,0.54,N,2,FALSE,FALSE,FALSE,0,FALSE,0,Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1,Ddt, p,p'-_4,4'-ddt_Dicophane_NSC-8939_Chlorophenothane_Penticide_ENT-1506_Ddt_P,p'-ddt_Chlorphenotane_Clofenotane_,,,,
CHEMBL569,N01BA52_N01BA02_S01HA05_C05AD05_,2,1.77,1,0.31,1.88,None,8.96,236.31,4,4,1,2,17,BASE,236.31,236.1525,0,0,55.56,0.6,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCN(CC)CCOC(=O)c1ccc(N)cc1,Novocain_Procaine_NSC-169497_,,,,,,,,
CHEMBL570,N05AA05_,2,5.26,2,3.01,4.81,None,9.2,352.43,3,2,0,0,24,BASE,352.43,352.1221,1,1,6.48,0.74,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,Vesprin_Fluopromazine_Nivoman_Vetame_Triflupromazine_,,,,,,,,
CHEMBL571,M01AE53_M01AE03_M02AA10_,0,3.11,2,0.39,3.61,3.88,None,254.29,2,3,1,1,19,ACID,254.29,254.0943,0,0,54.37,0.85,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,Oruvail im_Fenoket 200_NSC-758144_Oruvail_(rs)-ketoprofen_Ketotard 200 xl_RP-19583_19583RP_Hydratropic acid, m-benzoyl-_Actron_Orudis 100_Jomethid xl_Tiloket_Axorid_Ketonal_IDEA-033_Ketorin_R.P. 19,583_Actron ketoprofen_Orudis kt_Ketozip 200 xl_Aneol_Iso-k_Oruvail 200_Ketocid 200_Orudis_Nexcede_Ketoprofen_Valket 200 retard_Larafen_Oruvail 150_Powergel_R.P. 19583_Capisten_Sector_Oruvail 100_Alrheumat_Ketovail_RU-4733_Tiloket cr_Larafen cr_,,,,,,
CHEMBL572,J01XE01_J01XE51_,2,0.07,1,-0.28,-0.22,8.23,None,238.16,6,9,1,1,17,NEUTRAL,238.16,238.0338,0,0,118.05,0.35,N,3,TRUE,TRUE,FALSE,0,FALSE,0,O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1,Nitrofurantoin, macrocrystalline_Nitrofurantoin_NSC-2107_Ivadantin_Macrobid_Berkfurin_Nitrofurantoin anhydrous_Nitrofurantoinum anhydrous_Genfura_Macrodantin_Furadantin_Nitrofurantoin, macrocrystals_Dantafur_Ceduran_Nitrofurantoin (monohydrate/macrocrystals)_NSC-44150_Furalan_Nitrofurantoin macrocrystal_Nitrofurantoin macrocrystalline_,,,,,,
CHEMBL15891,P03AB02_,1,3.64,0,4.35,4.35,None,None,290.83,0,0,0,0,12,NA,290.83,287.8601,0,0,0,0.6,N,0,FALSE,FALSE,TRUE,0,FALSE,1,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,NSC-755895_Lorexane_Gammallin_Gexane_Hexicide_Lorexane no 3_Gamene_Lindane_Gammahexachlorcyclohexane_Benzene hexachloride gamma_Esoderm_Gammaxene_Scabene_Benzene hexachloride, gamma_Gamma Benzene HCl_Gamma benzene hexachloride_Kwell_gamma-Hexachlorocyclohexane_Hexachlorane_Quellada_Lindanum_,,,,,,,
CHEMBL575,J01CF03_,1,0.95,1,-2.69,0.79,2.96,None,380.42,6,8,2,2,26,ACID,380.42,380.1042,0,0,105.17,0.73,N,5,FALSE,TRUE,FALSE,0,FALSE,0,COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,Staphcillin_2,6-dimethoxyphenyl penicillin_Meticillin_Methicillin_,,,,,,,
CHEMBL278172,D04AB04_C05AD03_N01BA05_R02AD01_,2,1.45,1,1.5,1.5,None,2.78,165.19,3,3,1,2,12,NEUTRAL,165.19,165.079,0,0,52.32,0.53,Y,2,FALSE,FALSE,FALSE,0,FALSE,0,CCOC(=O)c1ccc(N)cc1,Burneze_Orajel_Lanacane_Flavamed_Benzocainum_AR01_NSC-4688_Aezodent_Parathesin_Anthisan plus_Ethyl p-aminobenzoate_Subcutin_Tyrosolven_Ethyl paba_NSC-41531_Children's chloraseptic_Norcaine_Ethyl aminobenzoate_AR-01_Nestosyl_Benzocaine_Dequacaine_Medilave_Anaesthesin_Baby anbesol_Parathesine_Americaine_Tyrozets_,,,,,,,,
CHEMBL578,C09AA02_,1,1.6,1,-1.06,0.59,3.67,5.2,376.45,5,7,2,2,27,ACID,376.45,376.1998,0,0,95.94,0.64,N,9,TRUE,FALSE,FALSE,1,FALSE,1,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O,Vasotec_C09AA02_Vaseretic_Olinapril_Enalapril_Lexxel_,,,,,,,,
CHEMBL580,N05BA56_N05BA06_,0,3.1,2,3.53,3.53,10.61,None,321.16,3,4,2,2,21,NEUTRAL,321.16,320.0119,0,0,61.69,0.85,N,1,TRUE,TRUE,FALSE,0,FALSE,1,O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O,Abbloraz_WY-4036_NSC-289758_Temesta_Loreev xr_Lorazepam intensol_Lorazepam civ_Lorazepam preservative free_Lorazepam_Ativan_Loraz_,,,,,,,,
CHEMBL277062,N05BA08_,2,2.63,2,2.54,2.54,12.24,2.65,316.16,3,4,1,1,19,NEUTRAL,316.16,315.0007,0,0,54.35,0.88,N,1,FALSE,FALSE,FALSE,0,FALSE,0,O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1,RO-5-3350_Lexotanil_Bromazepam civ_Bromazepam_Lexatin_NSC-140669_RO 5-3350_Lexotan_Lectopam_,,,,,,,,
CHEMBL279816,N01AB05_,2,2.5,0,2.18,2.18,None,None,131.39,0,0,0,0,5,NA,131.39,129.9144,0,0,0,0.47,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,ClC=C(Cl)Cl,Germalgene_Chlorylen_Trichloroethene_Densinfluat_Trilene_Westrosol_Trichloroethylene_Anamenth_Narkosoid_,,,,,,,,
CHEMBL277535,D01AC10_D01AC60_,0,5.19,4,5.21,5.23,None,6.36,310.4,2,2,0,0,24,NEUTRAL,310.4,310.147,1,1,17.82,0.51,N,4,FALSE,FALSE,FALSE,0,FALSE,0,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,NSC-758954_Bifonazole_D01AC10_Mycospor_BAY H 4502_BAY-H-4502_,,,,,,,,
CHEMBL583,J01MA11_,0,2.28,2,0.08,0.08,5.68,8.77,359.4,5,6,2,2,26,ZWITTERION,359.4,359.1645,0,0,74.57,0.88,N,3,TRUE,FALSE,FALSE,0,TRUE,0,Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1,Raxar_Grepafloxacin_,,,,,,,,
CHEMBL114,J05AE01_,1,3.09,3,2.05,3.16,13.61,8.47,670.86,7,11,5,6,49,NEUTRAL,670.86,670.3843,3,1,166.75,0.2,N,12,TRUE,FALSE,FALSE,0,FALSE,1,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,Saquinavirum_RO 31-8959/000_SCH-52852_Invirase_Ro-31-8959_Saquinavir_Fortovase_,,,,,,,,
CHEMBL115,J05AE02_,1,2.87,3,2.72,2.81,13.01,6.76,613.8,7,9,4,4,45,NEUTRAL,613.8,613.3628,1,1,118.03,0.26,N,11,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,Crixivan_L-735524_Indinavir anhydrous_Indinavir_Indinavir monohydrate_MK-639_Indinavir system suitability_,,,,,,,,
CHEMBL584,J05AE04_,1,4.75,2,4.09,4.72,9.32,8.18,567.8,6,7,4,4,40,NEUTRAL,567.8,567.3131,1,1,101.9,0.33,N,9,TRUE,FALSE,FALSE,0,FALSE,0,Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,NSC-747167_Nelfinavir_Viracept_,,,,,,,,
CHEMBL116,J05AE05_,1,2.4,2,2.43,2.43,13.61,2.39,505.64,7,9,3,4,35,NEUTRAL,505.64,505.2247,1,1,131.19,0.4,N,11,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,141 W94_141W94_J05AE05_Agenerase_Amprenavir_KVX-478_VX-478_,,,,,,,,
CHEMBL585,C03DB02_,2,0.83,3,1.11,1.11,None,1.86,253.27,7,7,3,6,19,NEUTRAL,253.27,253.1076,1,0,129.62,0.59,N,1,TRUE,FALSE,FALSE,0,FALSE,1,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,SK&F 8542_SK&F-8542_NSC-639359_NSC-77625_SK-8542_Dytac_Triamterene_Dyrenium_,,,,,,,,
CHEMBL118,M01AH01_L01XX33_,2,3.51,3,4.01,4.01,10.6,None,381.38,4,5,1,2,26,NEUTRAL,381.38,381.0759,0,0,77.98,0.75,N,3,TRUE,FALSE,FALSE,0,TRUE,1,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,DFN15_NSC-719627_Celebra_SC-58635_Elyxyb_NSC-758624_Onsenal_Celecoxib_Celebrex_DFN-15_,,,,,,,,
CHEMBL119,P01AX07_,2,2.74,3,1.91,2.28,None,7.54,369.43,8,8,3,5,27,NEUTRAL,369.43,369.1801,0,0,117.54,0.61,N,6,FALSE,TRUE,FALSE,0,FALSE,0,COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC,Trimetrexate_Neutrexin_CI-898_NSC-249008_,,,,,,,,
CHEMBL588,C01CA19_,0,2.73,2,1.26,1.92,8.12,10.4,305.76,4,4,4,4,21,BASE,305.76,305.0819,0,0,72.72,0.61,N,1,FALSE,TRUE,FALSE,0,FALSE,0,Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,SK-82526_Fenoldopam_Carlacor_SK&F-82526_,,,,,,,,
CHEMBL589,N04BC04_,2,2.85,1,0.36,3.06,12.27,10.17,260.38,2,3,1,1,19,BASE,260.38,260.1889,0,0,32.34,0.82,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CCCN(CCC)CCc1cccc2c1CC(=O)N2,NSC-758917_Requip_SK&F 101468_Ropinirole_,,,,,,,,
CHEMBL591,N05CM08_,0,1.51,0,1.62,1.62,12.88,None,144.6,1,1,1,1,9,NEUTRAL,144.6,144.0342,0,0,20.23,0.58,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,C#CC(O)(/C=C/Cl)CC,Normoson_Placidyl_Serenesil_Roeridorm_Serensil_Arvynol_Alvinol_Ethchlorvynol_Nostel_Ethchlorvynol civ_NSC-30372_,,,,,,,,
CHEMBL17157,R06AX12_,0,6.45,3,4.85,6.48,13.2,9.02,471.69,3,3,2,2,35,BASE,471.69,471.3137,1,1,43.7,0.4,N,8,FALSE,FALSE,FALSE,1,TRUE,0,CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,Histafen 120_Terfinax 60_NSC-665802_Histafen_NSC-758627_RMI 9918_Seldane_Terfenadine_RMI-9918_Terfenor_Terfenor fte_Triludan_Triludan fte_Terfinax 120_Antihistamine_Terfex_,,,,,,,,
CHEMBL592,,1,3.08,1,0.93,2.9,10.46,9.66,257.38,2,2,1,1,19,BASE,257.38,257.178,0,0,23.47,0.77,N,0,TRUE,TRUE,FALSE,0,FALSE,1,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,RO 1-5431_Levorphanol_Aromarone_Levorphan_IDS-NL-007_,,,,,,,,
CHEMBL593,J05AG02_,2,2.72,3,0.92,1.02,9.39,6.82,456.57,6,9,3,3,32,NEUTRAL,456.57,456.1944,0,0,110.43,0.53,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1,Delavirdine_U-90152_,,,,,,,,
CHEMBL594,S01GX06_,2,2.21,2,1.21,2.49,None,8.66,302.42,5,5,0,0,22,BASE,302.42,302.2107,0,0,33.53,0.79,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21,Emadine_Emedastine_,,,,,,,,
CHEMBL595,A10BG03_,0,3.16,2,2.74,3.33,6.66,5.6,356.45,5,5,1,1,25,NEUTRAL,356.45,356.1195,0,0,68.29,0.83,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,Pioglitazone_Actos_AD-4833_Glustin_Duetact_Zactos_U-72107_,,,,,,,,
CHEMBL17350,,1,2.8,2,1.04,2.06,9.54,8.64,327.42,4,4,3,3,24,BASE,327.42,327.1834,0,0,63.93,0.81,N,4,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1,CP-101,606_Traxoprodil_CP-101606_Cp-101,606_,,,,,,
CHEMBL596,N02AB03_N01AH01_N01AH51_,2,4.14,2,2.43,3.82,None,8.77,336.48,2,3,0,0,25,BASE,336.48,336.2202,0,0,23.55,0.79,N,6,TRUE,TRUE,TRUE,0,FALSE,1,CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,Abstral_Osmach_Oralet_Fentalis reservoir_Subsys_Fentanest_Victanyl_Leptanal_Duragesic-25_Effentora_Tilofyl_Sublimaze_Duragesic-12_En3267_Recivit_EN-3267_Mezolar matrix_Durogesic d-trans_R 4263_Durogesic dtrans_Actiq_Abstral-_Fentanyl-37_Fentanyl-25_Fentanyl-62_AD-923_Fentanyl cii_AD 923_Fentora_Fentanyl_N02AB03_Duragesic_Matrifen_Recuvyra_Fentanyl-87_Duragesic-100_Duragesic-50_Duragesic-75_Breakyl_Yemex_Sublimase_Fendrop_Fentanyl-75_Mylafent_Ionsys_Duragesic-37_Fentanyl-100_Opiodur_IDS-NF-001_Innovar_Durogesic_Fentanyl-50_Fentanyl-12_Osmanil_Pecfent_Fencino_Phentanyl_,,,,,,,,
CHEMBL121,A10BG02_,0,2.49,2,2.21,2.45,6.84,6.23,357.44,6,6,1,1,25,NEUTRAL,357.44,357.1147,0,0,71.53,0.82,N,7,TRUE,FALSE,FALSE,0,TRUE,1,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,Avandamet_BRL-49653_Rosvel_Rosiglitazone_Avandia_Avandaryl_Gaudil_Rezult_TDZ-01_Rosiglizole_NSC-758698_,,,,,,,,
CHEMBL17879,,1,6.62,3,2.69,2.7,None,5.68,710.42,6,7,1,1,48,NEUTRAL,674.97,674.3986,2,2,70.08,0.21,N,13,TRUE,FALSE,FALSE,0,FALSE,0,CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)[C@H]1O.[Cl-],LUM-001_LUM001_Livmarli_Lopixibat chloride_Maralixibat chloride_,,,,,,,,
CHEMBL17860,N07BC04_,0,2.76,1,0.9,2.66,None,9.27,259.14,3,3,1,1,16,BASE,259.14,258.0327,0,0,33.62,0.91,Y,3,TRUE,FALSE,FALSE,0,FALSE,0,CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,Lofexidine_,,,,,,,,
CHEMBL597,C04AB01_V03AB36_,2,2.84,2,1.3,2.52,9.78,9.02,281.36,4,4,2,2,21,BASE,281.36,281.1528,0,0,47.86,0.91,N,4,FALSE,TRUE,FALSE,0,FALSE,0,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,Phentolamin_Phentolamine_,,,,,,,,
CHEMBL18442,L03AX16_,2,0.42,1,-8.63,-0.43,None,10.23,502.8,8,8,6,6,36,BASE,502.8,502.4471,2,2,78.66,0.35,N,4,FALSE,TRUE,FALSE,0,FALSE,0,c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1,Plerixafor hydrochloride_AMD 3100_Plerixafor octahydrochloride_AMD3100_Mozobil_JM 3100_Plerixafor_SID 791_,,,,,,,,
CHEMBL599,M01AC56_M01AC06_,2,1.95,2,-1.1,1.6,4.47,0.47,351.41,6,7,2,2,23,ACID,351.41,351.0347,0,0,99.6,0.86,N,2,TRUE,FALSE,FALSE,0,FALSE,1,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,Qmiiz odt_Meloxidyl_Rheumocam_Metacam_N1539_Inflacam_Meloxivet_UHAC-62XX_Acticam_N-1539_Emdocam_Mobic_Coxicam_Vivlodex_Movatec_Loxicom_Recocam_Meloxicam_Anjeso_Melosus_Meloxoral_UH-AC 62XX_UH-AC-62 XX_Melovem_Melfax_Revitacam_Contacera_Flexicam_Meloxidolor_,,,,,,,,
CHEMBL601,L01XD04_,2,-0.62,0,-3.37,-3.25,4.05,7.84,131.13,3,4,2,3,9,ACID,131.13,131.0582,0,0,80.39,0.53,N,4,FALSE,FALSE,FALSE,0,FALSE,0,NCC(=O)CCC(=O)O,Levulan_Aminolevulinic acid_.delta.-aminolevulinic acid_,,,,,,,,
CHEMBL602,A16AA04_S01XA21_,2,-0.13,0,-2.2,-0.42,9.42,10.4,77.15,2,1,2,2,4,BASE,77.15,77.0299,0,0,26.02,0.42,Y,1,TRUE,FALSE,TRUE,0,FALSE,0,NCCS,Cystagon_Mercaptamine_L-1573_Procysbi_NSC-647528_Cysteamine_MEA_,,,,,,,,
CHEMBL19019,N07BB04_,1,1.53,1,0.13,1.36,10.11,8.88,341.41,5,5,2,2,25,BASE,341.41,341.1627,0,0,70,0.85,N,2,TRUE,TRUE,FALSE,0,FALSE,1,O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,Trexal_EN-1639A_Celupan_EN-1639A [AS HYDROCHLORIDE]_Revia_NSC-758439_Trexan_Naltrexone_Vivitrol_EN-1639A FREE BASE_,,,,,,,,
CHEMBL603,R03DC01_,2,5.7,4,5.46,6.4,4.29,None,575.69,7,9,2,2,41,ACID,575.69,575.209,2,2,115.73,0.28,N,8,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12,Zafirlukast_Ici-204,219_Accolate_ICI 204,219_ICI-204219_,,,,,,
CHEMBL122,M01AH02_,2,2.56,2,2.56,2.56,13.12,None,314.36,4,4,0,0,22,NEUTRAL,314.36,314.0613,0,0,60.44,0.82,N,3,TRUE,FALSE,FALSE,0,TRUE,1,CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1,Rofecoxib_TRM-201_MK0966_MK-0966_NSC-758705_M01AH02_NSC-720256_Vioxx_MK-966_,,,,,,,,
CHEMBL19236,C02AC05_,2,0.82,1,1.3,1.54,None,7.26,241.68,6,6,2,2,16,NEUTRAL,241.68,241.073,0,0,71.43,0.75,N,2,FALSE,FALSE,FALSE,0,FALSE,0,COc1nc(C)nc(Cl)c1NC1=NCCN1,LY326869_BDF5896_BDF-5896_Moxonidine_LY-326869_BE-5895_BE5895_Physiotens_Fisiotens_Normatens_Cynt_Norcynt_Nucynt_,,,,,,,,
CHEMBL19224,G04BE52_G04BE02_A03AD01_,2,3.86,3,3.06,3.08,None,6.03,339.39,5,5,0,0,25,NEUTRAL,339.39,339.1471,0,0,49.81,0.68,N,6,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,NSC-136630_Papaverinum_Papaverine_,,,,,,,,
CHEMBL605,,2,1.34,1,-0.7,0.95,None,9.04,271.79,3,4,2,3,17,BASE,235.33,235.1685,0,0,58.36,0.73,N,6,TRUE,TRUE,FALSE,0,FALSE,1,CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl,Biocoryl_Procan_Procapan_Procainamide hcl_Pronestyl-sr_Procanbid_Amidoprocaine_Procainamide hydrochloride_NSC-757279_Procainamide HCl_Procainamidi hydrochloridum_Novocainamid_Cardiorytmin_Pronestyl_Procan sr_,,,,,,,,
CHEMBL19215,G02CB05_,1,4.06,3,3.11,3.99,None,8.22,403.53,4,5,1,1,30,NEUTRAL,403.53,403.226,0,0,46.5,0.71,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,Liserdol_MCE_NSC-755878_FI-6337_FI 6337_Metergoline_,,,,,,,,
CHEMBL606,G02AD06_A02BB01_,0,3.95,0,3.86,3.86,None,None,382.54,5,5,2,2,27,NEUTRAL,382.54,382.2719,0,0,83.83,0.29,N,13,TRUE,FALSE,FALSE,1,FALSE,1,CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC,Mysodelle_Topogyne_Cytotec_SC-29333_Misoprostol_,,,,,,,,
CHEMBL278623,V04CD06_,1,1.84,4,0.69,1.67,12.4,8.34,474.57,4,9,6,7,35,NEUTRAL,474.57,474.2379,1,1,144.9,0.15,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O,EP-1572_JMV 1843_Ard-07_Solorel_JMV-1843_ARD-07_Macrilen_EP-01572_AEZS-130_EP01572_Macimorelin_,,,,,,,,
CHEMBL278462,,1,3.34,1,3.39,3.45,None,6.62,216.33,1,2,1,1,16,NEUTRAL,216.33,216.1626,0,0,28.68,0.75,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1,(-)-GT-2331_GT-2331_Cipralisant, (-)-_Cipralisant_,,,,,,,
CHEMBL607,N02AB52_N02AB02_N02AB72_,2,2.21,1,1.63,2.46,None,8.16,247.34,3,3,0,0,18,NEUTRAL,247.34,247.1572,0,0,29.54,0.77,Y,3,TRUE,TRUE,FALSE,0,FALSE,1,CCOC(=O)C1(c2ccccc2)CCN(C)CC1,Isonipecaine_IDS-NP-001_Meperidine_Pethidineter_Pethanol_Renaudin_Meperidol_Pethidine dbl_Pethidine_,,,,,,,,
CHEMBL608,C10AX02_,2,9.91,2,10.57,10.57,10.29,None,516.86,4,2,2,2,35,NEUTRAL,516.86,516.3096,2,2,40.46,0.31,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,Probucol_NSC-86225_Bisbid_NSC-652160_Lurselle_Lorelco_Sinlestal_DH-581_,,,,,,,,
CHEMBL609,A16AX12_,2,-1.92,0,-6.3,-2.15,None,9.77,146.24,4,4,4,6,10,BASE,146.24,146.1531,1,0,76.1,0.32,N,7,TRUE,FALSE,FALSE,0,FALSE,0,NCCNCCNCCN,Trientine_NSC-443_Trethylenetetramine_Syprine_Triethylene tetramine_Triethylene tetraamine_,,,,,,,,
CHEMBL611,G04CA03_,0,1.06,2,0.95,1.18,None,7.24,387.44,8,9,1,2,28,NEUTRAL,387.44,387.1907,0,0,103.04,0.83,N,4,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC,Hytrin_Terazosabb_Terazosin_,,,,,,,,
CHEMBL612,N06BA02_,1,1.58,1,-0.67,1.8,None,10.01,135.21,1,1,1,2,10,BASE,135.21,135.1048,0,0,26.02,0.65,Y,2,TRUE,FALSE,FALSE,0,FALSE,1,C[C@H](N)Cc1ccccc1,Dexampex_Dexedrine_Dexidrine_Dexamfetamine_Ferndex_Dextrostat_Amfetamine, (s)-_NSC-73713_Dexamphetamine_Dextroamphetamine_Dextroamphetamine resin complex_Amphetamine, d-_D-amphetamine_,,,,,,
CHEMBL282724,C02KX03_,2,3.96,3,2.6,3.09,6.89,0.75,454.91,8,8,1,1,29,NEUTRAL,454.91,454.006,0,0,107.73,0.56,N,6,FALSE,FALSE,FALSE,0,TRUE,0,Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2,IPI-1040_TBC-11251_Sitaxentan_Sitaxsentan_,,,,,,,,
CHEMBL614,J04AK01_,2,-0.42,1,-1.23,-1.23,13.06,None,123.11,3,4,1,2,9,NEUTRAL,123.11,123.0433,0,0,68.87,0.55,N,1,TRUE,FALSE,FALSE,1,FALSE,0,NC(=O)c1cnccn1,Pyrazinecarboxamide_Novamid_NSC-14911_Isopas_Pyrazine carboxylamide_D-50_Pirilene_Pyrazide_Farmizina_Tebrazid_.alpha.-pyrazinamide_MK-56_Pyramizade_Pyrazinamide_Zinamide_Rozide_Pirazimida_Aldinamid_Aldinamide_Pyrafat_Eprazin_Pyrazinamidum_Unipyranamide_Pirazinamid_,,,,,,,,
CHEMBL282042,,1,3.09,3,2.05,3.16,13.61,8.47,766.96,7,11,5,6,49,NEUTRAL,670.86,670.3843,3,1,166.75,0.2,N,12,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1.CS(=O)(=O)O,Saquinavir methanesulfonate salt_RO-318959003_RO 31-8959/003_Saquinavir mesilate_Ro-31-8959-003_Saquinavir mesylate_Invirase_Fortovase_,,,,,,,,
CHEMBL20883,L01BC03_L01BC53_,0,-0.02,1,-0.06,0.02,8.08,None,200.17,4,5,1,1,14,NEUTRAL,200.17,200.0597,0,0,64.09,0.69,N,1,FALSE,FALSE,FALSE,0,FALSE,0,O=c1[nH]c(=O)n(C2CCCO2)cc1F,Futraful_Youfuding_Atillon_Tegafur_Uftoral_Franrose_Lifril_BMS-200604_MJF-12264_Tegafur-uracil_Lamar_Furafluor_Fental_Neberk_NSC-148958_FT-207_Nitobanil_Furofutran_Ftorafur_Sinoflurol_Citofur_Fulfeel_Fulaid_J356.722B_Exonal_Sunfural_Tefsiel c_Coparogin_,,,,,,,,
CHEMBL615,J01CE02_,1,0.7,1,-2.64,0.76,3.39,None,350.4,5,7,2,2,24,ACID,350.4,350.0936,0,0,95.94,0.76,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O,Penicillin v_Penapar-VK_Phenoxymethylpenicillinum_Veetids_Phenoxymethylpenicillin_Vebecillin_Penicillin phenoxymethyl_Penicillin-VK_Distaquaine v_Phenomycilline_V-cillin_,,,,,,,,
CHEMBL617,J01DB03_,1,0.59,1,-3.38,0.02,3.43,None,396.45,7,8,2,2,26,ACID,396.45,396.045,0,0,113.01,0.53,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1,Seffin_Cefalotin_Cephalothin_,,,,,,,,
CHEMBL125,P01CX04_,0,5.68,0,4.27,2.25,1.88,None,407.58,4,5,0,0,27,ACID,407.58,407.3164,1,1,58.59,0.15,N,20,TRUE,FALSE,FALSE,0,FALSE,1,CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,D-18506_Miltex_Impavido_Miltefosine_NSC-758968_NSC-605583_HDPC_,,,,,,,,
CHEMBL126,J01XX08_,1,1.12,1,0.64,0.64,None,None,337.35,5,7,1,1,24,NEUTRAL,337.35,337.1438,0,0,71.11,0.89,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1,Pnu-100766_Linezolid_U-100766_U-100,766_Zyvox_,,,,,,,
CHEMBL620,,0,2.7,2,-1.08,-1.08,11.05,None,352.45,3,4,1,1,26,NEUTRAL,352.45,352.1907,0,0,46.53,0.68,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2,Clidinium_Clidinium ion_Clidinium cation_,,,,,,,,
CHEMBL127,J01DH02_,1,-0.31,0,-4.36,-4.35,3.28,9.39,383.47,6,8,3,3,26,ZWITTERION,383.47,383.1515,0,0,110.18,0.56,N,5,FALSE,TRUE,FALSE,0,FALSE,0,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12,Meropenem anhydrous_Meropenem hydrate_Merrem iv_NSC-759621_Merrem i.v._Meropenem trihydrate_Meropenem, anhydrous_SM-7338_Meropenem (as trihydrate)_Meropenem_Meronem_ICI-194660_Merrem_ICI 194,660_,,,,,,
CHEMBL621,N06AX05_,2,2.36,3,2.96,3.13,None,7.09,371.87,6,6,0,0,26,NEUTRAL,371.87,371.1513,0,0,45.78,0.69,N,5,TRUE,FALSE,FALSE,0,FALSE,1,O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,Trialodine_J10.767K_Trittico_Desyrel_Trazodone_,,,,,,,,
CHEMBL622,M01AB08_,0,3.38,2,0.83,3.44,4.73,None,287.36,2,4,2,2,21,ACID,287.36,287.1521,0,0,62.32,0.91,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,Edolan_Ultradol_AY-24,236_Eccoxolac_NIH-9918_Flancox_Lodine xl_Tedolan_Lodine sr_Napilac_Lodine_AY-24236_AY-24-236_NSC-282126_Ramodar_Etodolac_Etodolic acid_Etolyn_Zedolac_Etopan xl_Ebretin_Lodin xl_(rs)-etodolic acid_,,,,,,,
CHEMBL22108,R06AB03_D04AA13_,0,4.15,2,1.46,3.74,None,9.7,292.43,2,2,0,0,22,BASE,292.43,292.1939,0,0,16.13,0.82,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,Dimethpyrindene_Dimetindene_Forhistal_Feniallerg_,,,,,,,,
CHEMBL623,N06AX06_,2,3.55,3,4.48,4.65,None,7.09,470.02,7,7,0,0,33,NEUTRAL,470.02,469.2245,0,0,55.53,0.45,N,10,TRUE,FALSE,FALSE,0,FALSE,1,CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,Nefazodone_,,,,,,,,
CHEMBL625,D01AC06_P02CA02_,2,2.69,3,2.33,2.33,10.28,4.08,201.25,3,3,1,1,14,NEUTRAL,201.25,201.0361,0,0,41.57,0.66,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,c1ccc2[nH]c(-c3cscn3)nc2c1,Thiabendazole_MK-360_Omnizole_Pitrizet_NSC-90507_Lombristop_NSC-525040_Mintezol_E233_Nemapan_Equizole_Thiabenzole_Minzolum_Tiabendazole_,,,,,,,,
CHEMBL22055,,2,6.52,6,6.63,6.87,9.07,7.57,667.74,8,9,2,2,48,NEUTRAL,667.74,667.2065,2,2,97.6,0.16,N,10,FALSE,FALSE,FALSE,0,FALSE,0,CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,Sufugolix_Tak-013_TAK-013_,,,,,,,,
CHEMBL626,D01AE22_,2,4.99,3,3.64,5.24,None,8.99,287.41,1,1,0,0,22,BASE,287.41,287.1674,0,0,3.24,0.64,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12,Naft-500_Naftifine_AW-105-843_,,,,,,,,
CHEMBL277474,N02BB71_S02DA03_N02BB51_N02BB01_,2,1.48,2,1.22,1.22,None,0.49,188.23,3,3,0,0,14,NEUTRAL,188.23,188.095,0,0,26.93,0.67,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(=O)n(-c2ccccc2)n1C,Phenazone_NSC-7945_Phenazon_Antipyrine_Antipyrinum_Antipyrin_,,,,,,,,
CHEMBL22097,N05CD06_,0,3.13,2,3.39,3.39,10.68,None,335.19,3,4,1,1,22,NEUTRAL,335.19,334.0276,0,0,52.9,0.87,N,1,FALSE,FALSE,FALSE,0,FALSE,0,CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21,Chlorotemazepam_Loramet_WY-4082_Methyllorazepam_Lormetazepam_,,,,,,,,
CHEMBL628,C04AD03_,2,0.19,2,0.23,0.23,None,None,278.31,7,7,0,0,20,NEUTRAL,278.31,278.1379,0,0,78.89,0.73,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,C04AD03_Neotren mr_NSC-758481_NSC-637086_Pentoxiphyllin_Oxypentifylline_Trental 100_BL 191_BL-191_Pentoxil_Trental_Trental 400_Pentoxifylline_Oxpentifylline_,,,,,,,,
CHEMBL629,N06AA09_,2,4.17,2,2.48,4.81,None,9.76,277.41,1,1,0,0,21,BASE,277.41,277.183,0,0,3.24,0.81,N,3,TRUE,TRUE,FALSE,0,FALSE,1,CN(C)CCC=C1c2ccccc2CCc2ccccc21,Amitid_Limbitrol_Damitriptyline_Amitril_Laroxyl_Etrafon-A_Amitriptyline_Endep_Flavyl_Proheptadiene_Seroten_Elavil_Triptanol_Etrafon-Forte_,,,,,,,,
CHEMBL128,N02CC01_,2,1.32,2,-1.24,0.74,11.24,9.54,295.41,3,5,2,2,20,BASE,295.41,295.1354,0,0,65.2,0.84,N,6,TRUE,TRUE,TRUE,0,FALSE,0,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,Imitrex_Tosymra_Sumatriptan_N02CC01_,,,,,,,,
CHEMBL631,C01BC03_,0,3.24,2,1.34,3.54,None,9.63,341.45,4,4,2,2,25,BASE,341.45,341.1991,0,0,58.56,0.49,N,11,TRUE,FALSE,FALSE,0,FALSE,1,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,Propafenon hexal_GNF-Pf-4594_Propafenone_Rythmol_,,,,,,,,
CHEMBL632,D07AC01_D07XC01_H02AB01_S02BA07_S01CB04_S03BA03_R03BA04_S01BA06_A07EA04_R01AD06_C05AA05_,1,1.9,0,1.68,1.68,12.42,None,392.47,5,5,3,3,28,NEUTRAL,392.47,392.1999,0,0,94.83,0.67,N,2,TRUE,FALSE,TRUE,0,FALSE,0,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,BETA-VAL_Alphatrex_Betamethasone_Taclonex_Dermabet_Lotrisone_Uticort_SCH-4831_Betnelan_VISUBETA_Betasolan_SCH 4831_Celestone_Flubenisolone_NSC-39470_Betatrex_,,,,,,,,
CHEMBL633,C01BD01_,2,6.94,3,6.53,7.64,None,8.47,645.32,4,4,0,0,31,NEUTRAL,645.32,645.0237,2,2,42.68,0.17,N,11,TRUE,TRUE,FALSE,0,FALSE,1,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,Pacerone_L-3428_SKF 33134-A_Cordarone_Amiodarone_,,,,,,,,
CHEMBL634,N01AH02_,2,1.38,2,2.45,2.81,None,7.5,416.53,8,9,0,0,30,NEUTRAL,416.53,416.2536,0,0,85.49,0.61,N,9,FALSE,TRUE,FALSE,0,FALSE,1,CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1,Afentanyl_Alfentanil_IDS-NA-014_R-39209-_R-39209_Alfentanyl_,,,,,,,,
CHEMBL635,A07EA03_H02AB07_,1,1.77,0,1.66,1.66,12.58,None,358.43,5,5,2,2,26,NEUTRAL,358.43,358.178,0,0,91.67,0.78,N,2,TRUE,FALSE,FALSE,1,FALSE,0,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,Prednicen-m_Decortisyl_Liquid pred_Meticorten_Cortan_Prednisone tablets_Supercortil_Lodotra_3en3hg4wsw_Paracort_Orasone_Decortin_Prednisone intensol_NSC-10023_Metacortandracin_Rayos_Dehydrocortisone_Fernisone_Prednisone_Deltasone_Sterapred_Delta-dome_Prednisone anhydrous_Servisone_Cortancyl_,,,,,,,,
CHEMBL636,N06DA03_,1,2.76,1,1,2.41,None,8.8,250.34,3,4,0,0,18,BASE,250.34,250.1681,0,0,32.78,0.82,N,4,TRUE,FALSE,TRUE,0,FALSE,0,CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1,Rivastigmine_Voleze_Exelon_Rivastigmine hexal_Erastig_SDZ-212713_SDZ-212-713_ONO-2540_Kerstipon_Prometax_Nimvastid_SDZ-ENA-713_Eluden_ENA-713D_Rivastigmine teva_ENA-713_Rivastigmine sandoz_Alzest_Somniton_,,,,,,,,
CHEMBL637,N06AX16_,0,3.04,1,1.22,2.74,None,8.91,277.41,3,3,1,1,20,BASE,277.41,277.2042,0,0,32.7,0.9,N,5,TRUE,FALSE,FALSE,0,FALSE,1,COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1,Depefex xl_Venaxx xl_Foraven xl_Ranfaxine xl_Mentaven xl_Vaxalin xl_Kanghong_Trixat xl_Efexor_Alventa xl_Politid xl_Sunveniz xl_Trevilor_NSC-758676_Efectin_Rodomel xl_Viepax_Velafax_Vensir xl_Tardcaps xl_Vexarin xl_Amphero xl_Tonpular xl_Tifaxin xl_Winfex xl_Effexor_Viepax xl_Venlalic xl_Bonilux xl_Venlaneo xl_Venladex xl_Venlor_Venlafaxine_Efexor xl_Venlablue xl_,,,,,,,,
CHEMBL129,J05AF01_,1,-0.2,1,-0.41,-0.3,9.96,None,267.25,6,9,2,2,19,NEUTRAL,267.25,267.0968,0,0,133.08,0.45,N,3,TRUE,TRUE,FALSE,1,FALSE,1,Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,Zidovudine_COMPOUND S_BW A509U_BW-A-509U_Retrovir_COMPOUND-S_BW-A509U_Zidovudinum_AZT_Azidothymidine_NSC-602670_BWA509U_3'-azt_,,,,,,,,
CHEMBL638,J02AC03_,1,2.18,3,1.82,1.82,12.7,2.01,349.32,6,6,1,1,25,NEUTRAL,349.32,349.115,0,0,76.72,0.76,N,5,TRUE,TRUE,FALSE,0,FALSE,0,C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F,Voriconazole_UK-109,496_Vfend_NSC-759888_UK-109496_,,,,,,,
CHEMBL639,R01AC03_R06AX19_S01GX07_,0,4.3,3,2.55,4.04,None,8.88,381.91,4,4,0,0,27,BASE,381.91,381.1608,0,0,38.13,0.68,N,3,FALSE,FALSE,TRUE,0,FALSE,0,CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,Azelastine_NSC-758971_,,,,,,,,
CHEMBL130,S01AA01_S03AA08_D06AX02_G01AA05_S02AA01_D10AF03_J01BA01_,1,0.91,1,0.86,0.88,8.69,None,323.13,5,7,3,3,20,NEUTRAL,323.13,322.0123,0,0,112.7,0.41,N,6,TRUE,TRUE,TRUE,0,TRUE,1,O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,Chloramex_NSC-16331_Chlorofair_Econochlor_Klorafect_Chlorbiotic_Brolene antibiotic_9-phenyl-9h-xanthen-9-ol_Sno phenicol_Tubilux infected eyes_Brochlor_Tevcocin_Optomycin_Xanthen-9-ol, 9-phenyl-_Kernispray_Kemicetine_9-hydroxy-9-phenylxanthene_Mychel_Ophthochlor_NSC-3069_Golden eye antibiotic_Chloroptic s.o.p._Chloromycetin_Chloramphenicol_Chloroptic_Amphicol_Mychel-S_,,,,,,,
CHEMBL640,C01BA02_,2,1.34,1,-0.7,0.95,None,9.04,235.33,3,4,2,3,17,BASE,235.33,235.1685,0,0,58.36,0.73,N,6,TRUE,TRUE,FALSE,0,FALSE,1,CCN(CC)CCNC(=O)c1ccc(N)cc1,Novocainamide_Procan_Procainamide_Procapan_NSC-27461_Procanbid_Pronestyl-SR_Pronestyl_Sp 100 (pharmaceutical)_,,,,,,,,
CHEMBL641,N06BA09_,1,3.72,2,1.46,3.81,None,9.8,255.36,2,2,1,1,19,BASE,255.36,255.1623,0,0,21.26,0.85,N,6,TRUE,FALSE,FALSE,0,FALSE,1,CNCC[C@@H](Oc1ccccc1C)c1ccccc1,Atomoxetine_Strattera_,,,,,,,,
CHEMBL642,C07AB04_,0,2.37,1,-0.6,1.53,13.91,9.57,336.43,5,6,3,3,24,BASE,336.43,336.2049,0,0,87.66,0.57,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1,Acebutolol_C07AB04_Sectral_,,,,,,,,
CHEMBL643,R06AD52_D04AA10_R06AD02_,0,4.24,2,2.64,4.29,None,9.05,284.43,3,2,0,0,20,BASE,284.43,284.1347,0,0,6.48,0.83,N,3,TRUE,TRUE,TRUE,0,FALSE,1,CC(CN1c2ccccc2Sc2ccccc21)N(C)C,RP-3277_Dimapp_Promethazine_Zipan-50_NSC-30321_Prothazin_Zipan-25_Fargan_Diphergan_Proazamine_Prometazin_Vallergine_Procit_Promethegan_Protazine_Remsed_Phenergan_Promethacon_,,,,,,,,
CHEMBL131,S02BA03_D07XA02_R01AD02_D07AA03_R01AD52_C05AA04_S03BA02_A07EA01_H02AB06_A01AC54_S01BA04_S01CB02_,1,1.56,0,1.27,1.27,12.59,None,360.45,5,5,3,3,26,NEUTRAL,360.45,360.1937,0,0,94.83,0.69,N,2,TRUE,FALSE,TRUE,0,FALSE,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,Delta-cortef_Scheriproct_Dilacort_Dekotil_Desowen_Pevanti_Hydeltra_NSC-9120_Prednisolone_Fernisolone-p_Hydeltra-Tba_Precortisyl fte_Verdeso_NSC-9900_Precortisyl_Tridesilon_Sterane_Cortalone_Deltalone_Pred-G_Deltacortril_Meticortelone_Prelone_Meti-derm_Neo-Delta-Cortef_Servisone_Poly-Pred_,,,,,,,,
CHEMBL644,N06AA06_,0,4.12,2,2.75,4.76,None,9.42,294.44,2,2,0,0,22,BASE,294.44,294.2096,0,0,6.48,0.84,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21,IL 6001_Trimeproprimine_Surmontil_7162 RP_Trimipramine_7162-RP_IL-6001_,,,,,,,,
CHEMBL645,C07AB07_,0,2.37,1,-0.03,2.2,None,9.67,325.45,5,5,2,2,23,BASE,325.45,325.2253,0,0,59.95,0.58,N,12,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1,Ziac_Zebeta_EMD 33 512_Bisoprolol_CL 297,939_EMD-33-512_CL-297939_,,,,,,,
CHEMBL646,N05CD05_,2,4.23,3,3.63,3.63,None,4.26,343.22,4,4,0,0,23,NEUTRAL,343.22,342.0439,0,0,43.07,0.66,N,1,TRUE,FALSE,FALSE,0,TRUE,1,Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,Triazolam_U-33030_Triazolam civ_Kention_Halcion_N05CD05_U-33,030_,,,,,,,
CHEMBL647,S01EA03_,2,1.76,1,-0.16,1.21,None,9.71,245.11,2,4,3,4,15,BASE,245.11,244.0283,0,0,62.44,0.66,N,1,FALSE,FALSE,TRUE,0,FALSE,0,Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1,Iopidine_Apraclonidine_,,,,,,,,
CHEMBL648,R06AE53_R06AE03_,2,3.02,2,2.68,3.55,None,8.2,266.39,2,2,0,0,20,NEUTRAL,266.39,266.1783,0,0,6.48,0.84,N,3,FALSE,TRUE,FALSE,0,FALSE,0,CN1CCN(C(c2ccccc2)c2ccccc2)CC1,Marezine_NSC-26608_Cyclizine_,,,,,,,,
CHEMBL434394,C07AB12_,0,2.36,2,1.71,3.21,13.52,8.9,405.44,5,5,3,3,29,BASE,405.44,405.1752,0,0,70.95,0.69,N,6,TRUE,FALSE,FALSE,0,FALSE,0,OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,Nebilet_R-65824_Nebivolol_R65,824_Hypoloc_Narbivolol_,,,,,,,
CHEMBL649,C07AA12_,0,0.63,1,-1.44,0.87,13.59,9.76,309.41,5,5,4,4,22,BASE,309.41,309.194,0,0,81.95,0.64,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2,Nadolol_Solgol_SQ-11725_NSC-758430_SQ 11725_Corgard_,,,,,,,,
CHEMBL650,H02BX01_D07AA01_D10AA02_H02AB04_,1,1.8,0,1.56,1.56,12.59,None,374.48,5,5,3,3,27,NEUTRAL,374.48,374.2093,0,0,94.83,0.69,N,2,TRUE,FALSE,TRUE,0,FALSE,0,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,Methylprednisolone_NSC-19987_Medrol_U-67,590A_Medrone_J3.872E_,,,,,,,
CHEMBL651,N02AC52_N07BC02_,0,4.29,2,3.29,5.01,None,9.12,309.45,2,2,0,0,23,BASE,309.45,309.2093,0,0,20.31,0.76,N,7,TRUE,TRUE,FALSE,0,FALSE,1,CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1,Amidone_Diaminon_Methadone_Dl-methadone_Methadose_Dolophine_Phy_Dolophin_Westadone_Metasedin_IDS-NM-002_Phenadone_Symoron_Heptadone_Heptadon_Physeptone_,,,,,,,,
CHEMBL652,C01BC04_,0,3.44,1,1.01,3.19,13.68,9.62,414.35,4,5,2,2,28,BASE,414.35,414.1378,0,0,59.59,0.67,N,7,TRUE,FALSE,FALSE,0,FALSE,1,O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,THN-102 COMPONENT FLECAINIDE_Flecainide_NSC-719273_,,,,,,,,
CHEMBL134,C02AC01_N02CX02_S01EA04_,2,2.17,1,0.73,2.04,None,9.34,230.1,1,3,2,2,14,BASE,230.1,229.0174,0,0,36.42,0.78,Y,1,TRUE,TRUE,TRUE,0,FALSE,1,Clc1cccc(Cl)c1N=C1NCCN1,Catapres-tts-1_Catarpres-tts_ST-155BS_ST-155-BS_Duraclon_Catapres-tts-2_Nexiclon xr_Catapres_Catapres-tts-3_Clonidine extended release_Clorpres_Combipres_Clonidine_,,,,,,,,
CHEMBL654,N06AX11_,0,2.48,2,3.13,3.21,None,6.67,265.36,3,3,0,0,20,NEUTRAL,265.36,265.1579,0,0,19.37,0.73,Y,0,TRUE,FALSE,FALSE,0,FALSE,1,CN1CCN2c3ncccc3Cc3ccccc3C2C1,ORG 3770_6-azamianserin_Promyrtil_Rexer_Remeron_Mirtazapin_Mirtazapine anhydrous_ORG-3770_Norset_Remeron soltab_Zispin_Mirataz_Avanza_Mirtazapine_,,,,,,,,
CHEMBL655,N05CD08_,2,4.32,3,3.95,3.97,None,6.19,325.77,3,3,0,0,23,NEUTRAL,325.77,325.0782,0,0,30.18,0.65,N,1,TRUE,TRUE,TRUE,0,FALSE,1,Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2,USL-261_Midazolam_USL261_Midazolam civ_Midazolam in 0.9% sodium chloride_Nayzilam_,,,,,,,,
CHEMBL22242,N05AL04_,1,2.68,1,1.3,2.34,13.06,8.4,371.28,4,5,1,1,22,NEUTRAL,371.28,370.0892,0,0,50.8,0.84,N,6,FALSE,FALSE,FALSE,0,TRUE,0,CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC,FLA-731(-)_FLA 731_A 33547_A-33547_Remoxipride_Roxiam_,,,,,,,,
CHEMBL656,N02AA05_,1,1.05,1,0.16,1.03,13.57,8.21,315.37,5,5,1,1,23,NEUTRAL,315.37,315.1471,0,0,59,0.84,N,1,TRUE,FALSE,FALSE,0,TRUE,1,COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,Oxycontin_Proladone_Pavinal_Oxymorphone 3-methyl ether_PTI-821_N02AA05_IDS-NO-002_Oxicone_(-)-14-hydroxydihydrocodeinone_Oxycodone cii_NSC-19043_PF-00345439_Xtampza er_Xtampza_14-hydroxydihydrocodeinone_Pti 821_Remoxy_Dihydrone_Oxycodone_,,,,,,,,
CHEMBL135,G03CA53_G03CA03_,1,3.61,1,3.74,3.75,10.33,None,272.39,2,2,2,2,20,NEUTRAL,272.39,272.1776,0,0,40.46,0.76,N,0,TRUE,FALSE,TRUE,0,FALSE,1,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,Femseven 75_Estrasorb_Estradiol hemihydrate_Evamist_Vagifem_Agofollin_Dermestril septem 50_Estrogel_Adgyn estro_E-Cypionate_Fematrix 40_Femseven 100_Estraderm_Dermestril 25_Menorest 37.5_Estraderm mx 50_Elleste solo mx 40_Climara_Estradiol anhydrous_Menorest 50_NSC-9895_Sandrena_Minivelle_Alfatradiol_Elleste solo_Vagifem 18_Estraderm mx 25_Dermestril 100_Dihydroxyestrin_Esclim_Estrace_Elestrim_Menorest 75_Imvexxy_Bedol_Estraderm tts 100_Dermestril 50_Gynoestryl_Menoring 50_Estraderm tts 50_Evorel 75_Gynogen_Evorel 50_Dermestril septem 25_Dihydrotheelin_Estradiol 17-beta_WC3011_Estring_Gvnodiol_Aquagen_Estraderm mx 100_Fematrix 80_Vagifem 8_Estradiol valerate metabolite e2_Vivelle_Oestradiol_Femseven 50_17.beta.-estradiol_Alora_Climara Pro_Fempatch_Destradiol_Elleste solo mx 80_17beta-estradiol_Gynodiol_17-.beta.-oestradiol_Dermestril septem 75_Innofem_Menostar_Gynergon_Evorel 100_Estradiol_17-beta-oestradiol_Divigel_NSC-20293_Vivelle-dot_Progynova ts_Zumenon_Estraderm tts 25_Depo-Estradiol_Evorel 25_Estraderm mx 75_Elestrin_WC-3011_,,,,,,,,
CHEMBL657,D04AA32_R06AA52_R06AA02_,2,3.35,2,2.17,3.65,None,8.87,255.36,2,2,0,0,19,BASE,255.36,255.1623,0,0,12.47,0.78,N,6,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCOC(c1ccccc1)c1ccccc1,Restamin_Silphen_Belix_Diphen_Hydramine_Diphenhdyra_Benylin_Benadryl_Beldin_Antitussive_Dibenil_Diphenhydramine_,,,,,,,,
CHEMBL658,N01AH03_,2,4.21,2,2.13,3.61,None,8.86,386.56,4,4,0,0,27,BASE,386.56,386.2028,0,0,32.78,0.68,N,8,FALSE,TRUE,FALSE,0,FALSE,1,CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1,R 30,730_R-30730_Sufentanil_IDS-NS-001_Sufentanyl_,,,,,,,
CHEMBL659,N06DA04_,1,1.85,1,-0.04,1.16,None,8.58,287.36,4,4,1,1,21,BASE,287.36,287.1521,0,0,41.93,0.8,N,1,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2,Lotprosin xl_Reminyl xl_Luventa xl_Galantamine_Consion xl_Galsya xl_Elmino xl_Gatalin xl_NSC-100058_(-)-galanthamine_Razadyne_Acumor xl_(-)-galantamine_Reminyl_Galanthamine_Galzemic xl_Gazylan xl_Zeebral xl_,,,,,,,,
CHEMBL660,N04BB01_,2,1.91,0,-1.38,1.47,None,10.71,151.25,1,1,1,2,11,BASE,151.25,151.1361,0,0,26.02,0.56,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,NC12CC3CC(CC(C3)C1)C2,Amantadine_Amantidine_Symmetrel_NSC-341865_Symadine_TCMDC-125869_,,,,,,,,
CHEMBL661,N05BA12_,2,3.58,3,3.02,3.02,None,5.01,308.77,4,4,0,0,22,NEUTRAL,308.77,308.0829,0,0,43.07,0.69,N,1,TRUE,FALSE,FALSE,0,FALSE,1,Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,NSC-760140_Alprazolam_Alprazolam civ_Niravam_U-31,889_U-31889_Xanax_Xanax xr_U 31,889_,,,,,,
CHEMBL21731,N06AA21_,2,4.21,2,1.48,4.37,None,10.54,277.41,1,1,1,1,21,BASE,277.41,277.183,0,0,12.03,0.83,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CNCCCC12CCC(c3ccccc31)c1ccccc12,BA-34276 FREE BASE_Maprotiline_BA-34,276 [AS HYDROCHLORIDE]_BA-34,276 FREE BASE_,,,,,,
CHEMBL666,J05AD01_,2,-0.16,0,-7.58,-0.83,-0.1,None,126,2,5,3,3,7,ACID,126,125.9718,0,0,94.83,0.42,N,1,FALSE,TRUE,FALSE,0,FALSE,1,O=C(O)P(=O)(O)O,J05AD01_Dihydroxyphosphinecarboxylic Acid Oxide_Foscarnet_,,,,,,,,
CHEMBL667,S01EB09_,2,0.26,0,-4.22,-4.22,None,None,146.21,2,3,0,0,10,NEUTRAL,146.21,146.1176,0,0,26.3,0.42,Y,3,FALSE,FALSE,TRUE,0,FALSE,0,CC(=O)OCC[N+](C)(C)C,Acetylcholine_,,,,,,,,
CHEMBL137,D06BX01_P01AB51_G01AF01_A01AB17_P01AB01_J01XD01_,2,0.09,1,-0.46,-0.46,None,3.03,171.16,5,6,1,1,12,NEUTRAL,171.16,171.0644,0,0,81.19,0.52,N,3,TRUE,TRUE,TRUE,0,FALSE,1,Cc1ncc([N+](=O)[O-])n1CCO,Nuvessa_Protostat_Neutratop_Metro i.v._Metronidazole_Drazifon_Flagyl_RP 8823_RP-8823_Flagyl-400_Rozex_BAY-5360_Zadstat_Zyomet_Acea_BAYER-5360_Flagyl 375_Zidoval_Orvagil_Flagyl I.V. Rtu In Plastic Container_Metrogel-vaginal_NSC-50364_Metrotop_Metrosa_Anabact_Metrocream_Metromidol_Gineflavir_NSC-69587_Metric 21_Flagyl compak_Noritate_Rosiced_Flagyl-s_Norzol_Satric_Metrolotion_Flagyl er_BAYER 5360_Vandazole_Deflamon_Metrogel_Metrolyl_Elyzol_Vaginyl_,,,,,,,,
CHEMBL668,N06AA11_,2,4.3,2,1.61,4.5,None,10.54,263.38,1,1,1,1,20,BASE,263.38,263.1674,0,0,12.03,0.81,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CNCCCC1c2ccccc2C=Cc2ccccc21,Protriptyline_,,,,,,,,
CHEMBL669,M03BX08_,2,4.55,2,2.28,4.61,None,9.76,275.4,1,1,0,0,21,BASE,275.4,275.1674,0,0,3.24,0.68,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21,Flexeril_MK-130 (AS THE BASE)_Cyclobenzaprine_TNX-102_,,,,,,,,
CHEMBL671,L01AC01_,2,0.16,0,-1.03,-1.03,None,None,189.22,1,3,0,0,11,NEUTRAL,189.22,189.049,0,0,9.03,0.46,Y,3,FALSE,TRUE,FALSE,0,FALSE,1,S=P(N1CC1)(N1CC1)N1CC1,NSC-6396_Thiotepa_Thioplex_Tepadina_,,,,,,,,
CHEMBL672,C10AB05_,2,4.68,2,5.28,5.28,None,None,360.84,4,4,0,0,25,NEUTRAL,360.84,360.1128,0,0,52.6,0.55,N,6,TRUE,FALSE,FALSE,1,FALSE,0,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,Fenofibrate delayed release_Triglide_Lipantil micro 267_Lipofen_Fenogal_Tricor_Fenofibrate_Lipantil micro 200_NSC-281319_Supralip 160_Lipidil_Fenofibrate micronized_Antara (micronized)_Lipantil_Lipantil micro 67_Fenoglide_Antara_Fenofibrate (micronized)_Tricor (micronized)_,,,,,,,,
CHEMBL673,C02KC01_,2,1.75,1,1.41,2.14,None,8.05,159.23,1,1,0,0,12,NEUTRAL,159.23,159.1048,0,0,3.24,0.61,Y,3,TRUE,FALSE,FALSE,0,FALSE,0,C#CCN(C)Cc1ccccc1,Pargyline_Eutron_Eutonyl_,,,,,,,,
CHEMBL25105,R02AA18_R01AX07_S01AX08_D08AC04_S03AA05_,2,3.27,2,-2.06,2.77,None,12.13,354.45,4,6,4,6,26,BASE,354.45,354.2056,1,0,118.2,0.28,N,11,FALSE,FALSE,FALSE,0,FALSE,0,N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1,Hexamidine_,,,,,,,,
CHEMBL675,,2,-1.27,0,-6.56,-4.19,0.69,9.91,271.08,4,8,6,7,14,ZWITTERION,249.1,249.0167,1,1,161.31,0.33,N,5,TRUE,FALSE,FALSE,0,FALSE,0,NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+],Alendronate sodium hydrate_Sodium alendronate_Vantavo_Alendronate sodium trihydrate_Alendronate sodium_Fosamax_Binosto_Sodium alendronate trihydrate_NSC-758931_Alendronate (as sodium)_G-704,650_MK-217_NSC-722597_Alendronic acid monosodium salt trihydrate_Adrovance_G-704650_Fosavance_,,,,,,,
CHEMBL677,,1,0.48,1,-1.6,-0.39,9.63,8.96,183.21,4,4,4,5,13,BASE,183.21,183.0895,0,0,86.71,0.5,N,2,FALSE,TRUE,FALSE,0,FALSE,0,C[C@H](N)[C@H](O)c1ccc(O)c(O)c1,L-nordefrin_BA-2818_Neo-cobefrin_Nordefrin_NSC-757084_L-.alpha.-methylnoradrenaline_BA 2818_L-norephedrine,3,4-dihydroxy-_Nordefrin, l-_Nordefrin (-)-form_Neo-Cobefrin_(-)-cobefrin_Levonordefrin_Corbadrine_,,,,,
CHEMBL679,R03AA01_S01EA51_R01AA14_B02BC09_S01EA01_A01AD01_C01CA24_R03AK01_,1,0.35,1,-1.63,-0.43,9.69,8.91,183.21,4,4,4,4,13,BASE,183.21,183.0895,0,0,72.72,0.51,N,3,FALSE,TRUE,TRUE,0,FALSE,0,CNC[C@H](O)c1ccc(O)c(O)c1,Asthmahaler_Bronkaid mist_Epinephrinum_Sus-phrine sulphite-free_Epinephrine_Twinject 0.15_Sus-Phrine_Glauposine_Jext_Racepinefrine, (r)-_Anapen_Levo-methylaminoethanolcatechol_Nephridine_Adrenaclick_Epipen_Adrenaline_Epinephrine hydrochloride_Medihaler-epi_Riddofan_Ana-guard_Primatene mist_Eppy_Adrenalinum_Sus-phrine sulfite free_Twinject 0.3_Gppe inh soln_Adren co_Epipen e z pen_NSC-62786_Auvi-q_Susphrine_Symjepi_Brovon_Epinephrine (copackaged)_Tonogen_(-)-(r)-epinephrine_Epinephrine hcl_Epipen jr_Asma-vydrin_Simplene_Adrenalin_Riddobron_Sus-Phrine Sulfite-Free_Primatene_Ana-Kit_L-epinephrine hydrochloride_(-)-epinephrine_Epi e z pen jr_Anaphylactic shock drug kit_Soln made to rybarvin for_Rybarvin_Twinject_Epipen jr._Emerade_,,,,,,,
CHEMBL680,,1,0.62,1,-2.66,-2.31,2.83,7.23,367.81,5,7,3,4,24,ACID,367.81,367.0394,0,0,112.73,0.67,N,4,TRUE,FALSE,FALSE,0,FALSE,0,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1,Raniclor_COMPOUND 99638_Cefaclor hydrate_Ceclor_Cefaclor_,,,,,,,,
CHEMBL681,N01AX07_,1,2.67,2,2.5,2.5,None,4.25,244.29,4,4,0,0,18,NEUTRAL,244.29,244.1212,0,0,44.12,0.78,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CCOC(=O)c1cncn1[C@H](C)c1ccccc1,Etomidate_Hypnomidate_NSC-759160_Amidate_,,,,,,,,
CHEMBL682,P01BA06_,2,5.18,3,2.32,3.8,9.1,10.17,355.87,4,4,2,2,25,BASE,355.87,355.1451,1,1,48.39,0.6,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,Amodiaquin_Sunoquine_Amodiaquine_NSC-13453_SJ000110703_GNF-Pf-5648_Amodiaquinum_,,,,,,,,
CHEMBL684,P02CB02_,2,0.7,0,-0.03,0.09,None,6.9,199.3,2,4,0,0,14,NEUTRAL,199.3,199.1685,0,0,26.79,0.65,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(=O)N1CCN(C)CC1,Hetrazan_Camin_Diethylcarbamazine_,,,,,,,,
CHEMBL685,P02CA51_P02CA01_,2,2.97,3,3.23,3.26,8.44,3.93,295.3,4,6,2,2,22,NEUTRAL,295.3,295.0957,0,0,84.08,0.73,N,3,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,NSC-184849_Telmintic_Emverm_Vermox_Mebendazole_Chlorfenson_Orthotran_Mebendazole polymorph c_Ovitelmin_Pantelmin_R-17635_Zhihuanqing_NSC-5618_Vermicidin_Mebenvet_Mebendazolum_Ovochlor_Telmin_K-6451_Ovex_R 17,635_,,,,,,,
CHEMBL23588,M01AG03_,2,4.15,2,2.02,5.25,3.88,None,281.23,2,3,2,2,20,ACID,281.23,281.0664,0,0,49.33,0.89,N,3,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,CI-440_Meralen_INF-1837_Flufenamate_NSC-82699_CI 440_NSC-219007_Arlef_Flufenamic acid_CN-27554_CN-27,554_,,,,,,,
CHEMBL139,M01AB55_S01BC03_D11AX18_M01AB05_M02AA15_,2,4.36,2,1.1,4.26,4,None,296.15,2,3,2,2,19,ACID,296.15,295.0167,0,0,49.33,0.88,N,4,TRUE,TRUE,TRUE,0,FALSE,1,O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl,Voltaren_Voltaren Ophthalmic_Voltaren Xr_Diclofenac_Arthrotec_LAS-41007_Cataflam_Diclofenac free acid_Las41007_Zorvolex capsules_Zorvolex_Cambia_LAS41007_Solaraze_Voltaren-XR_,,,,,,,,
CHEMBL686,M01AG01_,2,3.75,2,2.18,5.4,3.89,None,241.29,2,3,2,2,18,ACID,241.29,241.1103,0,0,49.33,0.86,N,3,TRUE,FALSE,FALSE,0,FALSE,1,Cc1cccc(Nc2ccccc2C(=O)O)c1C,Dysman-500_Mefenamic acid_CI-473_Opustan 500_Meflam 500_CN-35355_Ponstan fte_Mephenaminic acid_Opustan 250_Gardan_Ponstan_INF-3355_Mendys_M01AG01_J2.344B_Dysman-250_Contraflam_Mefenaminic acid_Ponstel_Meflam 250_NSC-94437_Mephenamic acid_,,,,,,,,
CHEMBL688,,2,4.14,2,2.43,3.82,None,8.77,528.6,2,3,0,0,25,BASE,336.48,336.2202,0,0,23.55,0.79,N,6,TRUE,TRUE,TRUE,0,FALSE,1,CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,Sublimaze_R-4263_Abstral_Thalamonal_Fentanyl citrate preservative free_Fentanyl citrate cii_Onsolis_Kw-2246_Actiq_Fentora_Instanyl_Leptanal_MCN-JR-4263-49_Fentanyl_Fentanyl citrate_Lazanda_Fentanyl buccal_Sublimaze preservative free_,,,,,,,,
CHEMBL278398,R06AX04_,0,3.92,2,2.01,3.62,None,9,261.37,1,1,0,0,20,BASE,261.37,261.1517,0,0,3.24,0.75,N,1,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12,Nolahist_NU-1504_Phenindamine_Thephorin_,,,,,,,,
CHEMBL23261,,1,2.92,3,0.94,4.38,3.2,0.83,410.43,7,8,1,1,30,ACID,410.43,410.1478,0,0,100,0.57,N,9,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1,Lu-135252_LU-135252_HMR-4005_Darusentan_,,,,,,,,
CHEMBL690,,1,2.44,0,-1.38,1.65,4.21,None,446.52,6,7,4,4,30,ACID,424.53,424.2461,0,0,124.29,0.4,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+],Eptastatin sodium_SQ-31000_Pravachol_SQ-31,000_Lipostat_Liplat_Lipemol_Pravastatin sodium_CS-514_Dehypotin protect_Elisor_NSC-759253_,,,,,,,
CHEMBL283120,,1,2.41,2,1.62,1.62,None,None,414.41,8,8,1,1,30,NEUTRAL,414.41,414.1315,0,0,92.68,0.76,N,4,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,AXL-1717_Axl-1717_Picropodophyllin_Podophyllotoxin picropodophyllin_Axl1717_Picropodophyllotoxin_NSC-36407_,,,,,,,,
CHEMBL691,L02AA03_G03CA01_,1,3.61,1,3.9,3.9,10.33,None,296.41,2,2,2,2,22,NEUTRAL,296.41,296.1776,0,0,40.46,0.72,N,0,FALSE,FALSE,TRUE,0,FALSE,0,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,Etinestryl_Ovulen-21_NSC-10973_Feminone_Ethinyl estradiol_Ethinylestradiolum_Enovid_Ethinylestradiol_Enovid-E_Follicoral_Estinyl_17alpha-ethinylestradiol_Ginestrene_Lynoral_Norinyl_Ethinyl Estradiol_Ovulen_17-ethinylestradiol_Ethynylestradiol_Ovulen-28_Ethinyloestradiol_,,,,,,,,
CHEMBL284348,N07XX07_,2,0.66,1,-0.97,-0.07,None,8.95,94.12,2,2,1,2,7,BASE,94.12,94.0531,0,0,38.91,0.51,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,Nc1ccncc1,EL-970_Dalfampridine_Ampyra_Neurelan_Fampridine_Fampridine (4-aminopyridine)_Fampyra_NSC-15041_Ampyra Extended Release_,,,,,,,,
CHEMBL695,N03AC02_,2,0.37,0,0.5,0.5,None,None,143.14,3,4,0,0,10,NA,143.14,143.0582,0,0,46.61,0.49,Y,0,TRUE,FALSE,FALSE,1,FALSE,0,CN1C(=O)OC(C)(C)C1=O,NSC-15799_Minoaleviatin_A 2297_Trimethadionum_J2.519D_Tridione_Tridone_Absentol_Trimethadione_Troxidone_Epidione_NSC-169503_,,,,,,,,
CHEMBL696,N03AD51_N03AD01_,0,0.45,0,0.55,0.55,10.73,None,141.17,2,3,1,1,10,NEUTRAL,141.17,141.079,0,0,46.17,0.54,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,CCC1(C)CC(=O)NC1=O,Emeside_Pyknolepsinum_PM-671_Suxinutin_Ethosuximide_CN-10395_CN-10,395_Ethosuximidum_CI-366_NSC-64013_Zarontin_,,,,,,,
CHEMBL697,N03AD03_,0,1.33,1,1.46,1.46,None,None,203.24,2,3,0,0,15,NEUTRAL,203.24,203.0946,0,0,37.38,0.65,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,CN1C(=O)CC(C)(c2ccccc2)C1=O,Mesuximide_NSC-760075_Celontin_Methsuximide_,,,,,,,,
CHEMBL698,C05AD02_D04AB06_S01HA03_N01BA03_,2,2.62,1,1.74,2.79,None,8.42,264.37,4,4,1,1,19,NEUTRAL,264.37,264.1838,0,0,41.57,0.58,N,8,FALSE,FALSE,TRUE,0,FALSE,0,CCCCNc1ccc(C(=O)OCCN(C)C)cc1,Metraspray_Pontocaine_Medihaler-tetracaine_Dicaine_Amethocaine_Ametop_Tetracaine_,,,,,,,,
CHEMBL281764,,1,3.71,3,0.93,3.61,None,10.33,528.7,4,7,2,3,39,BASE,528.7,528.31,1,1,95.74,0.37,N,11,FALSE,FALSE,FALSE,0,FALSE,0,CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N,Tabimorelin_NNC-26-0703_NN-703_Nn703_,,,,,,,,
CHEMBL24441,N07CA01_,2,0.84,1,-1.68,0.63,None,9.77,136.2,2,2,1,1,10,BASE,136.2,136.1,0,0,24.92,0.67,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,CNCCc1ccccn1,Betahistine_,,,,,,,,
CHEMBL279260,,1,3.54,3,0.88,0.88,3.57,9.85,402.88,4,6,4,4,28,ZWITTERION,402.88,402.1346,0,0,94.58,0.44,N,9,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1,Rafabegron_AD-9677_TAK-677_Aj-9677_,,,,,,,,
CHEMBL700,J01EB04_,2,1.46,2,0.24,1.01,6.24,2.14,249.3,4,5,2,3,17,ACID,249.3,249.0572,0,0,85.08,0.81,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,Eubasin_Sulfanilamidopyridine_NSC-4753_Concord 693_Dagenan_Sulfapyridine_Sulphapyridine_Coccoclase_NSC-41791_Piridazol_,,,,,,,,
CHEMBL701,M03BX01_,0,1.86,1,-0.78,-0.78,3.89,9.79,213.66,2,3,2,3,14,ZWITTERION,213.66,213.0557,0,0,63.32,0.8,N,4,TRUE,TRUE,FALSE,0,FALSE,1,NCC(CC(=O)O)c1ccc(Cl)cc1,Lioresal intrath_Baclospas-10_Gablofen_Kemstro_Lioresal_(rs)-baclofen_NSC-755906_Baclofen_BA-34647_Ozobax_BA-34,647_Lyflex_,,,,,,,
CHEMBL24147,S01AX06_D10AX02_,2,1.1,1,1.36,1.37,9.26,None,110.11,2,2,2,2,8,NEUTRAL,110.11,110.0368,0,0,40.46,0.52,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,Oc1cccc(O)c1,Tilloderm_C.I.-76505_Resorcinol_FEMA NO. 3589_D.d.d._NSC-1571_C.i. oxidation base 31_Benzene-1,3-diol_Resorcinum_Resorcin_,,,,,,,
CHEMBL702,J01CA12_,1,-0.24,1,-3.64,-0.26,3.49,None,517.56,7,12,3,3,36,ACID,517.56,517.1631,2,1,156.43,0.34,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O,Piperacillin hydrate_Piperacillin monohydrate_Piperacillin_,,,,,,,,
CHEMBL703,M03AB01_,2,0.27,0,-8.39,-8.39,None,None,290.4,4,6,0,0,20,NEUTRAL,290.4,290.2195,0,0,52.6,0.45,N,9,FALSE,TRUE,FALSE,0,FALSE,1,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,Succinylcholine_Suxamethonium_Suxamethonium cation_Quelicin_Suxamethonium ion_Anectine_Succinylcholine ion_Sucostrin_Succinylcholine cation_,,,,,,,,
CHEMBL704,A07EC02_,2,0.67,1,-1.72,-0.29,2.02,5.87,153.14,3,4,3,4,11,ACID,153.14,153.0426,0,0,83.55,0.41,N,1,TRUE,FALSE,TRUE,0,FALSE,0,Nc1ccc(O)c(C(=O)O)c1,Mesalamine_Salofalk_Pentasa_Pentasa sr_MAX-002_Mesalazine_Mesalazine _Mesren mr_Canasa_Coltec ec_Mezavant xl_NSC-38877_Rowasa_Iialda_Fisalamine_Apriso_Sfrowasa_Asacol hd_Benzoic acid, 5-amino-2-hydroxy-_Ipocol_Lialda_Asacol_Octasa_Delzicol_,,,,,,,
CHEMBL705,D11AH04_L01XF02_,2,5.6,0,2.42,5.01,4.76,None,300.44,1,2,1,1,22,ACID,300.44,300.2089,1,1,37.3,0.53,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1,NSC-659772_9-cis-retinoic acid_Alitretinoin_LG-100057_BAL-4079_LGD-1057_ALRT1057_LG100057_Toctino_ALRT-1057_AGN 192013_9-cis retinoic acid_LGD1057_Panretin_Retinoic acid 9-cis-form_AGN-192013_,,,,,,,,
CHEMBL706,,2,5.46,0,6.14,6.14,None,None,242.45,1,1,1,1,17,NEUTRAL,242.45,242.261,1,1,20.23,0.4,N,14,FALSE,TRUE,FALSE,0,FALSE,0,CCCCCCCCCCCCCCCCO,FEMA NO. 2554_NSC-4194_Cetyl Alcohol_Cetanol_Cetyl alchol_Palmitic alcohol_N-1-hexadecanol_Fatty alcohols(c12-16)_C12-16 alcohols_N-hexadecanol_Alcohol cetylicus_Cetyl alcohol_Hexadecanol_,,,,,,,,
CHEMBL24778,G04CA04_,1,3.07,2,0.83,3.05,None,9.66,495.54,6,7,3,4,35,BASE,495.54,495.2345,0,0,97.05,0.37,N,13,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,Kso-0400_Silodosin_KAD-3213_Urief_Urorec_KMD-3213_Silodal_Silodyx_Rapilif_Rapaflo_,,,,,,,,
CHEMBL707,C02CA04_,0,1.72,3,1.91,2.14,12.67,7.24,451.48,9,10,1,2,33,NEUTRAL,451.48,451.1856,0,0,112.27,0.63,N,4,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,Doxazosin_UK-33274_C02CA04_Cardura_,,,,,,,,
CHEMBL279516,C02CA02_,2,3.6,3,1.58,3.19,None,9,347.46,2,4,2,2,26,BASE,347.46,347.1998,0,0,48.13,0.74,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,Doralese tiltab_Baratol_Indoramin_WY-21901_WY 21901_,,,,,,,,
CHEMBL24828,L01EX04_,2,5,3,2.81,4.54,None,9.13,475.36,6,6,1,1,30,BASE,475.36,474.1067,1,1,59.51,0.54,N,6,TRUE,FALSE,FALSE,0,FALSE,1,COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,ZD-64_ZD6474_Zactima_GNF-PF-2188_NSC-760766_ZD-6474_Vandetanib_NSC-744325_Caprelsa_,,,,,,,,
CHEMBL278819,N06AX07_,2,2.2,2,2.16,2.19,None,6.28,298.39,5,5,1,1,22,NEUTRAL,298.39,298.1794,0,0,50.28,0.92,N,5,FALSE,FALSE,FALSE,0,TRUE,0,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1,CB-30038_Cantor_AGR-1240_Minaprine_Brantur_,,,,,,,,
CHEMBL281872,,2,3.95,4,3.9,3.9,None,4.47,459.28,8,8,1,1,29,NEUTRAL,459.28,458.0502,0,0,86.98,0.45,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1,ZD-4190_,,,,,,,,
CHEMBL708,N05AE04_,2,3.81,3,4.13,4.3,12.21,7.09,412.95,5,5,1,1,28,NEUTRAL,412.95,412.1125,0,0,48.47,0.71,N,4,TRUE,TRUE,FALSE,0,FALSE,1,O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,Zipradon_CP-88059_Geodon_Ziprasidone_,,,,,,,,
CHEMBL709,G04CA01_,0,1.35,2,0.94,1.19,None,7.3,389.46,8,9,2,3,28,NEUTRAL,389.46,389.2063,0,0,111.83,0.65,N,8,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC,Alfuzosin_Uroxatral_NSC-760065_,,,,,,,,
CHEMBL711,B01AA02_,2,2.85,2,0.48,2.88,4.92,None,222.24,2,2,0,0,17,ACID,222.24,222.0681,0,0,34.14,0.7,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,O=C1c2ccccc2C(=O)C1c1ccccc1,NSC-41693_Danilone_Dindevan_Hedulin_Phenindione_Phenylindanedione_,,,,,,,,
CHEMBL712,,2,2.86,2,0.04,2.72,4.55,None,252.27,3,3,0,0,19,ACID,252.27,252.0786,0,0,43.37,0.77,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,Anisindione_NSC-759629_Miradon_,,,,,,,,
CHEMBL24924,B01AA12_,2,2.99,2,0.15,3.02,4.25,None,240.23,2,2,0,0,18,ACID,240.23,240.0587,0,0,34.14,0.72,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,O=C1c2ccccc2C(=O)C1c1ccc(F)cc1,Previscan_Fluindione_Previsccan_,,,,,,,,
CHEMBL282686,,1,2.68,2,-0.15,3.14,3.73,None,408.47,6,7,1,1,28,ACID,408.47,408.1243,0,0,99.13,0.57,N,11,FALSE,FALSE,FALSE,0,FALSE,0,CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O,Galida_AR-H-039242_AR-H039242XX_Tesaglitazar_Az-242_BR-44608_AZ-242_,,,,,,,,
CHEMBL713,J05AF10_,1,-0.83,2,-1.96,-1.96,10.17,0.74,277.28,7,8,4,5,20,NEUTRAL,277.28,277.1175,0,0,130.05,0.53,N,2,TRUE,FALSE,FALSE,1,FALSE,1,C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO,BMS-200475-01_Anhydrous entecavir_Entecavir anhydrous_Baraclude_Entecavir monohydrate_SQ34676_SQ-34676_Entecavir_Entecavir hydrate_,,,,,,,,
CHEMBL141,J05AF05_,1,-0.59,1,-1.1,-1.1,None,None,229.26,7,6,2,3,15,NEUTRAL,229.26,229.0521,0,0,90.37,0.7,N,2,TRUE,FALSE,FALSE,1,FALSE,1,Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1,Lamivudinum_NSC-760061_Lamivudine_BCH 189, (-)-_Virolam_Lamivudine teva_Epivir_Zeffix_GR 109714X_Epivir-hbv_GR-109714X_,,,,,,,
CHEMBL714,R03AC02_R03CC02_,0,1.31,1,-1.32,0.34,10.12,9.4,239.31,4,4,4,4,17,BASE,239.31,239.1521,0,0,72.72,0.64,N,4,TRUE,FALSE,TRUE,0,FALSE,1,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,Maxivent_Etinoline_Airomir_Cobutolin_Proventil Hfa_Kentamol_SCH-13949W_Steri-neb salamol_Asmasal clickhaler_Rimasal_Albuterol_Asmasal spacehaler_Salbutamol_Salbuvent_Ventolin e-breathe_Salamol e-breathe_Ventolin Hfa_Airsalb_Salipraneb_Ventoline_Salbutamolum_Volmax_Ventodisks_Aerolin 400_Duoneb_Accuneb_PROVENTIL-HFA_Aerolin auto_Libetist_Ventolin_Combivent_Combivent udvs_Asmavent_Salapin_Aerolin_NSC-757417_Ventolin cr_Ventmax sr_Salbulin novolizer_Asmaven_Proair Hfa_SCH 13949W_Proventil_Ipramol steri-neb_,,,,,,,,
CHEMBL715,N05AH03_,2,3.44,2,3.16,3.39,13.17,7.24,312.44,5,4,1,1,22,NEUTRAL,312.44,312.1409,0,0,30.87,0.81,N,0,TRUE,TRUE,FALSE,0,FALSE,1,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,LY-170053_Olanzapine apotex_LY170053_Olazax_Olanzapine glenmark_Olazax disperzi_Zyprexa velotab_Zyprexa_Arkolamyl_Olanzapine mylan_Olansek_Olanzapine_Zyprexa zydis_Zalasta_Olanzapine teva_Olanzapine cipla_,,,,,,,,
CHEMBL716,N05AH04_,2,2.86,2,2.64,2.81,None,7.06,383.52,6,5,1,1,27,NEUTRAL,383.52,383.1667,0,0,48.3,0.8,N,5,TRUE,FALSE,FALSE,0,FALSE,1,OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,Zaluron xl_Ebesque xl_Seotiapim xl_Sondate xl_Biquelle xl_NSC-758918_Atrolak xl_Seroquel_Seroquel xl_Quetiapine extended release_Quetiapine_Norsic_Mintreleq xl_Tenprolide xl_Psyquet xl_Brancico xl_,,,,,,,,
CHEMBL285802,N05AX11_,2,4.88,2,2.98,4.51,None,8.92,331.87,3,2,0,0,22,BASE,331.87,331.0798,0,0,12.47,0.79,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,Zoleptil 50_Zotepin_Zotepine_Zoleptil 25_Setous_Zoleptil 100_Nipolept_,,,,,,,,
CHEMBL28333,N05BA03_,2,3.63,2,4.09,4.21,None,6.9,270.76,2,2,0,0,19,NEUTRAL,270.76,270.0924,0,0,15.6,0.77,N,1,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21,Medazepam_Pamnace_Nobrium_,,,,,,,,
CHEMBL717,L02AB02_G03AC06_G03DA02_,1,4.66,0,4.13,4.13,None,None,386.53,4,4,0,0,28,NEUTRAL,386.53,386.2457,0,0,60.44,0.65,N,2,TRUE,TRUE,FALSE,0,FALSE,1,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,Medroxyprogesterone Acetate_Medroxyprogesterone acetate_TV-46046_Lunelle_Depo-provera_Adgyn medro_Depo-progevera_Medroxiprogesterone acetate_Farlutal_Depo-provera oncology_Provera_Curretab_Cycrin_Farlutal 500_Farlutal inyectable_Farlutal 200_Sayana press_Medroxyprogesterone_Farlutal 100_Medroxyprogesterone 17-acetate_Depo-subq provera 104_NSC-21171_Farlutal 250_NSC-26386_Amen_Climanor_Medroxyprogesteroni acetas_Prempro_NSC-27408_G03AC06_,,,,,,,,
CHEMBL28218,N05AD06_,2,4.53,2,3.07,3.83,13.97,8.07,420.32,3,3,1,1,26,NEUTRAL,420.32,419.0896,0,0,40.54,0.7,N,6,FALSE,FALSE,FALSE,0,FALSE,0,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,NSC-759275_Impromen_R-11333_Bromperidol_R 11,333_,,,,,,,
CHEMBL719,D06AX09_R01AX06_,1,2.59,0,-0.07,2.45,4.83,None,500.63,8,9,4,4,35,ACID,500.63,500.2985,1,1,146.05,0.11,N,16,FALSE,FALSE,TRUE,0,FALSE,0,C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O,BRL-4910A_Bactroban_Centany_Trans-pseudomonic acid_Turixin_NSC-759182_BRL 4910A_Bactoderm_Pseudomonic acid_Mupirocin_,,,,,,,,
CHEMBL720,P03AX06_,2,1.18,1,1.21,1.21,None,None,108.14,1,1,1,1,8,NEUTRAL,108.14,108.0575,0,0,20.23,0.57,Y,1,FALSE,FALSE,TRUE,0,FALSE,0,OCc1ccccc1,FEMA NO. 2137_E1519_Phenylcarbinol_NSC-8044_Alcohol,benzyl_INS NO.1519_Ulesfia_E-1519_INS-1519_Alcohol benzylicus_Benzyl Alcohol_Benzyl alcohol_,,,,,,,
CHEMBL27810,C07AB08_,0,2.89,1,-0.72,1.5,13.55,9.66,379.5,5,7,3,3,27,BASE,379.5,379.2471,0,0,90.9,0.57,N,9,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1,Celiprolol pch_Celiprolol_,,,,,,,,
CHEMBL434200,C07AA16_,0,2.85,1,0.58,2.88,None,9.76,295.45,4,3,2,2,20,BASE,295.45,295.1606,0,0,41.49,0.88,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(C)NCC(O)COc1cccc2c1SCCC2,Artex_SE-2395_Tertatolol_Artexal_Tertatolol hydrochloride_S-2395_Prenalex_,,,,,,,,
CHEMBL723,C07AG02_,0,3.74,4,2.07,3.42,None,8.74,406.48,5,6,3,3,30,BASE,406.48,406.1893,0,0,75.74,0.35,N,10,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,Eucardic 12.5_Eucardic 25_Eucardic_DQ-2466_Dilatrend_Dimitone_Talliton_Eucardic 6.25_Coreg CR_NSC-758694_Korvasan_BM-14190_BM-14.190_SKF-105517_Eucardic 3.125_BM 14.190_Kredex_Coreg_C07AG02_BM-14-190_Carvedilol_Coronis_,,,,,,,,
CHEMBL726,N05AB02_,2,4.31,2,3.41,3.97,None,7.81,437.53,5,4,1,1,30,NEUTRAL,437.53,437.1749,0,0,29.95,0.73,N,6,FALSE,FALSE,FALSE,0,FALSE,0,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,Prolixin_NSC-62323_Permitil_Fluphenazine_,,,,,,,,
CHEMBL727,L01BB03_,2,0.6,2,-0.26,-0.26,9.46,1.84,167.2,4,5,3,4,11,NEUTRAL,167.2,167.0266,0,0,83.38,0.5,N,0,TRUE,FALSE,FALSE,1,FALSE,0,Nc1nc2[nH]cnc2c(=S)[nH]1,Thioguanine anhydrous_Lanvis_Tioguanine hemihydrate_Thioguanine, anhydrous_Tabloid_Thioguanine_Thioguanine hemihydrate_NSC-76504_Tioguanine_NSC-752_,,,,,,,
CHEMBL728,N05AB04_,2,4.58,2,3.69,4.38,None,7.99,373.95,4,3,0,0,25,NEUTRAL,373.95,373.1379,0,0,9.72,0.78,N,4,TRUE,TRUE,TRUE,0,FALSE,1,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,Prochlorperazine_Compazine_Prochlorperazine mesylate_Prochlorperazine mesilate_Stemetil eff_Compro_,,,,,,,,
CHEMBL729,,1,4.33,3,4.69,4.69,13.39,None,628.81,5,9,4,4,46,NEUTRAL,628.81,628.3625,1,1,120,0.2,N,15,TRUE,FALSE,FALSE,0,FALSE,0,Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O,Koletra_Lopinavirum_Kaletra_Lopinavir_Lopinavir, (s-(2s,4s,5s))-_ABT-378_A-157378-0_A-157378.0_Lopinavir-_Aluviran_,,,,,
CHEMBL730,C01DA52_C05AE01_C01DA02_,2,-1.02,0,0.26,0.26,None,None,227.09,9,12,0,0,15,NEUTRAL,227.09,227.0026,1,0,157.11,0.37,N,8,FALSE,TRUE,TRUE,0,FALSE,1,O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],Trintek 5_Glyceryl trinitrate solution_Trinitrin tablets_Mitomen_C01DA02_Rectiv_Nitro iv_Coro-nitro_Transderm-nitro_Minitran 5_Sustac_Nitro-dur_Nitrostat_Nitrocontin continus_Nitromin_Nitroglycerin_Suscard buccal_Glonoinum_Diluted nitroglycerin_Nitrolingual pumpspray_Trinitrin_Mechlorethamine oxide hcl_Glyceryl Trinitrate_Rectogesic_Transderm-Nitro_Nitrolingual_Imx-150_Glytrin_Tridil_Nitriderm tts_Lenitral 7.5_Nitro-mack ret_Nitrocine_Nitrol_Transiderm-nitro 10_Trintek 10_Deponit 10_Natirose_Trintek 15_Mustron_Glyceryl trinitrate_Nitromin hydrochloride_Deponit 5_Gonitro_Nitromist_Nitronal_Minitran_Nitro-bid_Minitran 15_Chlormethine oxide hydrochloride_Transiderm-nitro 5_Nitora_Trinitrine_Percutol_Nitroglycerin tablets_Minitran 10_,,,,,,,,
CHEMBL30116,J01MB04_,2,-0.08,2,-1.8,-1.79,5.11,8.57,303.32,7,8,2,2,22,ZWITTERION,303.32,303.1331,0,0,100.35,0.82,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,Pipurin_Pipemidic acid_Pipemid_Nuril_Pi-coli_Pipeacid_Uropimid_Pipemidate_Dolcol_Memento 400_NSC-758160_Uroval_Tractur_Deblaston_Pipemidic acid anhydrous_Filtrax_Pipram_Pipemidic acid hydrate_Pipemidic acid trihydrate_Pipedac_Urosten_,,,,,,,,
CHEMBL734,G04BX03_,2,-0.49,0,-1.05,-1.03,8.94,None,75.07,2,3,2,2,5,NEUTRAL,75.07,75.032,0,0,49.33,0.3,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)NO,Lithostat_Acetohydroxamic acid_NSC-176136_,,,,,,,,
CHEMBL284906,C01DX16_,2,0.02,1,-0.16,-0.16,13.81,3.62,211.18,5,7,1,1,15,NEUTRAL,211.18,211.0593,0,0,94.36,0.42,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C(NCCO[N+](=O)[O-])c1cccnc1,Ikorel_SG-75_Sigmart_Nicorandil_,,,,,,,,
CHEMBL282121,A03AA04_,0,4.6,2,2.08,4.89,None,10.31,429.56,6,6,0,0,31,BASE,429.56,429.2515,0,0,57.23,0.34,N,13,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1,Mebeverine_Arluy_,,,,,,,,
CHEMBL738,,0,1.35,0,2.38,2.78,7.2,None,264.33,3,4,2,2,16,NEUTRAL,242.34,242.1089,0,0,58.2,0.58,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+],Sodium pentothal_Sodium thiopental_Leopental_Hypnostan_Penthiobarbital_Ravonal_Thiopental Sodium_Intraval_Farmotal_Pentothal_Intraval sod_NSC-759557_Thiopentalum natricum_Nesdonal_Thiomebumal_Thiopentone_Thiopentobarbitone sodium_Thiopental sodium_Thiopentone sodium_Penthiobarbital sodium_Thionembutal_Trapanal_Thiomebumal sodium_,,,,,,,,
CHEMBL29411,,2,2.82,1,3.43,3.43,10.59,None,150.22,1,1,1,1,11,NEUTRAL,150.22,150.1045,0,0,20.23,0.65,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(C(C)C)c(O)c1,FEMA NO. 3066_Thymolum_Valda_NSC-11215_P-cymen-3-ol_NSC-47821_3-hydroxy-p-cymene_Listerine_Eftab_Apiguard_Gppe mthwsh tab_NSC-49142_Tellora_Sotol_Thyme camphor_Thymol_Tellodont_,,,,,,,,
CHEMBL30219,,0,1.31,0,2.12,2.29,7.73,None,284.29,3,5,1,1,19,NEUTRAL,262.31,262.1317,0,0,66.48,0.47,N,3,FALSE,TRUE,FALSE,0,FALSE,1,C=CCC1(C(C)C#CCC)C(=O)[N-]C(=O)N(C)C1=O.[Na+],Brietal sod_Brietal_Brevital_Sodium methohexital_Brevital sodium_Methohexitone_Methohexital sodium salt_Enallynymal sodium_Brevimytal_Methohexital sodium_,,,,,,,,
CHEMBL29741,,2,3.34,3,2.72,4.01,None,8.67,309.37,5,5,0,0,23,BASE,309.37,309.1477,0,0,51.39,0.7,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CN(C)CCOc1ccccc1-c1nc(-c2ccccc2)no1,BIIR-561 CL_BIIR 561_Irampanel_BIIR-561_,,,,,,,,
CHEMBL741,N03AX09_,2,2.01,2,1.91,1.93,None,5.89,256.1,5,5,2,4,16,NEUTRAL,256.1,255.0079,0,0,90.71,0.81,N,1,TRUE,FALSE,FALSE,0,FALSE,1,Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,BW-430C_Lamictal_NSC-759171_Lamictal odt_Lamictal xr_Lamotrigine_BW 430C_Lamictal cd_,,,,,,,,
CHEMBL29919,,2,3.27,2,2.91,2.91,None,3.7,289.55,4,4,2,4,17,NEUTRAL,289.55,287.9736,0,0,77.82,0.79,N,1,FALSE,FALSE,FALSE,0,FALSE,0,Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1,JZP-4_Elpetrigine_,,,,,,,,
CHEMBL30008,N07CA03_,2,5.39,3,5.94,6.17,None,7.22,404.5,2,2,0,0,30,NEUTRAL,404.5,404.2064,1,1,6.48,0.54,N,6,FALSE,FALSE,FALSE,0,FALSE,0,Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,Flunarizine_,,,,,,,,
CHEMBL742,N01AX03_,0,2.9,1,3.15,3.35,None,7.16,237.73,2,2,1,1,16,NEUTRAL,237.73,237.092,0,0,29.1,0.86,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,CNC1(c2ccccc2Cl)CCCCC1=O,Dl-ketamine_Ursotamin_Calypsol_Ketalar_NSC-70151_Vetaket_Ketamine_Narketan_PMI-150_Imalgene 1000_Ketasol 100_Clorketam 1000_Anaket v_Tekam_,,,,,,,,
CHEMBL744,N07XX02_,2,2.78,2,3.4,3.4,None,4.57,234.2,4,3,1,2,15,NEUTRAL,234.2,234.0075,0,0,48.14,0.82,N,1,TRUE,FALSE,FALSE,0,FALSE,0,Nc1nc2ccc(OC(F)(F)F)cc2s1,Tiglutik kit_RP 54274_Rilutek_Riluzole_Exservan_Teglutik_NSC-759823_Tiglutik_RP-54274_BHV-0223_NSC-753433_,,,,,,,,
CHEMBL746,R01AC07_R03BC03_S01GX04_,2,2.48,3,-4.52,2.5,2.06,None,371.35,6,8,2,2,27,ACID,371.35,371.1005,0,0,126.81,0.66,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12,FPL 59002_FPL-59002_Nedocromil_,,,,,,,,
CHEMBL748,,2,0.32,1,-3.44,-3.26,7.63,None,172.61,2,3,1,1,10,NEUTRAL,137.16,137.0709,0,0,36.47,0.26,Y,1,TRUE,TRUE,FALSE,0,FALSE,0,C[n+]1ccccc1/C=N/O.[Cl-],Pralidoxime chloride_Pralidoxime chloride (autoinjector)_2-PAM Chloride_Protopam_2-PAM CHLORIDE_Protopam chloride_NSC-164614_Contrathion_2-Pam_Duodote_2-PAM_,,,,,,,,
CHEMBL282575,,1,5.12,2,5.71,5.71,None,None,376.5,3,3,1,1,28,NEUTRAL,376.5,376.2038,1,1,46.53,0.58,N,2,FALSE,FALSE,FALSE,0,FALSE,0,C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,Estradiol 3-benzoate_Difolliculin_NSC-9566_Estradiol monobenzoate_Oestradiol benzoate_Beta-estradiol benzoate_Benzestrofol_Follidrin_Estradiol benzoate_Progynon b oleoso_Benztrone_Benzogynestryl_,,,,,,,,
CHEMBL750,N03AX15_,0,1.85,2,-1.68,-0.03,1.82,2.46,212.23,4,5,2,2,14,ACID,212.23,212.0256,0,0,87.18,0.79,N,2,TRUE,FALSE,FALSE,0,FALSE,0,N=S(=O)(O)Cc1noc2ccccc12,Zonisamide_CI-912_AD-810_N03AX15_PD-110843_Zonegran_Excegran_,,,,,,,,
CHEMBL751,,2,2.89,2,0.4,3.66,3.81,1.59,356.15,3,4,2,3,20,ACID,334.17,333.0001,0,0,80.39,0.67,N,4,FALSE,FALSE,TRUE,0,TRUE,0,Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.[Na+],Xibrom_Prolensa_Bromday_AHR-10282B_Bromfenac monosodium salt_Bromfenac sodium sesquihydrate_Bromfenac monosodium salt sesquihydrate_Bromfenac sodium anhydrous_Bromfenac sodium hydrate_Bromsite_Bromfenac sodium_,,,,,,,,
CHEMBL266481,H04AA01_,1,None,None,None,None,None,None,3482.8,None,None,None,None,None,NA,3482.8,3480.6157,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O,Glucagon_Baqsimi_Gvoke pfs_Gvoke hypopen_Glucagon Emergency Kit_Glucagen Hypokit_Glucagon recombinant_,,,,,,,,
CHEMBL753,C04AX02_,0,4.19,2,4.03,4.64,None,7.89,303.83,2,2,0,0,21,NEUTRAL,303.83,303.139,0,0,12.47,0.68,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CC(COc1ccccc1)N(CCCl)Cc1ccccc1,Phenoxybenzamine_Bensylyt_Benzylyt_Dibenylin_,,,,,,,,
CHEMBL754,,2,-0.16,0,-7.58,-0.83,-0.1,None,191.95,2,5,3,3,7,ACID,126,125.9718,0,0,94.83,0.42,N,1,FALSE,TRUE,FALSE,0,FALSE,1,O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+],NSC-313410_Foscarnet sodium_EHB-776_Foscarnet sodium hexahydrate_Foscarnet trisodium hexahydrate_Foscarnet sodium anhydrous_A-29622_Foscarnet sodium hydrate_NSC-758148_Foscavir_EHB 776_,,,,,,,,
CHEMBL760,L01XX35_,2,1.93,1,1.94,1.94,11.25,3.62,256.09,3,4,1,1,16,NEUTRAL,256.09,254.9966,0,0,44.7,0.77,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,Anagrelide_Xagrid_Agrylin_,,,,,,,,
CHEMBL761,R01AA08_S01GA51_S01GA01_R01AB02_,2,2.38,2,-0.07,2.19,None,10.19,210.28,2,2,1,1,16,BASE,210.28,210.1157,0,0,24.39,0.81,Y,2,FALSE,FALSE,TRUE,0,FALSE,0,c1ccc2c(CC3=NCCN3)cccc2c1,Nafazolin_Naphazoline_Nafazair_,,,,,,,,
CHEMBL762,R01AA05_S01GA04_R01AB07_,2,2.85,1,1.2,3.03,10.91,10.15,260.38,3,3,2,2,19,BASE,260.38,260.1889,0,0,44.62,0.86,Y,2,FALSE,FALSE,TRUE,0,FALSE,0,Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,Operil_Oxymetazoline_Ocuclear_Nasacon_,,,,,,,,
CHEMBL765,S01EX01_C02CC02_,2,0.53,0,-3.24,0.74,None,11.77,198.31,2,4,2,4,14,BASE,198.31,198.1844,0,0,67.64,0.51,N,3,TRUE,FALSE,FALSE,0,FALSE,0,NC(N)=NCCN1CCCCCCC1,Guanethidine_Ismelin_Esimil_,,,,,,,,
CHEMBL766,,1,1.43,0,-4.19,-1.27,2.53,9.14,358.46,5,7,4,5,24,ZWITTERION,358.46,358.1562,0,0,129.72,0.32,N,11,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)O,Cilastatin_Primaxin_,,,,,,,,
CHEMBL768,C07AB09_,0,1.53,1,-0.4,1.82,None,9.67,295.38,5,5,2,2,21,BASE,295.38,295.1784,0,0,67.79,0.68,N,9,FALSE,TRUE,FALSE,0,TRUE,0,COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1,Esmolol_ASL-8052-001_,,,,,,,,
CHEMBL770,M02AX02_C04AB02_,2,1.23,1,-1.08,1.2,None,10.25,160.22,2,2,1,1,12,BASE,160.22,160.1,0,0,24.39,0.69,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,c1ccc(CC2=NCCN2)cc1,NSC-35110_Tolazoline_Priscoline_Tolazine_,,,,,,,,
CHEMBL771,J04AB01_,1,-1.62,0,-2.42,-2.42,4.21,8.36,102.09,3,4,2,3,7,ACID,102.09,102.0429,0,0,64.35,0.39,N,0,TRUE,FALSE,FALSE,0,FALSE,0,N[C@@H]1CONC1=O,NSC-154851_NSC-76029_Cycloserine_D-cycloserine_Orientomycin_Cycloserinum_Seromycin_,,,,,,,,
CHEMBL148,,1,-0.18,0,-3.8,-3.8,3.44,11.8,299.35,5,7,4,4,20,ZWITTERION,299.35,299.094,0,0,113.72,0.22,N,7,FALSE,TRUE,FALSE,0,FALSE,0,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12,MK-0787_Imipenem_,,,,,,,,
CHEMBL772,C02AA52_C02AA02_,1,4.17,3,3.38,3.53,None,7.02,608.69,10,11,1,1,44,NEUTRAL,608.69,608.2734,2,1,117.78,0.37,N,8,TRUE,TRUE,FALSE,0,TRUE,0,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,NSC-59272_Serpanray_Serpivite_NSC-237659_Serpate_Apoplon_Rau-sed_Reserpinum_Serpalan_Sandril_Reserpine_ENT-50146_Hiserpia_Serpasil_,,,,,,,,
CHEMBL776,R03AB03_R03CB03_,0,1.13,1,-0.94,0.21,8.84,9.7,211.26,4,4,4,4,15,BASE,211.26,211.1208,0,0,72.72,0.6,N,4,TRUE,FALSE,TRUE,0,FALSE,0,CC(C)NCC(O)c1cc(O)cc(O)c1,Metaproterenol_Orciprenaline_,,,,,,,,
CHEMBL777,,1,-1.1,0,-4.94,-1.52,3.32,None,199.16,4,6,2,2,14,ACID,199.16,199.0481,0,0,87.07,0.55,N,2,TRUE,TRUE,FALSE,0,FALSE,0,O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21,Clavulanic acid_Clavulanate_Serdaxin_BRL-14151_BRL 14151_Clavulanic Acid_RX-10100_,,,,,,,,
CHEMBL778,N05CM18_,1,3.18,2,3.34,3.39,None,6.54,200.28,1,2,1,1,15,NEUTRAL,200.28,200.1313,0,0,28.68,0.79,N,2,FALSE,TRUE,FALSE,0,FALSE,0,Cc1cccc([C@H](C)c2c[nH]cn2)c1C,Dexmedetomidine_MPV-1440_Precedex_Medetomidine, (s)-_,,,,,,,
CHEMBL779,G04BE08_,1,2.21,3,1.64,1.64,None,None,389.41,4,7,1,1,29,NEUTRAL,389.41,389.1376,0,0,74.87,0.69,N,1,TRUE,FALSE,FALSE,0,FALSE,0,CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O,IC-351_NSC-759172_LY450190_NSC-750236_Trans-tadalafil_Adcirca_Tadalafil mylan_Tadalafil_IC351_Cialis_LY-450190_,,,,,,,,
CHEMBL33986,N02AF01_,1,3.37,1,0.81,2.89,9.86,10.7,327.47,3,3,2,2,24,BASE,327.47,327.2198,0,0,43.7,0.88,N,2,FALSE,TRUE,TRUE,0,FALSE,1,Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,Butorphanol_LEVO-BC-2627_,,,,,,,,
CHEMBL780,,2,-2.68,0,-17.92,-6.27,0.54,10.62,393.35,8,13,5,5,27,ZWITTERION,393.35,393.1383,1,0,196.22,0.18,N,16,FALSE,TRUE,TRUE,0,FALSE,1,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,DTP-A_Pentetate_NSC-7340_DTPA_Pentetic acid_,,,,,,,,
CHEMBL781,A08AA05_,0,2.61,2,3.44,3.44,11.61,3.86,284.75,3,3,1,1,20,NEUTRAL,284.75,284.0716,0,0,35.83,0.87,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,Mazindol_Mazanor_Mazindol civ_Sanorex_Teronac_42-548_Mazildene_SAH-42548_Terenac_AN-448_Magrilon_,,,,,,,,
CHEMBL782,V04CA01_A10BB03_,2,1.78,1,1.36,2.3,4.33,None,270.35,3,5,2,2,18,ACID,270.35,270.1038,0,0,75.27,0.8,N,5,TRUE,TRUE,FALSE,0,FALSE,0,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,Pramidex_Ipoglicone_Glyconon_Butamide_NSC-87833_Rastinon_Willbutamide_Tolbutamidum_Orinase_Diabetamid_NSC-23813_Arkozal_1-butyl-3-(p-tolylsulfonyl)urea_Tolbutamide_,,,,,,,,
CHEMBL783,A10BX03_,1,3.26,1,0.87,4.03,4,None,317.43,2,4,2,2,23,ACID,317.43,317.1991,0,0,66.4,0.85,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1,A-4166_Starlix_DJN 608_AY-4166_SDZ DJN 608_Starsis_SDZ-DJN-608_DJN-608_Nateglinide_Senaglinide_AY4166_D-nateglinide_NSC-758695_,,,,,,,,
CHEMBL33864,A16AX01_,0,2.79,0,-0.68,2.11,4.52,None,206.33,3,2,1,1,12,ACID,206.33,206.0435,0,0,37.3,0.55,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)CCCCC1CCSS1,Thiocacid_NSC-628502_NSC-90788_A-lipoicum acidum_Thioctate_Thioctic acid_Acidum thiocticum_Thioctacid_Alpha lipoic acid_Lipoic acid, dl-_Biletan_Dl-6,8-thioctic acid_Lipoic acid, alpha_Thioctic acid dl-form_Alpha-lipoic acid_.alpha.-lipoic acid_6,8-thioctic acid_Tioctic acid_Thioctan_,,,,
CHEMBL786,,2,6,3,4.97,6.35,None,8.76,563.65,2,2,0,0,28,BASE,371.52,371.2249,1,1,12.47,0.45,N,8,TRUE,FALSE,FALSE,1,FALSE,1,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,Tamofene_Nolvadex fte_Nourytam_ICI-46474_Nolvadex d_Noltam_Zynoplex_Zitazonium_Tamoxifen citrate_Kessar 10_Kessar_Zemide_Kessar 20_Fentamox 20_Tamofen_I.C.I.46474 CITRATE_Kentadex_Tomaxasta_ICI 46,474_NSC-757345_Oestrifen-10_Tamoxifeni citras_Nolvadex_Soltamox_Oestrifen-20_Oestrifen-40_NSC-180973_Fentamox 10_Emblon_,,,,,,,
CHEMBL787,R03DC53_R03DC03_,1,8.95,4,5.8,8.49,4.4,3.12,586.2,4,4,2,2,41,ACID,586.2,585.2104,2,2,70.42,0.17,N,12,TRUE,FALSE,FALSE,0,FALSE,1,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,Montelukast_Singulair_MK-476_Brondilat_,,,,,,,,
CHEMBL788,D06BB01_J05AB02_S01AD01_,1,-1.22,1,-0.57,-0.53,8.46,None,354.1,6,7,3,3,17,NEUTRAL,354.1,353.9713,0,0,104.55,0.58,N,2,FALSE,FALSE,TRUE,0,FALSE,0,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I,Idox_Idoxuridine_Ophthalmadine_ALLERGAN 211_Allergan 211_Herplex_5IUDR_Idoxuridinum_Joddeoxiuridin_5-IUDR_ALLERGAN-211_Dendrid_NSC-39661_IDU_SK&F-14287_SK&F 14287_Stoxil_Kerecid_Allergan-211_,,,,,,,,
CHEMBL36506,,1,3.63,3,1.36,3.26,5.51,None,612.63,11,13,5,6,44,ACID,612.63,612.2319,3,2,200.01,0.18,N,8,TRUE,FALSE,FALSE,0,TRUE,0,CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,Cathomycin_Novobiocin_Albamycin t_Albamycin_,,,,,,,,
CHEMBL152,J05AB12_,1,-1.66,1,-4.7,-2.28,1.35,None,279.19,7,9,4,5,18,ACID,279.19,279.062,0,0,147.9,0.45,N,6,FALSE,TRUE,FALSE,1,FALSE,1,Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1,Anhydrous cidofovir_NSC-742135_Hpmpc_Hpmpc dihydrate_Vistide_Cidofovir dihydrate_GS-0504_Cidofovir_Cidofovir anhydrous_,,,,,,,,
CHEMBL790,D08AC02_D09AA12_S01AX09_B05CA02_D08AC52_A01AB03_R02AA05_S02AA09_S03AA04_,2,4.18,2,-1.3,4.51,None,10.45,505.46,4,10,10,10,34,BASE,505.46,504.2032,2,2,167.58,0.14,N,9,FALSE,FALSE,TRUE,0,TRUE,0,N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,Exidine_Avagard_Merfen-incolore_Hibistat_Chlorhexadine_Chlorhexidine_Dentisept_,,,,,,,,
CHEMBL32800,G02CA03_R03CC04_R03AC04_,0,2.06,2,0.33,1.47,8.85,9.63,303.36,5,5,5,5,22,BASE,303.36,303.1471,0,0,92.95,0.56,N,6,FALSE,FALSE,FALSE,0,TRUE,0,CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1,TH-1165A FREE BASE_Fenoterol hbr_Berodual_Duovent_TH-1165_Berotec 100_Berodual n_Airum_Dosberotec_Berotec [as hydrobromide]_Fenoterol_Berotec 200_Fenoterol hydrobromide_Partusisten_TH 1165A [AS HYDROBROMIDE SALT]_TH-1165A_TH 1165A FREE BASE_Berotec_TH 1165A_NSC-757811_,,,,,,,,
CHEMBL284121,,1,4.85,0,3.69,3.69,None,None,410.6,3,3,3,3,30,NEUTRAL,410.6,410.2821,0,0,60.69,0.46,N,3,FALSE,FALSE,FALSE,0,FALSE,0,C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CC#CC(C)(C)O)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O,BXL-353_ILEX-23-7553_Ro-23-7553_BXL 353_ILX-23-7553_Ilx23-7553_Ilx 237553_ILX7553_ILX-237553_,,,,,,,,
CHEMBL796,N06BA04_,0,2.09,1,0.57,2.25,None,9.09,233.31,3,3,1,1,17,BASE,233.31,233.1416,0,0,38.33,0.81,Y,3,TRUE,FALSE,TRUE,0,FALSE,1,COC(=O)C(c1ccccc1)C1CCCCN1,Cotempla xr-odt_Methylin_Methylphenidate_Concerta_Methylphenidate extended release_Threo-dl-methylphenidate_Prc-063_Daytrana_,,,,,,,,
CHEMBL285674,N05CD04_,2,3.27,3,2.9,2.9,None,4.9,294.75,4,4,0,0,21,NEUTRAL,294.75,294.0672,0,0,43.07,0.69,N,1,TRUE,FALSE,FALSE,0,FALSE,1,Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2,NSC-290818_ABBOTT-47631_Prosom_Estazolam_Eurodin_Estazolam civ_,,,,,,,,
CHEMBL797,N03AD02_,0,1.16,1,0.91,0.91,None,None,189.21,2,3,0,0,14,NEUTRAL,189.21,189.079,0,0,37.38,0.62,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,CN1C(=O)CC(c2ccccc2)C1=O,PM-334_Mirontin_Lifene_Milontin_Succitimal_1-methyl-3-phenylsuccinimide_Milonton_Racemic phensuximide_NSC-760079_Phensuximide_Phensuximid_Epimid_,,,,,,,,
CHEMBL34259,L04AX03_L01BA01_,1,0.27,3,-6.56,-0.24,3.25,2.8,454.45,10,13,5,7,33,ACID,454.45,454.1713,2,0,210.54,0.29,N,9,TRUE,TRUE,FALSE,0,FALSE,1,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,(r)-methotrexate_Methotrexate, d-_Rasuvo_Rheumatrex_Amethopterin_NSC-740_TCMDC-123832_Methylaminopterin_TCMDC-125488_R-methotrexate_CL 14377_D-amethopterin_Methotrexate_Reditrex_CL-14377_Otrexup_Mexate-AQ_Mexate_Otrexup pfs_Maxtrex_TCMDC-125858_Folex_Emtexate high-pot_Metoject_ADX-2191_Methotrexate, (r)-_R-9985_D-methotrexate_Methotrexatum_Trexall_Zlatal_Abitrexate_EMT-25299_Emtexate pf_Ebetrex_,,,,,,
CHEMBL799,B01AC23_,2,3.46,2,3.31,3.31,None,None,369.47,6,7,1,1,27,NEUTRAL,369.47,369.2165,0,0,81.93,0.76,N,7,TRUE,FALSE,FALSE,0,FALSE,1,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,Cilostazol_OPC-21_NSC-758936_Pletal_OPC-13013_,,,,,,,,
CHEMBL802,C02DC01_D11AX01_,2,-0.13,1,0,0,None,1.69,209.25,5,6,2,4,15,NEUTRAL,209.25,209.1277,0,0,95.11,0.5,N,1,TRUE,FALSE,TRUE,1,FALSE,1,Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],Minodyl_Minoxidil_Minoximen_Tricoxidil_Men's rogaine_Alostil_Loniten_Normoxidil_NSC-757106_Lonolox_Mintop_Rogaine extra strength (for men)_Rogaine (for men)_Minoxidil (for women)_Rogaine_Pierminox_Regaine for women_Minoxidil extra strength (for men)_Minoxidil (for men)_U-10858_Women's rogaine_Prexidil_Alopexil_Rogaine (for women)_U-10,858_Theroxidil_Regaine for men_,,,,,,,
CHEMBL154,G02CC02_M01AE02_M02AA12_,1,3.04,2,-0.05,2.99,4.19,None,230.26,2,3,1,1,17,ACID,230.26,230.0943,0,0,46.53,0.88,N,3,TRUE,FALSE,FALSE,0,FALSE,1,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,Naproxen_Anaprox_Vimovo_Laraflex_Naprosyn 375_Condrotec_Timpron 500 ec_Rimoxyn_Aleve_Pranoxen continus_Arthrosin 250_Prosaid_Rheuflex 500_Grenoxal_Napratec op_Feminax ultra_Equiproxen_Timpron_Arthrosin 500 ec_Valrox_Nycopren_PN400 COMPONENT NAPROXEN_Arthrosin 500_Naprosyn ec_NSC-750183_Kenosyn_Naprelan_Stirlescent_Ec-naprosyn_Arthrosin 250 ec_Timpron 250 ec_NSC-757239_RS-3540_Naprosyn_Rheuflex 250_,,,,,,,,
CHEMBL416956,P01BC02_,0,4.45,2,2.07,4.11,13.79,9.46,378.32,3,3,2,2,26,BASE,378.32,378.1167,0,0,45.15,0.76,N,2,TRUE,FALSE,FALSE,0,FALSE,1,OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,NSC-758233_RO 21-5998_Mefaquin_GNF-Pf-5544_Mefloquine_WR 142,490_Lariam_RO-215998_,,,,,,,
CHEMBL803,L01BC01_,1,-2.56,1,-2.8,-2.8,12.55,None,243.22,8,8,4,5,17,NEUTRAL,243.22,243.0855,0,0,130.83,0.45,N,2,FALSE,TRUE,FALSE,0,FALSE,1,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,U-19920_Arabinocytosine_Depocyte_Aracytidine_Alexan 100_Cytarabine_U-19,920_Arabinosyl cytosine_Cytarabinum_Cytarabine liposome_U 19920a_Ara-c_Aracytine_Ara-cytidine_Cytosar_Aracytin_Spongocytidine_NSC-287459_Cytarabinoside_Cytosar-u_Depocyt_Alexan_Tarabine Pfs_,,,,,,,
CHEMBL806,L02BB01_,2,3.21,1,3.27,3.27,12.81,None,276.21,3,5,1,1,19,NEUTRAL,276.21,276.0722,0,0,72.24,0.68,N,3,TRUE,FALSE,FALSE,1,FALSE,1,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,NSC-215876_Drogenil_Chimax_Flutamide_SCH 13521_SCH-13521_Eulexin_,,,,,,,,
CHEMBL290352,,1,6.16,5,5.73,5.73,10.71,None,615.78,9,8,2,2,43,NEUTRAL,615.78,615.1862,2,2,94.72,0.21,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,KT7515_Cep-1347_CEP-1347_KT-7515_KT-1575_,,,,,,,,
CHEMBL807,N06DX01_,0,2.69,0,-0.78,2.07,None,10.7,179.31,1,1,1,2,13,BASE,179.31,179.1674,0,0,26.02,0.61,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,CC12CC3CC(C)(C1)CC(N)(C3)C2,DRG-0267_D-145_NSC-757843_Namenda_Memantine_,,,,,,,,
CHEMBL37676,,2,3.42,1,4.23,4.23,10.8,None,220.31,2,2,1,1,16,NEUTRAL,220.31,220.1463,0,0,29.46,0.73,N,0,FALSE,FALSE,FALSE,0,FALSE,0,Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2,Apc-100_Chromane c1_APC-100_NSC-226236_,,,,,,,,
CHEMBL808,D01AC03_G01AF05_,0,5.8,3,5.32,5.35,None,6.48,381.69,3,3,0,0,24,NEUTRAL,381.69,380.025,1,1,27.05,0.54,N,6,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,NSC-187789_Econazole_Spectazole_,,,,,,,,
CHEMBL809,N06AB06_,1,5.18,2,3.02,5.15,None,9.56,306.24,1,1,1,1,20,BASE,306.24,305.0738,1,1,12.03,0.81,N,2,TRUE,FALSE,FALSE,0,FALSE,1,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,Sertraline_,,,,,,,,
CHEMBL36715,N06BX03_,2,-0.91,0,-1.68,-1.68,None,None,142.16,2,4,1,2,10,NEUTRAL,142.16,142.0742,0,0,63.4,0.54,N,2,FALSE,FALSE,FALSE,0,FALSE,0,NC(=O)CN1CCCC1=O,NSC-758191_Nootrop 800_Myocalm_Nootropil_Nootrop_Nootrop 1200_Nootrop 400_Gabacet_CL-871_Piracetam_,,,,,,,,
CHEMBL810,L01AX03_,2,-2.08,2,-0.28,-0.28,10.46,None,194.15,7,8,1,2,14,NEUTRAL,194.15,194.0552,0,0,108.17,0.56,N,1,TRUE,TRUE,FALSE,1,FALSE,1,Cn1nnc2c(C(N)=O)ncn2c1=O,CCRG-81045_M&B-39831_Methazolastone_SCH-52365_SCH 52365_Temozolomide_Mk-7365_Temomedac_M-39831_M&B 39831_NSC-362856_Temodal_Temodar_,,,,,,,,
CHEMBL37390,R03DA03_,0,-1.19,2,-0.82,-0.82,None,None,238.25,7,7,1,1,17,NEUTRAL,238.25,238.1066,0,0,82.05,0.71,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,Thean_Proxyphylline_,,,,,,,,
CHEMBL811,R06AB51_R06AB01_,0,3.93,2,1.68,3.75,None,9.48,319.25,2,2,0,0,19,BASE,319.25,318.0732,0,0,16.13,0.83,N,5,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1,Brompheniramine_Bromfed_Brotane_Dimetapp_Bromfenex_Lodrane_Dimetane_BPN_,,,,,,,,
CHEMBL812,,2,0.57,1,-3.47,-3.47,None,None,261.12,2,4,0,0,13,NEUTRAL,181.22,181.0972,0,0,33.42,0.59,Y,1,TRUE,TRUE,FALSE,0,FALSE,1,CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],Mestinon ret_Regonal_Mestinon_Pyridostigmini bromidum_NSC-679759_RO-1-5130_Pyridostigmine Bromide_NSC-758435_Regonol_Kalymin_Kalimin_Mestinon 10_Pyridostigmine bromide_,,,,,,,,
CHEMBL813,C09CA02_,2,4.74,3,0.06,3.75,3.47,6.67,424.52,5,6,2,2,30,ACID,424.52,424.1457,0,0,92.42,0.46,N,10,TRUE,FALSE,FALSE,0,FALSE,1,CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1,SK&F 108566_Teveten_Eprosartan_SK-108566_SK&F-108566_,,,,,,,,
CHEMBL289469,A04AA02_,1,2.32,2,0.27,1.88,None,9,312.42,4,5,1,1,23,BASE,312.42,312.195,0,0,50.16,0.93,N,2,TRUE,TRUE,TRUE,0,FALSE,0,CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2,LY-278584_Sustol_Granisetron_BRL-43694_APF-530_Kytril_Sancuso_BRL 43694_APF530_,,,,,,,,
CHEMBL814,N06AB08_,2,3.2,1,1.33,2.8,None,8.86,318.34,4,4,1,2,22,BASE,318.34,318.1555,0,0,56.84,0.43,N,9,TRUE,FALSE,FALSE,0,FALSE,1,COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,Fluvoxamine_N06AB08_,,,,,,,,
CHEMBL441738,D02BB02_,1,None,None,None,None,None,None,1646.87,None,None,None,None,None,NA,1646.87,1645.8365,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C,Scenesse_Afamelanotide_Melanotan i_CUV1647_CUV-1647_Melanotan-1_,,,,,,,,
CHEMBL815,G02AD01_,1,3.04,0,-0.31,2.61,4.36,None,354.49,4,5,4,4,25,ACID,354.49,354.2406,0,0,97.99,0.32,N,12,FALSE,TRUE,FALSE,0,FALSE,0,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O,Pgf2alpha_Prosmon_U-14,583_Prostaglandin f2-alpha_Prostaglandin f2alpha_Prostaglandin f2.alpha._Pgf2a_Dinoprost_U-14583_,,,,,,,
CHEMBL38827,,2,9.15,3,6.84,9.19,None,9.78,528.95,2,2,1,1,35,BASE,528.95,527.1549,2,2,23.47,0.22,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1,Benflumelol_Dl-benflumelol_Lumefantrine_CPG-56695_Benflumetol_Lumefantrinum_GNF-PF-1971_,,,,,,,,
CHEMBL817,A10BB05_,2,1.77,1,0.97,1.91,4.07,1.61,311.41,4,6,2,2,21,ACID,311.41,311.1304,0,0,78.51,0.89,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,U-17835_NSC-70762_Tolazamide_Tolinase_,,,,,,,,
CHEMBL819,J01CF04_,1,1.9,2,-1.59,1.7,3.75,None,401.44,6,8,2,2,28,ACID,401.44,401.1045,0,0,112.74,0.75,N,4,TRUE,TRUE,FALSE,0,FALSE,0,Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,Oxacillin_Prostaphlin_Oxazocilline_,,,,,,,,
CHEMBL290960,P01CC01_,0,0.64,1,-0.27,-0.27,None,0.34,287.3,7,8,0,0,19,NEUTRAL,287.3,287.0576,0,0,106.02,0.46,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1,DNDI1613515_BAY A2502_Nifurtimoxum_BAYER 2502_Lampit_Nifurtimox_BAY-2502_BAY 2502_BAY-A2502_BAYER-2502_,,,,,,,,
CHEMBL820,L01AB01_,2,-0.28,0,-0.76,-0.76,None,None,246.31,6,6,0,0,14,NA,246.31,246.0232,0,0,86.74,0.45,N,7,TRUE,TRUE,FALSE,0,FALSE,1,CS(=O)(=O)OCCCCOS(C)(=O)=O,Myleran_Busulfanum_Myelosan_NCI-C01592_Myelosanum_NSC-750_Busulfan_Busulfex_Sulphabutin_Busilvex_Leucosulfan_,,,,,,,,
CHEMBL821,,2,-1.16,0,-3.65,-1.24,None,12.55,59.07,1,3,3,5,4,BASE,59.07,59.0483,0,0,75.89,0.24,N,0,TRUE,FALSE,FALSE,0,FALSE,0,N=C(N)N,Guanidine_,,,,,,,,
CHEMBL822,D01AE15_D01BA02_,2,4.88,2,4.06,5.53,None,8.86,291.44,1,1,0,0,22,BASE,291.44,291.1987,0,0,3.24,0.73,N,4,TRUE,FALSE,TRUE,0,FALSE,0,CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12,Lamisil_Terbinafine hydrochloride_Lamisil at_SF-86-327_Terbinafine_TDT-067_SF 86-327_,,,,,,,,
CHEMBL826,J01MA04_,2,0.66,2,-1.02,-1.01,5.31,8.59,320.32,6,7,2,2,23,ZWITTERION,320.32,320.1285,0,0,87.46,0.86,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,Comprecin_NSC-758416_PD-107779_Penetrex_PD 107779_CI-919_NSC-629661_Enoxacin_AT-2266_Flumark_,,,,,,,,
CHEMBL827,N06BA11_,1,2.09,1,0.57,2.25,None,9.09,233.31,3,3,1,1,17,BASE,233.31,233.1416,0,0,38.33,0.81,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1,Dexmethylphenidate_Methylphenidate d-threo-form_,,,,,,,,
CHEMBL264374,C10AB02_,2,3.55,2,0.74,3.99,3.83,None,361.83,3,5,2,2,25,ACID,361.83,361.1081,0,0,75.63,0.79,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,BM-15.075_Zimbacol xl_Bezagen xl_NSC-758174_Bezalip_Bezafibrate_Bezalip-mono_BM-15075_Bezatol sr_Fibrazate xl_BM 15.075_Liparol xl_,,,,,,,,
CHEMBL829,R06AD01_,0,4.49,2,2.4,4.41,None,9.42,298.45,3,2,0,0,21,BASE,298.45,298.1504,0,0,6.48,0.82,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC(CN(C)C)CN1c2ccccc2Sc2ccccc21,Alimemazine_BAYER-1219_Dl-trimeprazine_Trimeprazine_Temaril_RP-6549_Methylpromazine_,,,,,,,,
CHEMBL43128,,0,2.78,2,-0.96,1.64,None,10.2,455.34,4,4,2,3,19,BASE,259.35,259.1685,0,0,60.17,0.84,N,6,TRUE,FALSE,FALSE,0,FALSE,1,COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O,Primaquine_WR 2975_Primaquine Phosphate_Malquine_Primachine phosphate_Primaquine diphosphate_Primaquine phosphate_NSC-149765_Primaquini diphosphas_,,,,,,,,
CHEMBL830,D11AX16_P01CX03_,0,-0.23,0,-3.13,-2.91,2.19,10.2,182.17,3,4,3,5,12,ZWITTERION,182.17,182.0867,0,0,89.34,0.55,N,5,FALSE,TRUE,TRUE,0,FALSE,0,NCCCC(N)(C(=O)O)C(F)F,Vaniqa_Ornidyl_Eflornithine_,,,,,,,,
CHEMBL41194,,2,4.64,4,3.81,4.76,5.85,4.97,426.52,6,7,1,1,32,ACID,426.52,426.2168,0,0,89.35,0.45,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CCCC2,Kt-3671_Pratosartan_DA-727_DA727_KT3-671_,,,,,,,,
CHEMBL831,N05AH01_,2,3.77,2,3.26,3.46,None,7.18,327.81,4,4,0,0,23,NEUTRAL,327.81,327.1138,0,0,28.07,0.74,N,0,TRUE,TRUE,TRUE,0,FALSE,1,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,Adasuve_CL-62362_Loxapine_Loxapac_SUM 3170_CL 62,362_Loxitane-c oral suspension [as hydrochloride]_Loxitane intramuscular [as hydrochloride]_Loxitane_SUM-3170_,,,,,,,
CHEMBL41306,,2,5.27,2,4.56,5.16,None,7.88,351.93,3,3,2,2,22,NEUTRAL,351.93,351.0631,1,1,39.12,0.45,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1,Cns 5161_Cns-5161_,,,,,,,,
CHEMBL832,M04AB02_,0,3.8,3,1.1,3.19,3.86,None,404.49,3,5,0,0,29,ACID,404.49,404.1195,0,0,57.69,0.59,N,6,TRUE,FALSE,FALSE,0,FALSE,0,O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,Anturane_Sulphinpyrazone_NSC-75925_Sulfinpyrazone_Anturan_,,,,,,,,
CHEMBL833,B01AC05_,2,3.96,2,4.07,4.2,None,6.94,263.79,2,1,0,0,17,NEUTRAL,263.79,263.0535,0,0,3.24,0.79,N,2,TRUE,FALSE,FALSE,1,FALSE,1,Clc1ccccc1CN1CCc2sccc2C1,Ticlopidin-puren_Ticlopidine_,,,,,,,,
CHEMBL290916,N07XX14_,2,1.8,1,1.53,1.53,None,None,174.2,2,3,0,0,13,NEUTRAL,174.2,174.0793,0,0,32.67,0.64,Y,1,FALSE,TRUE,FALSE,0,FALSE,0,CC1=NN(c2ccccc2)C(=O)C1,C.i. developer 1_NSC-2629_Radicut_MCI-186_Phenyl methyl pyrazolone_Norphenazone_NSC-12_Radicava_NSC-26139_Antipyrine related compound a_Colorex pmp_Edaravone_Developer z_Jarocol pmp_,,,,,,,,
CHEMBL834,M05BA03_,2,-1.66,0,-6.91,-4.54,0.67,9.86,235.07,4,8,6,7,13,ZWITTERION,235.07,235.0011,1,1,161.31,0.32,N,4,FALSE,TRUE,FALSE,0,FALSE,0,NCCC(O)(P(=O)(O)O)P(=O)(O)O,Pamidronic Acid_Pamidronate_Pamidronic acid_CGP-23339AE_Ribodroat_,,,,,,,,
CHEMBL291157,J01MB01_,2,2.78,3,0.71,1.89,6,4.89,294.31,4,5,1,1,22,ACID,294.31,294.1004,0,0,72.19,0.81,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21,Eradicin_Eradacin_Roxadyl_WIN 35,213_Eracine_WIN-35213_Winuron_Acrosoxacin_NSC-146617_Rosoxacin_Winoxacin_Eradacil_,,,,,,,
CHEMBL836,G04CA02_,1,2.34,2,0.47,2.04,9.93,9.28,408.52,6,7,2,3,28,BASE,408.52,408.1719,0,0,99.88,0.55,N,11,TRUE,FALSE,FALSE,0,FALSE,0,CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1,HGP-0412_HIP1402_HIP-1402_Tamsulon_Tamsulosin_,,,,,,,,
CHEMBL158,J01DF01_,1,-1.17,1,-6.12,-3.08,-1.52,3.91,435.44,10,13,4,5,28,ACID,435.44,435.0519,1,0,201.58,0.17,N,7,FALSE,TRUE,TRUE,0,FALSE,0,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,Azonam_Cayston_Aztreon_SQ-26776_Azactam_Nebactam_Primbactam_NSC-758913_SQ 26776_SO 26776_NSC-646279_Aztreonam_,,,,,,,,
CHEMBL44354,J01DD02_,1,-1.3,2,-6.94,-4.16,2.51,3.94,546.59,11,13,3,4,37,ACID,546.59,546.0991,2,2,191.22,0.15,N,9,FALSE,TRUE,FALSE,0,FALSE,1,CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O,Ceftazidime hydrate_Fortaz_GR 20263_GR-20263_J01DD07_Tazidime_LY 139381_Fortum_Tazicef_Ceptaz_Ceftazidime anhydrous_Kefazim_LY-139381_Ceftazidime_NSC-759260_Ceftazidime pentahydrate_Fortam_Ceftazidime (arginine formulation)_Pentacef_,,,,,,,,
CHEMBL838,C09AA07_,1,2.57,2,0.07,1.54,3.53,5.36,424.5,5,7,2,2,31,ACID,424.5,424.1998,0,0,95.94,0.6,N,9,TRUE,FALSE,FALSE,1,FALSE,1,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O,Lotensin_Cibacene_CGS-14824A_C09AA07_Forteekor_Cibacen ws_Briem_Benazepril_Benazepril sandoz_Lotrel_,,,,,,,,
CHEMBL41286,M01AX21_,2,2.01,2,-1.62,1.79,3.37,None,368.3,7,8,1,1,27,ACID,368.3,368.0532,0,0,124.04,0.55,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,Diacerhein_SF-277_Verboril_NSC-758147_Diacetylrhein_AC-201_M-01AX21_Diora_Zondar_Rhein diacetate_Fisiodar_M01AX21_Diacerein_Artrodar_,,,,,,,,
CHEMBL41355,N03AX21_,2,3.59,2,2.7,2.7,13.6,3.99,303.34,4,5,3,4,22,NEUTRAL,303.34,303.1383,0,0,76.38,0.74,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N,AWD21-360_GW582892X_Trobalt_WAY-143841_GKE-841_Ezogabine_GW-582892X_Retigabine_D-23129_AWD-21360_Potiga_,,,,,,,,
CHEMBL288441,L01EA04_,2,5.19,3,3.37,4.09,None,8.03,530.46,8,8,1,1,36,NEUTRAL,530.46,529.1647,2,2,82.88,0.38,N,9,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl,Bosutinib monohydrate_Bosutinib_Bosutinib (as monohydrate)_Bosutinib hydrate_SKI-606_SK-606_Bosulif_,,,,,,,,
CHEMBL839,S01ED05_C07AA15_S01ED55_,0,1.7,1,-0.89,1.42,13.41,9.76,292.38,4,5,3,3,21,BASE,292.38,292.1787,0,0,70.59,0.77,N,5,TRUE,FALSE,TRUE,0,FALSE,0,CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2,Cartrol_Carteolol_Ocupress_,,,,,,,,
CHEMBL841,A07DA03_A07DA53_,2,5.09,3,2.77,4.77,13.96,9.41,477.05,3,4,1,1,34,BASE,477.05,476.2231,1,1,43.78,0.52,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,Loperamide_Imodium_,,,,,,,,
CHEMBL842,C03AA04_C03AH01_,2,-0.06,1,-1,-0.31,6.49,None,295.73,5,7,2,3,17,ACID,295.73,294.9488,0,0,118.69,0.75,N,1,TRUE,TRUE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,Saluric_NSC-25693_Hydrochlorothiazide impurity, chlorothiazide-_Chlorothiazide_Chlorthiazide_Diuril_,,,,,,,
CHEMBL843,,0,2.49,2,2.21,2.45,6.84,6.23,473.51,6,6,1,1,25,NEUTRAL,357.44,357.1147,0,0,71.53,0.82,N,7,TRUE,FALSE,FALSE,0,TRUE,1,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,Rosiglitazone maleate_BRL-49653_Rosiglitzazone maleate_Avandia_NSC-717764_BRL-49653C_BRL-49653-C_,,,,,,,,
CHEMBL844,S01GA07_S01EA05_D11AX21_,2,1.76,2,0.42,1.37,None,8.32,292.14,5,5,2,2,17,NEUTRAL,292.14,291.012,0,0,62.2,0.84,N,1,FALSE,FALSE,TRUE,0,FALSE,0,Brc1c(NC2=NCCN2)ccc2nccnc12,AGN-190342 FREE BASE_UK-14304_NSC-318825_UK-1430418 FREE BASE_Brimonidine_,,,,,,,,
CHEMBL43452,L04AX06_,0,-0.33,1,-0.16,-0.16,11.59,1.56,273.25,5,7,2,3,20,NEUTRAL,273.25,273.075,0,0,109.57,0.54,N,1,TRUE,FALSE,FALSE,0,FALSE,1,Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,IMID-3_CC-4047_Pomalidomide_Imnovid_Pomalyst_Actimid_IMID 3_,,,,,,,,
CHEMBL846,A11CC04_D05AX03_,1,5.7,0,4.35,4.35,None,None,416.65,3,3,3,3,30,NEUTRAL,416.65,416.329,1,1,60.69,0.52,N,6,TRUE,TRUE,TRUE,0,FALSE,0,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O,Dihydroxycholecalciferol_Vectical_1alpha,25-dihydroxycholecalciferol_RO 21-5535_RO-21-5535_1,25-dihydroxyvitamin d3_1,25-hydroxylated vitamin d_1alpha,25-dihydroxyvitamin d3_Dihydroxyvitamin D 3_Calcitriol_RO-215535_Rocaltrol_Topitriol_Calcijex_Silkis_,,,,
CHEMBL847,P02BA02_,0,1.81,1,-0.85,1.57,None,9.89,279.34,5,6,3,3,20,BASE,279.34,279.1583,0,0,87.43,0.56,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1,Vansil_NSC-352888_Oxamniquine_UK-4261_UK-4271_Oxamniquinum_,,,,,,,,
CHEMBL848,L04AX04_,0,0.03,1,-0.71,-0.71,11.61,2.31,259.26,4,6,2,3,19,NEUTRAL,259.26,259.0957,0,0,92.5,0.55,N,1,TRUE,FALSE,FALSE,0,FALSE,1,Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O,SYP-1512_Lenalidomide_Revlimid_CDC-501_NSC-747972_CC-5013_,,,,,,,,
CHEMBL42336,V03AB26_,1,0.15,0,-2.19,-2.19,2.53,9.5,149.22,3,3,2,3,9,ZWITTERION,149.22,149.051,0,0,63.32,0.6,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CSCC[C@H](N)C(=O)O,NSC-22946_Racemethionine_L-methionine_Methionine_,,,,,,,,
CHEMBL42403,S02AA03_,2,None,None,None,None,None,None,61.83,None,None,None,None,None,NA,61.83,62.0175,None,None,None,None,None,None,FALSE,FALSE,FALSE,0,FALSE,0,OB(O)O,Nci-c56417_Boric acid (bh3o3)_Boric acid (h(sub 3)bo(sub 3))_Boric Acid_INS NO.284_NSC-81726_Boracic acid_INS-284_Boric acid_E284_Boricum acidum_E-284_,,,,,,,,
CHEMBL849,D08AE04_D09AA06_,2,5.14,2,4.8,4.98,7.68,None,289.55,2,2,1,1,17,NEUTRAL,289.55,287.9512,1,1,29.46,0.83,N,2,FALSE,FALSE,TRUE,0,FALSE,0,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,Cloxifenol_Skinsan_Gamophen_Innoxa_Tegusept_CH-3565_NSC-759151_Stri-dex face wash_Aquasept_CH 3565_Manusept_Triclosan_Stri-dex cleansing bar_DNDI1246774_,,,,,,,,
CHEMBL850,J01MA09_,1,2.08,2,-0.07,-0.07,5.56,8.79,392.41,6,7,3,4,28,ZWITTERION,392.41,392.166,0,0,100.59,0.69,N,3,TRUE,FALSE,FALSE,0,TRUE,0,C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1,CI-978_Zagam_NSC-759641_Spara_AT-4140_Sparfloxacin_,,,,,,,,
CHEMBL852,L01AA03_,1,1.93,1,0.25,0.25,1.29,9.51,305.21,3,4,2,3,19,ZWITTERION,305.21,304.0745,0,0,66.56,0.72,N,8,TRUE,FALSE,FALSE,0,FALSE,1,N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,NSC-241286_L-phenylalanine mustard_L-sarcolysin_L-pam_NCI-C04853_SK 15673_Alanine nitrogen mustard_Melfalan_CB 3025_NSC-8806_Alkeran_Phenylalanine mustard_CB-3025_SK-15673_Sarcolycin, l-_Melphalan_Aikeran_,,,,,,,
CHEMBL297302,N05AD07_,2,4.18,3,2.63,3.79,12.66,8.53,381.45,5,5,1,1,28,BASE,381.45,381.1853,0,0,58.36,0.65,N,6,FALSE,FALSE,FALSE,0,FALSE,0,O=C(CCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1,NSC-170982_MCN-JR-4584_Benperidol_Benquil_R-4584_Anquil_,,,,,,,,
CHEMBL853,J05AF03_,1,-0.5,1,-1.19,-1.19,None,None,211.22,6,6,2,3,15,NEUTRAL,211.22,211.0957,0,0,90.37,0.69,N,2,TRUE,FALSE,FALSE,1,FALSE,1,Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1,Zalcitabine_Dideoxycytidine_RO 24-2027/000_Ddc (ddc)_RO-24-2027000_NSC-606170_Hivid_RO-242027000_,,,,,,,,
CHEMBL855,R06AX07_,2,3.92,2,2.79,4.05,None,8.64,278.4,2,2,0,0,21,BASE,278.4,278.1783,0,0,16.13,0.84,N,4,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1,Allerfed_Myidyl_Myfed_Histafed_Corphed_Trilitron_Actahist_Triprolidine_Actidil_Triphed_Actifed_,,,,,,,,
CHEMBL45029,N03AA01_,0,1.04,1,1.33,1.63,7.4,None,246.27,3,5,1,1,18,NEUTRAL,246.27,246.1004,0,0,66.48,0.79,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O,Methylphenobarbitone_Mebaral_Prominal_Enphenemal_Mephobarbital_Menta-bal_Isonal_Phemetone_Metylfenemal_Mephobarbital civ_Methylphenobarbital_,,,,,,,,
CHEMBL46399,N02AD02_,0,4.16,2,1.97,4.08,9.96,10.86,321.46,2,2,1,1,24,BASE,321.46,321.2093,0,0,23.47,0.92,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1,Phenazocine_IDS-NP-008_Phenethylazocine_Phenobenzorphan_,,,,,,,,
CHEMBL296419,R06AX11_,2,5.35,4,4.01,5.39,None,8.73,458.58,5,5,1,1,34,BASE,458.58,458.2482,1,1,42.32,0.39,N,8,TRUE,FALSE,FALSE,0,TRUE,0,COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,GNF-Pf-2461_Pollon-eze_Astemizole_NSC-329963_NSC-759570_Hismanal_R 43,512_,,,,,,,
CHEMBL46740,G03XC02_,2,6.33,4,4.72,6,9.62,9.08,470.61,5,5,2,2,35,BASE,470.61,470.2569,1,1,57.86,0.33,N,7,TRUE,FALSE,FALSE,0,FALSE,0,Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,Bazedoxifene_,,,,,,,,
CHEMBL856,N03AA03_,2,0.54,1,1.12,1.12,11.5,None,218.26,2,4,2,2,16,NEUTRAL,218.26,218.1055,0,0,58.2,0.71,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CCC1(c2ccccc2)C(=O)NCNC1=O,Lepimidin_Mysoline_Resimatil_Lepsiral_Primidone_Liskantin_NSC-41701_Primaclone_Neurosyn_,,,,,,,,
CHEMBL859,,2,-1.06,2,0.23,0.3,8.18,None,152.11,3,6,3,3,11,NEUTRAL,152.11,152.0334,0,0,94.4,0.45,N,0,FALSE,FALSE,FALSE,0,FALSE,0,O=c1[nH]c(=O)c2c[nH]nc2[nH]1,NSC-76239_Oxypurinol_Oxipurinol_,,,,,,,,
CHEMBL861,N03AB04_N03AB54_,0,1.47,1,1.67,1.67,11.09,None,218.26,2,4,1,1,16,NEUTRAL,218.26,218.1055,0,0,49.41,0.76,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CCC1(c2ccccc2)NC(=O)N(C)C1=O,Mephenytoin_Mesantoin_Methoin_NSC-34652_,,,,,,,,
CHEMBL46917,,2,2.56,2,2.46,2.46,None,None,201.22,2,3,1,1,15,NEUTRAL,201.22,201.079,0,0,38.33,0.77,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,CNC(=O)Oc1cccc2ccccc12,Carbaryl_ENT-23969_Derbac-c_Derbac_Carylderm_Clinicide_NSC-27311_Carbaril_Suleo-c_,,,,,,,,
CHEMBL862,C02AC02_,2,1.55,1,0.49,1.74,11.64,8.65,246.1,2,4,3,4,15,BASE,246.1,245.0123,0,0,78.97,0.55,N,2,TRUE,FALSE,FALSE,0,FALSE,0,N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,Tenex_NSC-759121_Intuniv_Guanfacine_,,,,,,,,
CHEMBL46516,N05AG01_,2,5.31,3,3.87,5.78,11.99,9.31,475.58,3,4,1,1,35,BASE,475.58,475.2435,1,1,35.58,0.5,N,7,FALSE,FALSE,FALSE,0,FALSE,0,O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,R-6218_Imap_MCN-JR-6218_R 6218_Fluspirilene_Redeptin_,,,,,,,,
CHEMBL864,R06AA08_,0,3.4,2,1.79,3.27,None,8.87,290.79,3,3,0,0,20,BASE,290.79,290.1186,0,0,25.36,0.82,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1,Carbinoxamine_Palgic_Clistin_,,,,,,,,
CHEMBL43064,N07CA02_N07CA52_,2,5.11,3,5.1,5.88,None,8.1,368.52,2,2,0,0,28,NEUTRAL,368.52,368.2252,1,1,6.48,0.6,N,6,FALSE,FALSE,FALSE,0,FALSE,0,C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,R-1575_Cinnacet_Cerebolan_Sepan_R-516_Sedatromin_Cinnipirine_Processine_Midronal_Dimitron_Spaderizine_Cinnageron_Cinnarizine_Mylan travel sickness_Stugeron fte_Folcodal_Cinarizine_Stutgin_Glanil_Artate_Katoseran_R 1575_Stugeron_Cinazyn_Marzine r.f._Stutgeron_Olamin_Corathiem_Siptazin_Denapol_516-MD_Giganten_Stunarone_R 516_Eglen_Ixertol_516 MD_Labyrin_Aplactan_Aplexal_Hilactan_Cerepar_Carecin_Cinaperazine_Mitronal_NSC-758400_,,,,,,,,
CHEMBL45305,,2,3.92,2,2.64,2.89,None,7.3,393.87,3,4,1,1,27,NEUTRAL,393.87,393.1419,0,0,45.23,0.84,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1,F-13640_NLX-112_Befiradol_F13640_,,,,,,,,
CHEMBL46469,D05AC51_D05AC01_,2,2.23,2,4.21,4.24,8.47,None,226.23,3,3,2,2,17,NEUTRAL,226.23,226.063,0,0,57.53,0.62,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,O=C1c2c(O)cccc2Cc2cccc(O)c21,Alphodith_Drithoscalp_Dithrocream_Chrysodermol_Batridol_Dithrocream hp_Psoriacid-stift_Dithranol_NSC-43970_Micanol_Cignolin_Psoradrate_Drithocreme_Batidrol_Psorin fte_Stie-lasan_Lasan_Anthralin_Anthraderm_Derobin_Psorin_NSC-629313_Anthra-derm_Cigthranol_Psodadrate_Psoriacide_Antraderm_Dithrocream fte_,,,,,,,,
CHEMBL865,M01AH03_,2,2.96,3,2.82,2.82,10.06,0.42,314.37,4,5,1,2,22,NEUTRAL,314.37,314.0725,0,0,86.19,0.8,N,3,TRUE,FALSE,FALSE,0,TRUE,1,Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,Valdecoxib_Valdyn_SC-65872_NSC-759846_Bextra_,,,,,,,,
CHEMBL296913,,2,3.53,3,2.57,3.51,4.24,0.42,392.41,5,6,1,1,26,ACID,370.43,370.0987,0,0,89.27,0.74,N,5,FALSE,FALSE,FALSE,1,FALSE,0,CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.[Na+],SC-69124A_Parecoxib sodium_Parecoxib sodium salt_Dynastat_,,,,,,,,
CHEMBL44884,J04AK02_,1,-0.29,0,-2.25,-0.06,None,9.55,204.31,4,4,4,4,14,BASE,204.31,204.1838,0,0,64.52,0.39,N,9,TRUE,FALSE,FALSE,0,FALSE,0,CC[C@@H](CO)NCCN[C@@H](CC)CO,Ethambutol_,,,,,,,,
CHEMBL46058,N01BX01_,2,1.25,0,1.19,1.19,None,None,64.52,0,0,0,0,3,NA,64.52,64.008,0,0,0,0.37,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,CCCl,Chloroethane_Ethyl Chloride_Ethyl chloride_,,,,,,,,
CHEMBL866,L04AA06_,2,2.73,1,0.17,3.53,3.57,None,320.34,5,6,2,2,23,ACID,320.34,320.126,0,0,93.06,0.62,N,6,TRUE,FALSE,FALSE,0,FALSE,1,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,68618_NSC-129185_RS-61443 [AS MOFETIL]_Mycophenolic acid_Mycophenolate mofetil impurity, mycophenolic acid-_Myfortic_Mycophenolate_,,,,,,,
CHEMBL44657,L01CB01_,1,1.34,2,1.16,1.16,9.33,None,588.56,13,13,3,3,42,NEUTRAL,588.56,588.1843,2,2,160.83,0.43,N,5,TRUE,TRUE,FALSE,0,FALSE,1,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,Vepesid_Etoposide_VP-16-213_Sintopozid_Etoposide resolution mixture_Toposar_NSC-141540_Etoposidum_,,,,,,,,
CHEMBL46286,L01XX40_,1,2.58,1,-0.12,1.88,12.09,9.42,545.63,10,10,2,2,39,BASE,545.63,545.2625,1,1,123.99,0.45,N,9,FALSE,TRUE,FALSE,0,FALSE,0,COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4,Omapro_Ceflatonin_NSC-141633_Myelostat_Synribo_CGX-635_Omacetaxine mepesuccinate_Homoharringtonin_HOMOHARRINGTONINE_,,,,,,,,
CHEMBL262777,S01AA28_A07AA09_J01XA01_,1,None,None,None,None,None,None,1449.27,None,None,None,None,None,NA,1449.27,1447.4302,None,None,None,None,None,None,TRUE,TRUE,FALSE,0,FALSE,1,CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O,Vancoled_Vancomycin_Vancor_,,,,,,,,
CHEMBL869,B05CA03_P01CC02_S02AA02_D09AA03_D08AF01_S01AX04_,2,0.19,1,-0.14,-0.14,11.79,None,198.14,5,8,2,3,14,NEUTRAL,198.14,198.0389,0,0,123.76,0.41,N,3,FALSE,FALSE,TRUE,1,TRUE,0,NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1,Furazone_NSC-1602_Furacin_Nitrofurazone_Nitrofural_Actin-n_NSC-2100_Furacilin_Furacine_,,,,,,,,
CHEMBL870,M05BA04_,2,-1.27,0,-6.56,-4.19,0.69,9.91,249.1,4,8,6,7,14,ZWITTERION,249.1,249.0167,1,1,161.31,0.33,N,5,TRUE,FALSE,FALSE,0,FALSE,0,NCCCC(O)(P(=O)(O)O)P(=O)(O)O,Alendronic acid_Alendronate_Fosamax_Binosto_Alendronic Acid_,,,,,,,,
CHEMBL871,M05BA01_,2,-0.99,0,-7.2,-2.28,0.7,None,206.03,3,7,5,5,11,ACID,206.03,205.9745,0,0,135.29,0.37,N,2,TRUE,TRUE,FALSE,0,FALSE,0,CC(O)(P(=O)(O)O)P(=O)(O)O,Etidronic acid_Etidronate_NSC-227995_Didronel_M05BA01_,,,,,,,,
CHEMBL159,L01CA01_,1,3.99,3,1.81,4.18,10.87,8.86,810.99,12,13,3,3,59,BASE,810.99,810.4204,2,2,154.1,0.18,N,7,FALSE,TRUE,FALSE,0,FALSE,1,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,[3H]-Vinblastine_Vinblastine_Velban_NSC-47842_,,,,,,,,
CHEMBL296468,,2,3.66,2,0.33,0.94,7.94,10.17,380.54,7,6,2,2,25,BASE,380.54,380.1341,0,0,80.05,0.77,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,Bms-387032_Sns 032_Bms387032_SNS-032_BMS-387032_,,,,,,,,
CHEMBL45816,C08CX01_,1,5.27,3,2.75,5.16,12.54,9.82,495.64,5,6,1,1,36,BASE,495.64,495.2897,1,1,67.45,0.37,N,11,TRUE,FALSE,FALSE,0,TRUE,0,COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C,Posicor 100_Mibefradil_Posicor_Posicor 50_,,,,,,,,
CHEMBL298470,P01BA07_,0,5.91,3,2.37,4.97,None,10.2,463.5,6,6,2,3,33,BASE,463.5,463.2083,1,1,78.63,0.41,N,9,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1,SB-252263-AAB_Tafenoquine_WR 238605_,,,,,,,,
CHEMBL160,S01XA18_L04AD01_,1,None,None,None,None,None,None,1202.63,None,None,None,None,None,NA,1202.63,1201.8414,None,None,None,None,None,None,TRUE,TRUE,TRUE,0,FALSE,1,C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,Ciclosporin a_Cyclosporine_Sandimmune_Cyclosporine, modified_OL-27-400_Cequa_Restasis_Gengraf_Neoplanta_Cyclosporine a_SDZ-OXL-400_Ciclosporinum_Neoral_Mitogard_Cyclosporin a_Deximune_NSC-290193_Neurostat_ANTIBIOTIC S-7481F1_Optimmune_Ikervis_Equoral_Verkazia_27-400_Cyclosporine microemulsion_Cyclosporin_Restasis multidose_Ramihyphin a_SANG-35_Zinograf me_Capimune_Vanquoral_Atopica_Sangcya_Capsorin_Sandimmun_Ciclosporin_,,,,,,,
CHEMBL49429,,2,6.05,4,5.98,5.98,None,None,473.94,3,5,1,1,34,NEUTRAL,473.94,473.1306,1,1,54.34,0.39,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1,VPA 985_Lixivaptan_CRTX 080_WAY-VPA-985_Lixar_CRTX-080_Vpa-985_VPA-985_,,,,,,,,
CHEMBL877,B02AA02_,1,0.84,0,-1.55,-1.55,4.56,10.22,157.21,2,3,2,3,11,ZWITTERION,157.21,157.1103,0,0,63.32,0.62,N,2,TRUE,TRUE,FALSE,0,FALSE,0,NC[C@H]1CC[C@H](C(=O)O)CC1,Exacyl_Transamin_RP-18429_Trans AMCHA_CL-65336_Femstrual_Cyklo-f heavy period relief_Haematrix_Cyclocapron_Amcha_Espercil_Cyklokapron_Tranexamic acid_Cyclokapron_LB1148_Cyclo-f_LB-1148_Rikavarin_CL 65336_TRANS-AMCHA_NSC-291305_Lysteda_TRANS AMCHA_Menstralite_,,,,,,,,
CHEMBL878,C03BA08_,0,2.71,2,2.94,2.94,9.54,None,365.84,4,6,2,3,24,NEUTRAL,365.84,365.0601,0,0,92.5,0.86,N,2,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,SR-720-22_Zaroxolyn_Oldren_Metenix_Metazoline_Diulo_Mykrox_SR 720-22_Metolazone_NSC-759581_Xuret_Normelan_Metozalone_,,,,,,,,
CHEMBL880,J05AB09_S01AD07_,2,0.54,2,-0.48,-0.48,None,3.65,321.34,9,9,1,2,23,NEUTRAL,321.34,321.1437,0,0,122.22,0.73,N,7,TRUE,FALSE,FALSE,1,FALSE,0,CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O,Famciclovir_NSC-758921_Famvir_BRL-42810_,,,,,,,,
CHEMBL49080,R03AC14_R03CC13_,0,3,1,0.14,2.33,None,9.63,277.2,3,3,3,4,17,BASE,277.2,276.0796,0,0,58.28,0.74,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,NAB 365_Clenbuterol hydrochloride_Clenbuterol_Contraspasmin_Spiropent mite_Planipart_Spiropent_NSC-758633_,,,,,,,,
CHEMBL885,J05AF09_,1,-0.46,1,-0.9,-0.9,None,None,247.25,7,6,2,3,16,NEUTRAL,247.25,247.0427,0,0,90.37,0.73,N,2,TRUE,FALSE,FALSE,1,FALSE,1,Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F,524W91_(-)-FTC_Biktarvy_BW-524W91_Emtriva_Coviracil_Emtricitabinum_FTC-(-)_(-)-emtricitabine_Emtricitabine, (-)-_Emtricitabine_524-W-91_FTC_,,,,,,,
CHEMBL49120,,2,5.77,4,3.74,5.7,None,9.37,512.44,7,7,1,1,35,BASE,512.44,511.1542,2,2,72.28,0.31,N,9,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,TCMDC-140940_PD-0166285_,,,,,,,,
CHEMBL887,N04BD02_,1,1.9,1,1.27,2.3,None,8.4,171.24,1,1,1,1,13,NEUTRAL,171.24,171.1048,0,0,12.03,0.67,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,C#CCN[C@@H]1CCc2ccccc21,TV-1030_NSC-759639_AGN-1135_Azilect_Rasagiline_,,,,,,,,
CHEMBL888,L01BC05_,1,-1.29,1,-1.47,-1.47,11.52,None,263.2,7,7,3,4,18,NEUTRAL,263.2,263.0718,0,0,110.6,0.61,N,2,FALSE,TRUE,FALSE,1,FALSE,0,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,LY-188011_Gemcitabine_NSC-613327_LY188011_Gemzar_,,,,,,,,
CHEMBL431733,,1,1.06,3,1.51,1.51,12.39,1.96,544.74,9,10,4,4,30,NEUTRAL,544.74,544.0123,1,1,134.42,0.28,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CF102_Namodenoson_CF-102_CL-IB-MECA_Cf102_Chloro-ib-meca_CI-IB-MECA_,,,,,,,,
CHEMBL296306,A06AD11_A06AD61_,1,-5.4,0,-4.53,-4.53,10.28,None,342.3,11,11,8,8,23,NEUTRAL,342.3,342.1162,2,2,189.53,0.24,N,5,TRUE,FALSE,TRUE,0,FALSE,0,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,Laxilose_Constilac_Duphalac_4-galactosyl fructose_Cephulac_Enulose_Bifiteral_Generlac_Laxose orange_Regulose_Evalose_NSC-757082_Osmolax_Constulose_Cholac_Lactulose jp17_Lactulose_Acilac_Chronulac_Lemlax_Heptalac_E966_Duphalac dry_Portalac_,,,,,,,,
CHEMBL52333,,1,2.78,2,3.2,3.23,8.4,2.44,356.47,5,6,1,1,26,NEUTRAL,356.47,356.2212,0,0,72.68,0.9,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCC)c1=O,KW-3902_MK-7418_Rolofylline_KW 3902_,,,,,,,,
CHEMBL48582,,1,2.37,2,1.84,2.48,None,7.93,398.46,3,4,2,3,22,NEUTRAL,302.35,302.1431,0,0,64.35,0.83,N,7,TRUE,FALSE,FALSE,0,FALSE,0,CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O,Safinamide methanesulfonate_Safinamide mesilate_Xadago_NW 1015_PNU 151774E_PNU-151774E_NW-1015_Safinamide mesylate_Safinamide methansulfonate_EMD 1195686_,,,,,,,,
CHEMBL299400,,1,3.37,1,0.81,2.89,9.86,10.7,477.55,3,3,2,2,24,BASE,327.47,327.2198,0,0,43.7,0.88,N,2,FALSE,TRUE,TRUE,0,FALSE,1,O=C(O)C(O)C(O)C(=O)O.Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,Butorphanol tartrate_Torbugesic_LEVO-BC-2627 TARTRATE_Torbutrol_Butorphanol tartrate civ_Dolorex_Stadol preservative free_Butorphanol tartrate preservative free_Stadol ns_Stadol_,,,,,,,,
CHEMBL893,J01CF01_,1,3.2,2,-0.38,2.91,3.75,None,470.33,6,8,2,2,30,ACID,470.33,469.0266,0,0,112.74,0.66,N,4,TRUE,FALSE,FALSE,0,FALSE,0,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,Dycill_R-13423_Pathocil_Dicloxacillin_Dynapen_BRL-1702_,,,,,,,,
CHEMBL894,N06AX12_,0,3.3,1,2.39,3.27,None,8.22,239.75,2,2,1,1,16,NEUTRAL,239.75,239.1077,0,0,29.1,0.82,N,3,TRUE,FALSE,FALSE,0,FALSE,1,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,Bupropion slow release_NSC-758686_Bupropion_Bupropion extended release_Amfebutamone_,,,,,,,,
CHEMBL895,N02AF02_,1,1.71,1,-0.73,1.19,10.39,9.62,357.45,5,5,3,3,26,BASE,357.45,357.194,0,0,73.16,0.75,N,2,FALSE,FALSE,FALSE,0,FALSE,0,Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,Intapan_Nalbuphine_Nubain_,,,,,,,,
CHEMBL52440,N07XX59_R05DA09_,1,3.38,1,1.08,3.49,None,9.85,271.4,2,2,0,0,20,BASE,271.4,271.1936,0,0,12.47,0.78,N,1,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3,NSC-751452_Dextromethorphan_Dimetane-DX_,,,,,,,,
CHEMBL896,N05BB01_N05BB51_,0,3.06,2,3.09,3.41,None,7.45,374.91,4,4,1,1,26,NEUTRAL,374.91,374.1761,0,0,35.94,0.72,N,8,TRUE,TRUE,FALSE,0,FALSE,0,OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,U.c.b-4492_NSC-169188_Atarax_Orgatrax_Hydroxyzine_Ataraxoid_Tran-q_Tranquizine_Marex_,,,,,,,,
CHEMBL897,M04AB01_,2,2.2,1,-0.92,2.44,3.53,None,285.36,3,5,1,1,19,ACID,285.36,285.1035,0,0,74.68,0.83,N,7,TRUE,FALSE,FALSE,0,FALSE,0,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,Benemid_Probenate_Probenecidum_Probalan_Benuryl_Probecid_Probenecid_Probampicin_HC 5006_NSC-18786_,,,,,,,,
CHEMBL898,N02BA11_,2,3.04,2,0.41,3.91,2.69,None,250.2,2,3,2,2,18,ACID,250.2,250.0442,0,0,57.53,0.86,N,2,TRUE,FALSE,FALSE,0,FALSE,1,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,NSC-756728_Diflunisal_Dolobid 500_Dolobid_,,,,,,,,
CHEMBL440115,,1,3.78,3,3.62,3.62,None,1.61,375.47,4,5,1,1,28,NEUTRAL,375.47,375.1947,0,0,57.84,0.69,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)N1CCCC[C@@H]1CCO,FK-453_Fk453_,,,,,,,,
CHEMBL900,M03BC51_,0,3.66,2,2.69,4.17,None,8.87,269.39,2,2,0,0,20,BASE,269.39,269.178,0,0,12.47,0.79,N,6,TRUE,TRUE,FALSE,0,FALSE,0,Cc1ccccc1C(OCCN(C)C)c1ccccc1,Mefenamine_Orphenadrin_Disipal_Mialgin_Norgesic_Invagesic_Norflex_Orphengesic_Orphenadrine_,,,,,,,,
CHEMBL902,A02BA03_A02BA53_,2,-0.77,1,-2.67,-1.95,9.29,8.38,337.46,6,9,4,8,20,NEUTRAL,337.46,337.0449,1,0,175.83,0.29,N,7,TRUE,TRUE,FALSE,0,FALSE,0,NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1,Gastridin_Pepcid rpd_Famodil_Pepcidac_MK-208_Pepdine_Famosan_Pepcid ac_Pepcid_Famotidine_Famotidine preservative free_NSC-757810_Amfamox_YM-11170_Gastropen_Motiax_Pepdul_Lecedil_Muclox_Famoxal_Ganor_Famotidine preservative free (pharmacy bulk)_Fluxid_Fadul_Pepcid preservative free_L 643341_,,,,,,,,
CHEMBL53463,L01DB01_,1,0,2,0.1,0.53,8,9.03,543.53,12,12,6,7,39,BASE,543.53,543.1741,3,3,206.07,0.24,N,5,FALSE,FALSE,FALSE,0,FALSE,0,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,Epirubicin hydrochloride impurity, doxorubicin-_NSC-759155_Doxorubicin_NSC-123127_Doxil_Adriablastin_Adriamycin_Hydroxydaunorubicin_Valrubicin impurity, doxorubicin_Adriblastina_Rubex_,,,,,,
CHEMBL904,,1,2.09,1,0.57,2.25,None,9.09,269.77,3,3,1,1,17,BASE,233.31,233.1416,0,0,38.33,0.81,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1.Cl,Focalin xr_Dexmethylphenidate hydrochloride_Methylphenidate d-threo-form hydrochloride_Dexmethylphenidate hcl_Focalin_,,,,,,,,
CHEMBL905,N02CC04_,2,1.91,3,-0.37,1.77,None,9.56,269.35,4,5,1,1,20,BASE,269.35,269.164,0,0,49.74,0.77,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12,MK-462 FREE BASE_Maxalt_Maxalt-Mlt_L-705126_Rizatriptan_MK-462_,,,,,,,,
CHEMBL54126,,2,1.94,1,-2.25,-2.25,None,None,303.2,2,4,0,0,16,NA,223.3,223.1441,0,0,29.54,0.72,Y,2,FALSE,FALSE,FALSE,0,FALSE,0,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-],Kirkstigmine bromide_Vagostigmin_NSC-757233_Neostigmine_Syntostigmin bromide_Neoproserine_Neostigmine bromide_Neostigmini bromidum_Neo proserine_,,,,,,,,
CHEMBL908,N05AF03_,2,5.19,2,2.73,5.07,None,9.76,315.87,2,1,0,0,21,BASE,315.87,315.0848,1,1,3.24,0.65,N,3,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,N-714RO 4-0403_RO 4-0403_RO-40403_NSC-18720_Taractan_Truxal_N-714_RO-4-0403_Chlorprothixene_,,,,,,,,
CHEMBL911,N05CF02_,2,3.25,3,3.01,3.02,None,5.39,307.4,3,4,0,0,23,NEUTRAL,307.4,307.1685,0,0,37.61,0.74,N,3,TRUE,FALSE,TRUE,0,FALSE,1,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,Ambien_Zolpidem civ_Sanval_Zolpidem_,,,,,,,,
CHEMBL914,R06AX26_,0,5.51,3,2.93,2.94,4.04,9.01,501.67,4,5,3,3,37,ZWITTERION,501.67,501.2879,2,2,81,0.34,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,Fexofenadine_Allegra_,,,,,,,,
CHEMBL52885,,2,3.15,4,3.28,3.29,9.71,None,400.39,6,8,1,1,30,NEUTRAL,400.39,400.1172,0,0,99.17,0.32,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21,RO-31-7453_ENMD-2076_Ro-317453_R-440_Enmd-2076 free base_RO 31-7453_ENMD-981693_Mkc 1_MKC-1_Enmd-981693_ENMD 981693_,,,,,,,,
CHEMBL915,,2,2.48,3,-4.52,2.5,2.06,None,415.31,6,8,2,2,27,ACID,371.35,371.1005,0,0,126.81,0.66,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CCCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c12.[Na+].[Na+],Nedocromil disodium salt_Tilarin_FPL 59002KP_Tilade_Rapitil_Alocril_FPL-59002KP_Tayled_Nedocromil sodium_,,,,,,,,
CHEMBL916,B01AC17_,1,2.95,1,0.6,0.6,3.17,10.21,440.61,5,7,3,3,30,ZWITTERION,440.61,440.2345,0,0,104.73,0.38,N,14,FALSE,TRUE,FALSE,0,FALSE,0,CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O,Tirofiban_L-700462_Aggrastat_MK-383_Agrastat_,,,,,,,,
CHEMBL917,L01BC09_,1,-1.68,1,-1.4,-1.32,8.08,None,246.19,6,7,3,3,17,NEUTRAL,246.19,246.0652,0,0,104.55,0.58,N,2,FALSE,TRUE,FALSE,0,FALSE,1,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F,5-Fluoro-2-deoxyuridine_FUDR_Floxuridine_NSC-27640_Fudr_5-fudr_F.u.d.r._Fluoruridine deoxyribose_,,,,,,,,
CHEMBL918,N03AX07_,2,0.42,1,0.46,0.46,11.75,None,178.19,2,4,2,3,13,NEUTRAL,178.19,178.0742,0,0,72.19,0.69,N,2,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)NC(=O)Cc1ccccc1,NSC-39458_Phenacemide_Phenurone_,,,,,,,,
CHEMBL919,,2,1.55,2,-1.65,1.67,1.46,None,406.24,4,8,3,3,25,ACID,362.28,362.0668,0,0,116.17,0.55,N,5,FALSE,TRUE,FALSE,1,FALSE,1,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)([O-])[O-].[Na+].[Na+],Cerebyx_ACC-9653-010_Pro-epanutin_CI-982_Fosphenytoin sodium_Fosphenytoin disodium salt_ACC-9653-010 (SODIUM SALT)_Sesquient_CI 982_,,,,,,,,
CHEMBL300138,,2,4.93,5,3.02,3.81,9.73,8.28,515.62,6,7,1,1,39,NEUTRAL,515.62,515.2321,1,1,72.16,0.34,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,Enzastaurin_DB102_LY-317615_Ly-317615_DB-102_Kinenza_LY317615_,,,,,,,,
CHEMBL922,J05AF08_,2,2.7,2,3.06,3.06,None,3.75,501.48,13,13,1,2,34,NEUTRAL,501.48,501.1988,2,2,166.98,0.21,N,11,TRUE,FALSE,FALSE,1,FALSE,1,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,Hepsera_Adefovir dipivoxil_GS-0840_Adefovir pivoxil_Adefovir di(pivaloyloxymethyl) ester_,,,,,,,,
CHEMBL161,J01DD04_J01DD54_,1,-1.2,2,-5.53,-1,2.72,3.54,554.59,15,15,4,5,36,ACID,554.59,554.0461,2,2,215.22,0.13,N,8,FALSE,TRUE,FALSE,0,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1,Ceftriaxone_Ceftriaxon_,,,,,,,,
CHEMBL923,M05BA07_,2,-0.37,1,-6.73,-3.32,0.68,4.91,283.11,4,8,5,5,17,ACID,283.11,283.0011,0,0,148.18,0.47,N,4,TRUE,FALSE,FALSE,0,FALSE,0,O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O,M05BA07_Risedronate_Actonel_NE-58095_Risedronic acid_Ridron_,,,,,,,,
CHEMBL924,M05BA08_,2,-1.12,1,-7.39,-3.85,0.66,6.67,272.09,5,9,5,5,16,ACID,272.09,271.9963,0,0,153.11,0.43,N,4,FALSE,TRUE,FALSE,0,FALSE,0,O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O,Zoledronic acid monohydrate_Zerlinda_CGP 42446_Anhydrous zoledronic acid_Zoladrona acid mylan_Zoledronic acid medac_Reclast_CGP-42446A_Zoledronic acid anhydrous_Zoledronic acid accord_Zoledronic acid hydrate_Zoledronate_AK-156_Zoledronic_Zometa_Aclasta_NSC-721517_Zoledronate hydrate_Zoledronic acid teva_Zoledronic acid_CGP-42446_,,,,,,,,
CHEMBL264241,J02AX06_,1,None,None,None,None,None,None,1140.25,None,None,None,None,None,NA,1140.25,1139.5063,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1,Ecalta_D70013_LY303366_V-echinocandin_VER-002_VER002_D-70013_Anidulafungin_LY-303366_Eraxis_,,,,,,,,
CHEMBL926,C01CA07_,0,2.96,2,1.16,2.62,10.14,9.27,301.39,4,4,4,4,22,BASE,301.39,301.1678,0,0,72.72,0.59,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,Racemic dobutamine_COMPOUND 81929_Dobutamine_COMPOUND-81929_Dobutrex_Dl-dobutamine_,,,,,,,,
CHEMBL927,J01DD15_,1,-0.17,1,-3.7,-0.89,2.73,3.61,395.42,9,10,4,5,26,ACID,395.42,395.0358,0,0,158.21,0.23,N,5,TRUE,FALSE,FALSE,0,FALSE,0,C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1,BMY-28488_Cefzon_CI-983_Omnicef_Cefdinir anhydrous_FK 482_NSC-758926_Cefdinir_FK-482_,,,,,,,,
CHEMBL54976,N06AX02_,1,1.12,2,-1.09,-1.09,2.54,9.4,204.23,2,4,3,4,15,ZWITTERION,204.23,204.0899,0,0,79.11,0.7,N,3,FALSE,FALSE,FALSE,0,TRUE,0,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,Tryptophan_L-tryptophan_Tryptophan ((-),l,s)_Gppe pdr sach_Tryptophan, l-_Trytophan-_Pacitron_NSC-13119_Optimax_Optimax wv_,,,,,
CHEMBL928,,2,1.74,2,1.2,1.26,8.23,None,336.24,6,9,1,1,23,NEUTRAL,314.26,314.0651,0,0,118.05,0.4,N,4,TRUE,TRUE,FALSE,0,FALSE,1,O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],Dantrium_NSC-758403_Ryanodex_Dantrolene sodium salt hemiheptahydrate_Dantrolene sodium hydrate_Dantrolen_F-440_Revonto_Dantrolene sodium heptahydrate_Dantrolene sodium_Dantamacrin_,,,,,,,,
CHEMBL298734,,1,5.91,2,4.74,4.74,None,3.28,638.83,3,6,1,2,36,NEUTRAL,638.83,636.0502,2,2,79.53,0.45,N,3,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1,Sarasar_Lonafarnib_SCH66336_SCH-66336_Zokinvy_SCH 66336_,,,,,,,,
CHEMBL929,,2,2.72,3,0.92,1.02,9.39,6.82,552.68,6,9,3,3,32,NEUTRAL,456.57,456.1944,0,0,110.43,0.53,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O,Delavirdine mesilate_U-90152T_Delavirdine methanesulfonate_Delavirdine mesylate_Rescriptor_U-90152S_,,,,,,,,
CHEMBL930,A16AA03_,1,-1.34,0,-4.01,-4,2.15,9.31,146.15,3,5,3,5,10,ZWITTERION,146.15,146.0691,0,0,106.41,0.46,N,4,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)CC[C@H](N)C(=O)O,L-glutamine_Levoglutamide_Nutrestore_FEMA NO. 3684_Glutamine_NSC-27421_Endari_,,,,,,,,
CHEMBL56367,M01AX17_M02AA26_,2,2.76,2,1.2,1.79,6.7,None,308.31,5,7,1,1,21,NEUTRAL,308.31,308.0467,0,0,98.54,0.68,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,R 805_Nimesulide_Aulin_NSC-758412_R-805_,,,,,,,,
CHEMBL931,N01AB01_,0,2.51,0,2.12,2.12,None,None,197.38,0,0,0,0,7,NEUTRAL,197.38,195.8902,0,0,0,0.52,Y,0,FALSE,FALSE,TRUE,0,FALSE,0,FC(F)(F)C(Cl)Br,Rhidialothan_FREON 123B1_Halothanum_Fluothane_Halothane_NSC-143490_,,,,,,,,
CHEMBL932,B01AC07_,2,-0.02,2,1.81,1.81,None,3.54,504.64,12,12,4,4,36,NEUTRAL,504.64,504.3173,2,2,145.44,0.31,N,12,TRUE,TRUE,FALSE,0,FALSE,0,OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,Persantin_Dipyridamole_Vasyrol_Iv persantine_Cerebrovase 25_Pyridantin_Ofcram pr_RA-8_B01AC07_NSC-515776_Persantine_Persantin ret_Modaplate_Attia_Cerebrovase 100_,,,,,,,,
CHEMBL936,,2,4.19,2,2.39,4.22,13.4,9.23,309.45,2,2,1,1,23,BASE,309.45,309.2093,0,0,23.47,0.86,N,6,TRUE,FALSE,FALSE,0,FALSE,0,OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,Diphenidol_SK-478_Vontrol_SK&F-478_Difenidol hydrochloride_SK&F 478_Difenidol_,,,,,,,,
CHEMBL937,,2,0.7,0,-0.03,0.09,None,6.9,391.42,2,4,0,0,14,NEUTRAL,199.3,199.1685,0,0,26.79,0.65,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,Diethylcarbamazine Citrate_Hetrazan_Ethylaminoazine citrate_Nemacide_Difil_Filarabits_Decacide_Dirocide_NSC-80513_Diethylcarbamazine citrate_Loxuran_Banocide_,,,,,,,,
CHEMBL938,,1,-2.3,2,-5.57,-4.63,3.8,11.47,912.06,12,23,13,14,65,ZWITTERION,912.06,911.4977,3,3,355.05,0.03,N,25,FALSE,TRUE,FALSE,0,FALSE,0,CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C,1-sar-8-ala-angiotensin ii_Sar-arg-val-tyr-val-his-pro-ala_Saralasin_,,,,,,,,
CHEMBL163,J05AE03_,1,5.91,4,5.22,5.22,13.68,2.84,720.96,9,11,4,4,50,NEUTRAL,720.96,720.3128,3,2,145.78,0.11,N,17,TRUE,FALSE,FALSE,0,FALSE,1,CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,Viriton_ABBOTT-84538_Ritovir_NSC-693184_Norvir_Ritonavir_Ritonavir related compounds mixture_A-84538_Ritomune_Ritonavirum_Viekirax_Empetus_ABT-538_,,,,,,,,
CHEMBL939,L01EB01_,2,4.28,3,3.64,3.75,None,6.85,446.91,7,7,1,1,31,NEUTRAL,446.91,446.1521,0,0,68.74,0.52,N,8,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,ZD1839_Iressa_NSC-759856_ZD-1839_Gefitinib_,,,,,,,,
CHEMBL55400,,2,2.55,3,0.94,1.85,None,8.32,209.25,3,3,2,4,16,NEUTRAL,209.25,209.0953,0,0,64.93,0.44,N,0,FALSE,FALSE,FALSE,0,FALSE,0,Nc1ccc2cc3ccc(N)cc3nc2c1,Proflavine_,,,,,,,,
CHEMBL940,N03AX12_,2,1.37,0,-1.27,-1.27,4.63,9.91,171.24,2,3,2,3,12,ZWITTERION,171.24,171.1259,0,0,63.32,0.67,N,3,TRUE,FALSE,FALSE,0,FALSE,0,NCC1(CC(=O)O)CCCCC1,GOE 3450_Gralise_NSC-742194_NSC-759254_CI-945_GOE-3450_Gabapentin_Neurontin_DM-1796_,,,,,,,,
CHEMBL301267,P01BE04_,1,3.23,0,3.84,3.84,None,None,312.41,5,5,0,0,22,NEUTRAL,312.41,312.1937,0,0,46.15,0.73,N,2,FALSE,TRUE,FALSE,1,FALSE,0,CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3,Artemotilum_NSC-665971_Arteether_.beta.-arteether_Artemotil_,,,,,,,,
CHEMBL58323,N03AX18_,1,0.45,1,-0.02,-0.02,12.46,None,250.3,3,5,2,2,18,NEUTRAL,250.3,250.1317,0,0,67.43,0.77,N,6,TRUE,TRUE,FALSE,0,FALSE,0,COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,(r)-lacosamide 1_Erlosamide_SPM-927_Lacosamide cv_ADD-243037_SPM 927_Lacosamide_Vimpat_ADD 243037_,,,,,,,,
CHEMBL941,L01EA01_,2,4.59,4,3.8,4.38,12.69,7.84,493.62,7,8,2,2,37,NEUTRAL,493.62,493.259,0,0,86.28,0.39,N,7,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,NSC-759854_Imatinib_STI-571_Glamox_Gleevec_NSC-743414_,,,,,,,,
CHEMBL56564,A04AA03_,1,2.95,2,0.7,2.63,12.18,9.34,284.36,3,4,1,1,21,BASE,284.36,284.1525,0,0,45.33,0.86,Y,2,FALSE,FALSE,FALSE,0,FALSE,0,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2,Tropisetron hydrochloride_Novaban_ICS-205-930_Tropisetron hcl_Tropisetron (as hydrochloride)_Navoban_SDZ-ICS-930_NSC-759842_Tropisetron monohydrochloride_Tropisetron_,,,,,,,,
CHEMBL301265,N04BC05_,1,1.58,1,-0.98,1.76,None,10.31,211.33,4,3,2,3,14,BASE,211.33,211.1143,0,0,50.94,0.8,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CCCN[C@H]1CCc2nc(N)sc2C1,U-98528E_Mirapexin_SUD919CL2Y_Pramipexole_Pipexus_NSC-760426_Oprymea_Neliprax_SUD-919CL2Y_,,,,,,,,
CHEMBL942,A06AB02_A06AG02_A06AB52_,2,4.11,3,3.61,3.61,None,4.08,361.4,5,5,0,0,27,NEUTRAL,361.4,361.1314,0,0,65.49,0.51,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,Correctol tablets, caplets_Entrolax_NSC-755914_Sk-bisacodyl_Theralax_Feen-a-mint tablets_Biolax_Bisacodyl_Modane_Dulcodos_Dulcolax_Evac-q-tabs_,,,,,,,
CHEMBL944,,2,2.42,1,0.92,2.48,None,8.96,307.22,4,4,1,2,18,BASE,270.76,270.1135,0,0,55.56,0.64,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCN(CC)CCOC(=O)c1ccc(N)cc1Cl.Cl,Clorotekal_Chloroprocaine hcl_Nesacaine_Chloroprocaine hydrochloride_Chlorprocaine chloride_Ampres_Chloroprocaine HCl_Nesacaine-mpf_,,,,,,,,
CHEMBL945,C03DB01_,2,-1.08,1,-0.77,-0.5,11.43,7.35,229.63,6,8,5,8,15,NEUTRAL,229.63,229.0479,1,0,156.79,0.3,N,1,TRUE,FALSE,FALSE,0,FALSE,1,N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,Amiloride_Midamor_Amiclaran_Hydro-Ride_,,,,,,,,
CHEMBL946,R06AX09_,2,3.71,2,3.12,3.75,None,7.91,290.41,2,2,0,0,22,NEUTRAL,290.41,290.1783,0,0,16.13,0.74,N,0,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1,Azatadine_Optimine_Trinalin_,,,,,,,,
CHEMBL58510,,0,4.81,2,0.88,3.93,None,10.32,515.87,3,3,1,1,22,BASE,319.88,319.1815,0,0,28.16,0.76,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,Arechin_SN-7618_Resochin_Chloroquine Diphosphate_Malarivon_NSC-14050_WR-1522_Aralen_Chloroquine Phosphate_Malaquin_Chloroquine phosphate_Chloroquini phosphas_Chloroquine diphosphate_Avloclor_,,,,,,,,
CHEMBL294199,N01BX04_M02AB01_,2,3.79,1,3.75,3.75,9.93,None,305.42,3,4,2,2,22,NEUTRAL,305.42,305.1991,0,0,58.56,0.54,N,9,FALSE,FALSE,TRUE,0,FALSE,0,COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O,NGX-1998_NSC-56353_Zacin_Ausanil_Cntx-4975_Qutenza_ALGRX-4975_Trans-capsaicin_ALGRX 4975_Zostrix hp_Capzasin-hp_Dolenon_FEMA NO. 3404_Ngx-1998_Togarashi orenji_Capsaicin_Zostrix_Mioton_Axsain_Ovocap_NGX-4010_Ratden pe 40_,,,,,,,,
CHEMBL953,N04BX02_,2,1.78,1,0.38,1.63,6.09,None,305.29,6,8,2,2,22,ACID,305.29,305.1012,0,0,127.7,0.28,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,Entacapone orion_Comtan_Entacapone teva_Comtess_OR-611_Entacapone_,,,,,,,,
CHEMBL61593,C03AA09_,0,1.23,1,0.94,0.94,9.06,None,389.89,5,7,3,4,24,NEUTRAL,389.89,389.0271,0,0,118.36,0.66,N,2,TRUE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O,NSC-758431_Cyclothiazide_35483_Fluidil_Anhydron_,,,,,,,,
CHEMBL954,,2,6.56,3,4.57,6.47,None,9.31,405.97,2,2,0,0,29,BASE,405.97,405.1859,1,1,12.47,0.37,N,9,FALSE,FALSE,FALSE,1,FALSE,0,CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,Milophene_Clomiphene trans-form_Isomer B_ISOMER-B_RMI 16,289_ISOMER B_RMI-16289_ICI-46476_Rmi-16,289_Enclomiphene_Serophene_Enclomifene_Cisclomiphene_,,,,,,
CHEMBL956,M01AE07_,0,3.17,2,0.37,3.53,4.01,None,260.31,3,3,1,1,18,ACID,260.31,260.0507,0,0,54.37,0.86,N,4,FALSE,FALSE,TRUE,0,TRUE,0,CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1,Srendam_TN-762_Profenal_NSC-303611_R-25061_Topalgic_P-2-thenoylhydratropic acid_Racemic suprofen_Sulproltin_Suprofen_Sutoprofen_R-25,061_P-(2-thenoyl)hydratropic acid_,,,,,,,
CHEMBL957,C02KX01_,2,4.2,4,3.98,4.94,5.8,0.57,551.63,10,11,2,2,39,ACID,551.63,551.1839,2,1,145.65,0.29,N,10,TRUE,FALSE,FALSE,0,FALSE,1,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,RO 47-0203/029_Tracleer_Bosentan_Anhydrous bosentan_Bosentan hydrate_Bosentan anhydrous_RO-470203029_Bosentan monohydrate_RO-47-0203-029_,,,,,,,,
CHEMBL959,J05AC02_,0,2.55,0,-0.35,2.22,None,10.14,179.31,1,1,1,2,13,BASE,179.31,179.1674,0,0,26.02,0.66,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,CC(N)C12CC3CC(CC(C3)C1)C2,Rimantadine_Rimantadin_,,,,,,,,
CHEMBL960,L04AA13_,2,3.25,2,2.51,2.51,13.72,None,270.21,3,4,1,1,19,NEUTRAL,270.21,270.0616,0,0,55.13,0.91,N,2,TRUE,FALSE,FALSE,1,FALSE,1,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,Leflunomide ratiopharm_Leflunomide_Leflunomide medac_NSC-677411_Arava_SU101_HWA-486_Leflunomide winthrop_SU-101_SULOL_Leflunomide teva_NSC-759864_L04AA13_Repso_,,,,,,,,
CHEMBL62193,J01ED01_,2,0.88,2,0.78,1.26,6.91,1.99,310.34,7,8,2,3,21,NEUTRAL,310.34,310.0736,0,0,116.43,0.79,N,5,FALSE,FALSE,FALSE,0,TRUE,0,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,Sulphadimethoxine_NSC-757860_Madribon_Sulfadimethoxine_NSC-683544_,,,,,,,,
CHEMBL61780,,2,3.21,5,1.88,4.34,4.99,3.1,605.64,13,15,3,3,43,ACID,605.64,605.1805,2,2,200.11,0.19,N,12,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO,Veletri_ACT-050089_Tezosentan_Ro 61-0612_Ro-610612_,,,,,,,,
CHEMBL61006,R01BA01_R01BA51_,0,1.07,1,-1.05,0.89,13.9,9.37,151.21,2,2,2,3,11,BASE,151.21,151.0997,0,0,46.25,0.66,Y,2,TRUE,FALSE,FALSE,0,TRUE,0,CC(N)C(O)c1ccccc1,Norephedrine_Propadrine_NSC-9920_Phenylpropanolamine_Fansia_Rinexin_Phenylfenesin_,,,,,,,,
CHEMBL962,,1,3.41,0,-0.45,2.42,4.43,None,374.45,4,5,3,3,25,ACID,352.47,352.225,0,0,86.99,0.41,N,10,FALSE,TRUE,FALSE,0,FALSE,0,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)[O-])C[C@@H]21.[Na+],U-53,217A_Flolan_Prostacyclin sodium salt_Sodium prostacyclin_Veletri_Epoprostenolsodium_U-53217A_Epoprostenol sodium_,,,,,,,
CHEMBL963,N02AA11_,1,0.75,1,0.01,0.78,10.07,8.21,301.34,5,5,2,2,22,NEUTRAL,301.34,301.1314,0,0,70,0.74,N,0,TRUE,TRUE,TRUE,0,FALSE,1,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,NSC-19045_Dihydroxymorphinone_Oxycodone hydrochloride impurity, oxymorphone-_Oxymorphone cii_7,8-dihydro-14-hydroxymorphinone_Opana_Oxymorphone_Numorphan_14-hydroxydihydromorphinone_NIH 10323_IDS-NO-003_,,,,,,
CHEMBL964,P03AA04_P03AA54_N07BB01_,2,3.62,0,4.16,4.16,None,None,296.55,4,2,0,0,16,NA,296.55,296.0509,0,0,6.48,0.57,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CCN(CC)C(=S)SSC(=S)N(CC)CC,NSC-25953_Disulfiram_Esperal_Antabuse_ORA-102_ORA102_,,,,,,,,
CHEMBL292376,,1,4.63,2,2.74,4.85,None,9.54,303.83,2,2,1,1,21,BASE,303.83,303.139,0,0,21.26,0.75,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1,Tecalcet_,,,,,,,,
CHEMBL965,,2,-0.21,0,-4.55,-4.55,None,None,147.2,2,4,1,2,10,NEUTRAL,147.2,147.1128,0,0,52.32,0.56,Y,3,FALSE,TRUE,FALSE,0,FALSE,0,C[N+](C)(C)CCOC(N)=O,Carbastat_Miostat_Carbachol_,,,,,,,,
CHEMBL967,N05CD07_,0,2.47,2,2.79,2.79,10.68,None,300.75,3,4,1,1,21,NEUTRAL,300.75,300.0666,0,0,52.9,0.88,N,1,TRUE,FALSE,FALSE,0,FALSE,1,CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,NSC-246303_Normison_Temaz_Temazepam civ_WY-3917_(rs)-temazepam_Kentepam_Temazepam_Restoril_,,,,,,,,
CHEMBL968,N05CD01_,2,4,2,2.62,3.95,None,8.71,387.89,3,4,0,0,27,BASE,387.89,387.1514,0,0,35.91,0.75,N,6,TRUE,FALSE,FALSE,0,FALSE,1,CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21,Dalmane_Insumin_Flurazepam_,,,,,,,,
CHEMBL969,N05BA11_,2,3.93,2,3.86,3.86,None,3.06,324.81,2,3,0,0,23,NEUTRAL,324.81,324.1029,0,0,32.67,0.84,N,3,TRUE,FALSE,FALSE,0,FALSE,0,O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1,NSC-277179_Centrax_W 4020_Demetrin_Prazepam civ_Prazepam_W-4020_,,,,,,,,
CHEMBL970,N05BA13_,2,4.09,2,4.03,4.03,None,2.33,352.74,2,3,0,0,24,NEUTRAL,352.74,352.059,0,0,32.67,0.8,N,2,TRUE,FALSE,FALSE,0,FALSE,0,O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F,SCH-12041_SCH 12041_Halazepam_Paxipam_Halazepam civ_,,,,,,,,
CHEMBL971,,0,1.18,0,1.64,1.89,7.48,None,248.26,3,5,2,2,16,NEUTRAL,226.28,226.1317,0,0,75.27,0.71,N,4,TRUE,TRUE,TRUE,0,TRUE,0,CCCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+],Pentobarbitone sodium_Pacifan_Soluble pentobarbital_Biosedan_Sodium ethaminal_Pentonal_Euthanase_Narcoren_Mebumal sodium_Sopental_Mebubarbital sodium_Euthanyl_Vetbutal_Praecicalm_Pental_Nembutal_Auropan_V-pento_Sotyl_Sagatal_Somnopentyl_Sodium pentobarbiturate_Ethaminal sodium_Pentobarbital sodium salt_Embutal_NSC-10816_Rs-pentobarbital sodium_Sodium nembutal_Sodium pentobarbitone_Pentone_Sodium-pent_Pentobarbitone Sodium_Etaminal sodium_Nembutal sodium_Beuthanasia_Isobarb_Sodium pental_Pentobarbital sodium_Diabutal_Entobar_Napental_Somnotol_Barpental_Sodium pentobarbital_Euthatal_,,,,,,,,
CHEMBL972,N04BD01_,1,2.18,1,1.55,2.85,None,8.67,187.29,1,1,0,0,14,BASE,187.29,187.1361,0,0,3.24,0.65,N,4,TRUE,FALSE,TRUE,0,FALSE,1,C#CCN(C)[C@H](C)Cc1ccccc1,Emsam_Eldepryl_Zelapar_L-selegiline_Selegiline_,,,,,,,,
CHEMBL973,L04AA31_,2,3,1,0.23,2.14,5.48,None,270.21,3,4,2,2,19,ACID,270.21,270.0616,0,0,73.12,0.49,N,2,TRUE,FALSE,FALSE,0,FALSE,1,C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1,Leflunomide related compound b_Leflunomide related compound b rs_HMR1726_A77 1726_HMR-1726_Aubagio_Teriflunomide_,,,,,,,,
CHEMBL975,V03AF01_R05CB05_,2,-0.2,0,-2.78,-0.4,-1.16,None,164.18,3,3,2,1,7,ACID,142.2,141.9758,0,0,54.37,0.41,Y,2,TRUE,TRUE,FALSE,0,FALSE,0,O=S(=O)([O-])CCS.[Na+],D 7093_Mesnex_D-7093_Mistabron_Coenzyme m sodium salt_NSC-113891_Uromitexan_Mesna_,,,,,,,,
CHEMBL64391,J02AC02_,0,5.58,5,7.31,7.31,None,3.91,705.65,12,12,0,0,49,NEUTRAL,705.65,704.2393,3,3,104.7,0.17,N,11,TRUE,TRUE,FALSE,0,FALSE,1,CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O,Candistat_Sporanox i.v._Sporanox-pulse_Sporamelt_Orungal_Onmel_Traconal_NSC-759239_Sporanox_Sporanos_Spherazole ir_Itrazole_R-51211_Canditral_Sporonox_Fungitraxx_Itrac_Tolsura_Spherazole cr_Itralek_Itraconazole_R 51,211_Cladosal 100_Itrizole_Triasporin_Sempera_,,,,,,,
CHEMBL303960,,1,2.94,1,2.61,2.61,None,None,450.6,7,6,2,2,31,NEUTRAL,450.6,450.2076,0,0,93.06,0.27,N,13,FALSE,FALSE,FALSE,0,FALSE,0,COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)c1,ONO-4819_Rivenprost_(-)-ono-4819_,,,,,,,,
CHEMBL64894,,2,4.46,2,1.39,1.4,None,4.83,407.99,2,3,0,0,28,NEUTRAL,372.54,372.2434,0,0,9.49,0.73,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-],Crystal violet_Pyoktanin_C.i. basic violet 3_Methyl violet 10b_GNF-Pf-880_C.i. basic violet 1_Methylrosaniline Cl_Methylrosanilinium Cl_NSC-3090_Gentian violet_Basic violet 3_Viocid_C.i. 42535_Genapax_Methylrosaniline chloride_GV 11_Lowacryl violet 1_Basic violet 1_Methylrosanilinium chloride_Ci 42535_Methyl violet_Methylrosanilinii chloridum_,,,,,,,,
CHEMBL976,P02BA01_,0,2.53,1,2.3,2.3,None,None,312.41,2,4,0,0,23,NEUTRAL,312.41,312.1838,0,0,40.62,0.8,N,1,TRUE,FALSE,FALSE,0,FALSE,0,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,Praziquantel_NSC-757285_Cisticid_EMBAY 8440_Cestocur_Biltricide_EMBAY-8440_Cesol_Droncit_Praziquantelum_Cysticide_,,,,,,,,
CHEMBL977,,1,2.2,0,-1.78,1.54,3.66,None,462.54,7,8,3,3,33,ACID,462.54,462.2254,0,0,138.2,0.51,N,6,FALSE,TRUE,FALSE,1,FALSE,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,Hydrocortisone Hemisuccinate_NSC-757049_Hydrocortisone succinate_NSC-7576_,,,,,,,,
CHEMBL978,V04CX03_,0,0.64,0,-3.8,-3.8,None,None,160.24,2,3,0,0,11,NEUTRAL,160.24,160.1332,0,0,26.3,0.45,Y,3,FALSE,FALSE,TRUE,0,FALSE,1,CC(=O)OC(C)C[N+](C)(C)C,Provocholine_Methacholine cation_Methacholine ion_Methacholine_,,,,,,,,
CHEMBL435966,P01AB06_,2,0.12,1,-0.11,-0.09,None,6.05,226.24,6,7,0,0,16,NEUTRAL,226.24,226.1066,0,0,73.43,0.54,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=[N+]([O-])c1cncn1CCN1CCOCC1,Naxogin_Naxogin 500_Nimorazole_K-1900_NSC-107524_,,,,,,,,
CHEMBL979,N05BC01_N05BC51_N05CX01_,2,0.98,0,0.93,0.93,None,None,218.25,4,6,2,4,15,NEUTRAL,218.25,218.1267,0,0,104.64,0.69,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CCCC(C)(COC(N)=O)COC(N)=O,Amosene_Tranmep_Meprobamate civ_Tenavoid_NSC-30418_Meprobamate_Meprospan_Mepriam_Miltown_Bamate_Neuramate_Equanil_,,,,,,,,
CHEMBL64195,N03AX30_,2,1.93,1,1.69,1.69,None,None,197.66,1,2,1,1,13,NEUTRAL,197.66,197.0607,0,0,29.1,0.73,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=C(CCCl)NCc1ccccc1,Neuracen_Benzchlorpropamide_Nydrane_Benzylamide_Beclamide_NSC-67062_,,,,,,,,
CHEMBL980,R05CA03_,0,0.43,1,0.34,0.34,13.62,None,198.22,4,4,2,2,14,NEUTRAL,198.22,198.0892,0,0,58.92,0.72,N,5,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccccc1OCC(O)CO,Mucinex_NSC-62112_Franolyn chesty_Guaifensin_Liqufruta_Amonidron_Gecolate_Glycerol Guaiacolate_Guaiacol glyceryl ether_Guaifenesin_Hustosil_Methphenoxydiol_Nirolex for chesty cough decongestant_Guaiphenesin_Humabid_Tixylix chesty cough_Glyceryl guaiacolate_Robitussin_CVT-2534_Famel_,,,,,,,,
CHEMBL981,,2,3.81,2,0.9,4.36,3.1,None,318.76,3,4,1,1,22,ACID,318.76,318.0659,0,0,63.6,0.85,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O,NSC-281318_Lipofen_Fibricor_Fenogal_Lipanthyl_Fenofibrate free acid_Procetofenic acid_Supralip_LF-153_Lofibra_Fenofibrate related compound b_Trilipix_Fenofibric acid_Fenocor-67_,,,,,,,,
CHEMBL982,N07BB05_,1,2.51,1,0.07,1.95,10.35,9.57,339.44,4,4,2,2,25,BASE,339.44,339.1834,0,0,52.93,0.81,N,2,FALSE,TRUE,FALSE,0,FALSE,0,C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,ORF-1167_Nalmetrene_ORF-11676_Nalmefene hydrochloride hydrate_JF-1_ORF 1167_SRD174_JKB-121_Nalmefene_ORF 11676_Revex_SRD-174_Selincro_,,,,,,,,
CHEMBL983,,2,0.27,0,-8.39,-8.39,None,None,361.31,4,6,0,0,20,NEUTRAL,290.4,290.2195,0,0,52.6,0.45,N,9,FALSE,TRUE,FALSE,0,FALSE,1,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-],Succinylcholine chloride_Quelicin_Suxamethonium Chloride_Quelicin preservative free_Suxamethonium chloride_Suxamethonium chloride dihydrate_Anectine_Scoline_Choline chloride succinate (2:1)_Suxamethonium chloride hydrate_NSC-49132_Suxamethone_Sucostrin_Suxamethonii chloridum_,,,,,,,,
CHEMBL984,M03AC10_,0,None,None,None,None,None,None,1100.18,None,None,None,None,None,NA,1029.28,1028.5599,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2.[Cl-].[Cl-],BW-B109OU_BW-B109OU DICHLORIDE_BW-1090U DICHLORIDE_Mivacron_BW B109OU DICHLORIDE_Mivacurium chloride_mivacurium_BWB109OU_,,,,,,,,
CHEMBL65375,,1,1.11,1,-1.36,0.78,10.49,11.34,279.13,5,6,3,3,16,BASE,242.67,242.0571,0,0,93.33,0.72,N,2,TRUE,FALSE,FALSE,0,FALSE,0,Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl,TPI_TAS-1-462_Tipiracil hydrochloride_,,,,,,,,
CHEMBL291657,,1,7.52,3,8.88,8.88,None,2.52,483.05,4,3,0,0,33,NEUTRAL,483.05,482.1595,1,1,25.36,0.31,N,8,FALSE,FALSE,FALSE,0,FALSE,0,C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1,Nbi-74788_Ssr125543_Ssr 125543_Crinecerfont_Ssr-125543_,,,,,,,,
CHEMBL304902,N05AH06_,2,4.13,2,3.92,4.15,None,7.23,343.88,4,3,0,0,23,NEUTRAL,343.88,343.091,0,0,18.84,0.72,N,0,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1,Clotiapine_Clothiapine_Entumin_HF-2159_,,,,,,,,
CHEMBL68055,,1,6.03,3,4.43,4.91,8.39,8.87,457.57,5,5,2,2,34,BASE,457.57,457.2253,1,1,62.16,0.47,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21,SCH-57068_Em-652_SCH57068_Acolbifene_,,,,,,,,
CHEMBL305187,C04AX28_,0,3.77,2,2.3,3.57,9.67,9.03,325.45,3,3,2,2,24,BASE,325.45,325.2042,0,0,43.7,0.88,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,RC 61-91_RC-61-91_Vadilex_Ifenprodil_NP-120_Ifenprodil tartrate_Ifenprodil hemitartrate_,,,,,,,,
CHEMBL65794,J01DE02_,1,-1.04,2,-3.65,-4.02,2.67,3.54,514.59,10,11,2,3,35,ACID,514.59,514.1093,2,1,153.92,0.21,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1,HR-810 FREE BASE_Cefir_Cefpirome_,,,,,,,,
CHEMBL989,S01BA15_S02BA08_D07AC04_C05AA10_,1,2.37,0,1.6,1.6,13.38,None,452.49,6,6,2,2,32,NEUTRAL,452.49,452.201,0,0,93.06,0.67,N,2,FALSE,TRUE,TRUE,0,FALSE,0,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,NSC-92339_Fluocinolone_Synalar fte_Synandone_Fluocinolone acetonide_Synalar_Fluotrex_Synalar-hp_Synalar-n_Iluvien_Dermotic_Derma-smoothe/fs_Capex_Retisert_Flucinolone acetonide_Fluonid_Synalar-c_Oto-synalar_Fluocinolide (acetate)_Yutiq_Fluocet_Fs shampoo_,,,,,,,,
CHEMBL990,D01AE23_,2,5.77,3,4.51,6.17,None,9.06,317.48,1,1,0,0,24,BASE,317.48,317.2143,1,1,3.24,0.59,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,Butenafine_Mentax_Mentax-TC_,,,,,,,,
CHEMBL70246,,2,-1.48,2,-4.5,-1.07,3.26,None,238.2,7,8,1,1,17,ACID,238.2,238.0702,0,0,99.12,0.69,N,2,FALSE,FALSE,FALSE,0,FALSE,0,Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O,Acephylline_Caffeine carboxylic acid_Doxophylline metabolite m2_NSC-52996_,,,,,,,,
CHEMBL991,J05AF04_,1,-0.71,1,-0.23,-0.23,9.95,None,224.22,5,6,2,2,16,NEUTRAL,224.22,224.0797,0,0,84.32,0.65,N,2,TRUE,FALSE,FALSE,1,FALSE,1,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O,D-4T_NSC-759897_D4T_NSC-163661_Sanilvudine_Zerit xr_Stavudine_d4T_Stavudinum_Zerit_Stavudine (d4t)_BMY-27857_Stavudine (dt4)_,,,,,,,,
CHEMBL995,,2,4.27,4,2.82,4.06,4.26,3.82,461.01,6,7,2,2,30,ACID,422.92,422.1622,0,0,92.51,0.44,N,8,TRUE,FALSE,FALSE,0,FALSE,1,CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[K+],L-158086_DU PONT-753_Losartan monopotassium salt_Losacar_Nu-lotan_Presartan-50_Tancin_Losaprex_Cozaar_Losartan potassium_E-3340_DUP 753_Losata_MK-0954_MK0954_Aradois_Zaart_DUP-753_Hyzaar_,,,,,,,,
CHEMBL996,J01DC01_,1,0.1,1,-3.12,0.29,3.39,None,427.46,8,10,3,4,28,ACID,427.46,427.0508,0,0,148.26,0.41,N,7,FALSE,TRUE,FALSE,0,FALSE,1,CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21,Mefoxitin_Cefoxitin_J01DC01_Mefoxin_Cenomycin_,,,,,,,,
CHEMBL997,M05BA06_,2,0.5,0,-4.86,-2.48,0.66,9.93,319.23,4,8,5,5,19,ZWITTERION,319.23,319.095,0,0,138.53,0.31,N,9,TRUE,TRUE,FALSE,0,FALSE,0,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,Quodixor_Boniva_Bonviva_Bondronat_Ibandronic acid accord_Ibandronic acid_Ibandronic acid sandoz_Iasibon_Ibandronic acid teva_Ibandronate_NSC-722623_Bondenza_Ibandronic Acid_,,,,,,,,
CHEMBL998,R06AX13_,2,4.89,2,4.55,4.55,None,4.33,382.89,3,4,0,0,27,NEUTRAL,382.89,382.1448,0,0,42.43,0.7,N,1,TRUE,FALSE,FALSE,1,FALSE,0,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,SCH-29851_Clarityn_Clarityn rapide_Children's claritin_SCH 29851_Claritin-D_Alavert_Claritin_Claritin reditabs_NSC-758628_Claritin hives relief_Loratadine redidose_Clarityne_Claritin hives relief reditab_Roletra_Hay-rite_BAY76-2211_Loratadine_,,,,,,,,
CHEMBL71752,N06BX18_,1,4.15,2,3.95,4.07,None,6.88,350.46,4,4,0,0,26,NEUTRAL,350.46,350.1994,0,0,34.47,0.78,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,Ultra-vinca_Vinpocetine_Vinporal_AY-27,255_Apovincaminic acid ethyl ester_AY-27255_NSC-760093_Ceractin_Tcv 3b_Bravinton_Rgh 4405_Cavinton_Ethyl apovincamin-22-oate_,,,,,,,
CHEMBL1000,R06AE07_,0,3.15,2,0.65,0.87,3.59,7.42,388.9,4,5,1,1,27,ACID,388.9,388.1554,0,0,53.01,0.7,N,8,TRUE,FALSE,FALSE,0,FALSE,0,O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,Cetirizine_AC-170_Cetiderm_,,,,,,,,
CHEMBL70418,N05BA09_,2,3.37,2,0.97,2.55,5.82,None,300.75,2,4,0,0,21,ACID,300.75,300.0666,0,0,40.62,0.76,N,1,TRUE,FALSE,FALSE,0,FALSE,1,CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21,LM-2717_Sympazan_Mystan_Urbadan_Tapclob_NSC-336279_Clobazam_H-4723_H 4723_Colbazam_Urbanyl_Frisium_LM 2717_HR 376_Onfi_HR-376_Perizam_,,,,,,,,
CHEMBL1002,,1,1.31,1,-1.32,0.34,10.12,9.4,239.31,4,4,4,4,17,BASE,239.31,239.1521,0,0,72.72,0.64,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1,R-salbutamol_Levalbuterol_Xopenex_Albuterol (r)-form_ASF-1096_Levosalbutamol_,,,,,,,,
CHEMBL1003,,1,-1.1,0,-4.94,-1.52,3.32,None,237.25,4,6,2,2,14,ACID,199.16,199.0481,0,0,87.07,0.55,N,2,TRUE,TRUE,FALSE,0,FALSE,0,O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[K+],BRL-14151K_Clavulanate potassium_BRL 14151K_Potassium clavulanate_,,,,,,,,
CHEMBL1004,R06AA59_R06AA09_,0,2.92,2,1.48,2.96,None,8.87,270.38,3,3,0,0,20,BASE,270.38,270.1732,0,0,25.36,0.81,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCOC(C)(c1ccccc1)c1ccccn1,Doxylamine_Unisom_Doxy-Sleep-Aid_Decapryn_,,,,,,,,
CHEMBL1005,N01AH06_,2,2,1,1.16,1.52,None,7.51,376.45,6,7,0,0,27,NEUTRAL,376.45,376.1998,0,0,76.15,0.68,N,7,FALSE,TRUE,FALSE,0,FALSE,1,CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1,Remifentanil_Remifentanyl_GI 87084X_Ultiva_Ultiva-_IDS-NR-005_Ramifentanyl_,,,,,,,,
CHEMBL70927,V03AC02_,2,0.4,1,0.61,0.61,11.82,None,139.15,3,3,1,1,10,NEUTRAL,139.15,139.0633,0,0,42.23,0.56,Y,0,TRUE,FALSE,FALSE,0,FALSE,1,Cc1c(O)c(=O)ccn1C,L1_APO-066_Ferriprox_L-1_PL1_DN-180-01-AF_NSC-758880_Deferipron_Deferiprone_DN-18001AF_PL-1_CP20_APO-66_CP-20_,,,,,,,,
CHEMBL302795,M01AC02_,2,1.64,2,-1.91,-0.12,2.21,4.26,337.38,6,7,2,2,22,ACID,337.38,337.0191,0,0,99.6,0.87,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,Tilcotil_RO 12-0068_RO-120068000_Tenoxicam_RO 12-0068/000_NSC-758397_Mobiflex_,,,,,,,,
CHEMBL73451,R06AD07_,0,4.63,2,2.96,4.19,None,8.61,322.48,3,2,0,0,23,BASE,322.48,322.1504,0,0,6.48,0.8,N,2,FALSE,FALSE,FALSE,0,FALSE,0,c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2,NSC-303612_Mequitazine_Kitazemin_Primalan_,,,,,,,,
CHEMBL1006,V03AF05_,2,-0.25,0,-3.76,-3.75,2.06,10.71,214.23,4,5,4,5,12,ZWITTERION,214.23,214.0541,0,0,95.58,0.34,N,7,FALSE,TRUE,FALSE,1,FALSE,0,NCCCNCCSP(=O)(O)O,WR-2721 TRIHYDRATE_Amifostine trihydrate_Amifostine_Ethiofos anhydrous_Ethiofos_NSC-296961_Ethyol_WR-2721_YM-08310_Amifostine anhydrous_NSC-758236_Amifostine disulfide_Gammaphos_,,,,,,,,
CHEMBL1007,H01CA01_V04CM01_,1,None,None,None,None,None,None,1182.31,None,None,None,None,None,NA,1182.31,1181.573,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,Human gonadoliberin-i_Gonadorelin decapeptide_Relefact lh-rh_Fertiral lh-rh_Gonadotropin-releasing hormone_Gonadorelin_,,,,,,,,
CHEMBL1008,C08EA02_,0,4.83,2,3.73,5.49,None,9.16,366.55,3,3,0,0,27,BASE,366.55,366.2671,0,0,15.71,0.6,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1,Bepadin_Vascor_Bepridil_,,,,,,,,
CHEMBL1009,N04BA01_,1,0.05,1,-1.8,-1.79,1.65,9.06,197.19,4,5,4,5,14,ZWITTERION,197.19,197.0688,0,0,103.78,0.51,N,3,TRUE,FALSE,FALSE,0,FALSE,0,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,V-1512_Levodopa_NSC-118381_Bendopa_Brocadopa_Inbrija_Levodopum_Dopar_Larodopa_Cvt-301_,,,,,,,,
CHEMBL1010,,1,-0.62,1,-4.2,-1.49,2.73,3.58,477.46,11,12,3,4,30,ACID,455.47,455.0569,1,1,173.51,0.21,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+],NSC-756666_RU-24756_Cefotaxime_Cefotaxime sodium_HR 756_RU 24756_HR-756_Pretor_Sodium cefotaxime_Cefotaxime sodium salt_Cefcil_Claforan_,,,,,,,,
CHEMBL308954,J05AG04_,2,4.72,3,5.54,5.54,10.99,3.49,435.29,7,7,2,3,28,NEUTRAL,435.29,434.0491,0,0,120.64,0.61,N,4,TRUE,FALSE,FALSE,0,FALSE,0,Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br,TMC125_TMC 125_TMC-125_R165335_Etravirine_R-165335_Intelence_,,,,,,,,
CHEMBL305906,D09AA07_B05CA01_D08AJ03_R02AA06_,2,6.46,1,3.47,3.47,None,None,304.54,0,1,0,0,22,NEUTRAL,304.54,304.2999,1,1,3.88,0.26,N,15,FALSE,FALSE,FALSE,0,FALSE,0,CCCCCCCCCCCCCCCC[n+]1ccccc1,Cetylpyridinium_,,,,,,,,
CHEMBL306700,N06AX09_,0,1.45,1,0.63,1.49,None,8.19,237.3,4,4,1,1,17,NEUTRAL,237.3,237.1365,0,0,39.72,0.84,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CCOc1ccccc1OCC1CNCCO1,Viloxazine_Viloxazin_,,,,,,,,
CHEMBL1013,,1,0.71,1,-2.76,-2.4,2.93,7.23,349.77,4,7,3,4,24,ACID,349.77,349.0829,0,0,112.73,0.69,N,4,TRUE,FALSE,FALSE,0,FALSE,0,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1,LY-163892_Loracarbef hydrate_Loracarbef_Lorabid_,,,,,,,,
CHEMBL74632,J01DD06_,0,-1.13,2,-6.72,0.17,2.81,None,520.48,12,15,4,4,36,ACID,520.48,520.1012,2,2,206.3,0.13,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CO[C@@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21,Moxalactam_Moxam_Latamoxef_,,,,,,,,
CHEMBL312448,S01GA53_R01AA07_R01AB06_S01GA03_,2,3.15,1,1.49,3.78,None,10.29,244.38,2,2,1,1,18,BASE,244.38,244.1939,0,0,24.39,0.85,N,2,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1,Balminil_Xylometazoline_,,,,,,,,
CHEMBL1014,C09CA06_,0,6.32,5,6.9,8.17,5.85,1.45,610.67,11,12,1,1,45,ACID,610.67,610.254,3,3,143.34,0.14,N,10,TRUE,FALSE,FALSE,1,FALSE,1,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,Candesartan 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester_Atacand_Amias_TCV-116_Ratacand_NSC-758697_Candesartan_Candesartan cilexetil_,,,,,,,,
CHEMBL1017,C09CA07_,2,7.26,6,4.86,6.13,3.62,5.86,514.63,5,6,1,1,39,ACID,514.63,514.2369,2,2,72.94,0.24,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,BIBR-277SE_BIBR-277-SE_C09CA07_Semintra_Micardis_BIBR-277 SE_BIBR 277 SE_BIBR-277_Telmisartan actavis_Tolura_Kinzalmono_Telmisartan teva_Pritor_Telmisartan_,,,,,,,,
CHEMBL1018,G03CB01_G03CC02_,2,4.6,2,4.82,4.83,9.1,None,266.34,2,2,2,2,20,NEUTRAL,266.34,266.1307,0,0,40.46,0.8,N,3,FALSE,FALSE,TRUE,0,FALSE,0,C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1,Oestrasid_Restrol_Follidiene_Dienestrol diacetate, .alpha.-_Dienol_Estragard_Dienestrol trans-form_Dinovex_Cycladiene_Retalon_Oestrodiene_.alpha.-dienestrol diacetate_Hormofemin_Dienoestrol_Estraguard_NSC-59809_Oestroral_Dehydrostilbestrol_Gynefollin_Dienestrol, .alpha.-_Estroral_Dienestrol_,,,,,,
CHEMBL75435,M01AE17_M02AA27_,1,3.11,2,0.39,3.61,3.88,None,254.29,2,3,1,1,19,ACID,254.29,254.0943,0,0,54.37,0.85,N,4,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1,Ketoprofen, (s)-_(s)-ketoprofen_Arveles_Dexketoprofen_Keral_,,,,,,,
CHEMBL1020,M02AA21_M01AB03_,2,2.19,2,-0.47,2.73,3.93,None,257.29,3,4,1,1,19,ACID,257.29,257.1052,0,0,59.3,0.85,N,4,TRUE,FALSE,FALSE,0,FALSE,1,Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1,Tolmetin_Tolectin_MCN-2559_,,,,,,,,
CHEMBL1021,S01BC10_,2,1.53,2,2.08,2.08,None,1.83,254.29,3,4,2,4,19,NEUTRAL,254.29,254.1055,0,0,86.18,0.64,N,4,FALSE,FALSE,TRUE,1,FALSE,0,NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,AHR-9434_Nepafenac_Nevanac_Ilevro_AL-6515_,,,,,,,,
CHEMBL75880,C08EX02_,0,5.3,0,2.62,5.53,None,10.58,277.5,1,1,1,1,20,BASE,277.5,277.277,1,1,12.03,0.74,N,4,FALSE,FALSE,FALSE,0,TRUE,0,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,Perhexiline_,,,,,,,,
CHEMBL1023,L01XF03_,2,6.1,2,3.82,6.94,4.07,None,348.49,1,2,1,1,26,ACID,348.49,348.2089,1,1,37.3,0.73,N,3,TRUE,FALSE,TRUE,0,FALSE,1,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,LG100069_LG-100069_Targretine_Bexarotene_LGD-1069_Targretin_NSC-747528_LGD1069_,,,,,,,,
CHEMBL1024,L01AA06_,0,1.88,0,0.1,0.1,None,0.02,261.09,2,4,1,1,14,NEUTRAL,261.09,260.0248,0,0,41.57,0.61,N,5,FALSE,TRUE,FALSE,1,FALSE,1,O=P1(NCCCl)OCCCN1CCCl,Isophosphamide_Mitoxana_MJF-9325_Z4942_Ifosfamide_Ifsofamide_NSC-109724_MJF 9325_Z-4942_Ifex_,,,,,,,,
CHEMBL1025,S01EB07_,2,2.91,0,1.76,1.76,None,None,184.15,3,3,0,0,11,NA,184.15,184.0665,0,0,35.53,0.63,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)OP(=O)(F)OC(C)C,Fluostigmine_Isoflurophate_Floropryl_NSC-727370_Dyflos_,,,,,,,,
CHEMBL75133,,1,5.9,1,3.58,6.31,4.6,None,352.52,1,2,1,1,26,ACID,352.52,352.2402,1,1,37.3,0.54,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CC(/C=C/[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O,KB-145960_NRX-194204_AGN194204_VTP-194204_Irx-4204_NRX194204_AGN-194204_,,,,,,,,
CHEMBL307145,,2,0.8,1,1.05,1.06,8.94,None,126.11,3,3,3,3,9,NEUTRAL,126.11,126.0317,0,0,60.69,0.45,N,0,FALSE,FALSE,FALSE,0,FALSE,0,Oc1cccc(O)c1O,Pyrogallol_Pyrogallic acid_NSC-5035_,,,,,,,,
CHEMBL74355,,1,3.83,2,2.23,3.59,13.95,8.75,373.47,4,4,1,1,27,BASE,373.47,373.2053,0,0,41.93,0.8,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,M-100907_MDL100.907_Mdl-100907_MDL-100.907_Volinanserin_M100907_MDL-100907_,,,,,,,,
CHEMBL1026,,0,2.73,2,1.26,1.92,8.12,10.4,401.87,4,4,4,4,21,BASE,305.76,305.0819,0,0,72.72,0.61,N,1,FALSE,TRUE,FALSE,0,FALSE,0,CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,SK&F-82526J_Fendolopam mesylate_NSC-759860_Corlopam_Fenoldopam mesilate_Fenoldopam methanesulfonate_SK-82526-J_Fenoldopam mesylate_SK&F 82526-J_,,,,,,,,
CHEMBL1027,N03AG06_,1,5.04,2,2.6,2.6,4.14,9.26,375.56,4,3,1,1,25,ZWITTERION,375.56,375.1327,1,1,40.54,0.77,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C,ABT-569 FREE BASE_NNC-050328 FREE BASE_ABBOTT-70569 FREE BASE_NNC-05-0328_ABBOTT-70569-1_NO-050328 FREE BASE_ABBOTT-705691 FREE BASE_Tiagabine_ABT-569_A-70569-1_Gabitril_ABBOTT-70569_NO-05-0328_,,,,,,,,
CHEMBL76370,A06AX06_,2,2.81,2,1.84,2.95,None,8.5,301.39,3,6,4,4,22,BASE,301.39,301.1903,0,0,85.29,0.27,N,7,TRUE,FALSE,FALSE,0,TRUE,0,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,SDZ-HTF-919_HTF 919_Zelmac_Tegaserod_,,,,,,,,
CHEMBL431770,N04CX01_,2,2.12,3,2.42,2.42,None,None,384.44,8,8,0,0,28,NEUTRAL,384.44,384.1798,0,0,80.28,0.65,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O,Nourianz_KW-6002_Istradefylline_Nouriast_,,,,,,,,
CHEMBL75753,C01CX07_,0,-0.24,1,-1.97,-0.82,9.95,8.76,339.39,6,8,4,4,24,BASE,339.39,339.1794,0,0,103.29,0.49,N,8,FALSE,FALSE,FALSE,0,FALSE,0,O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1,ICI-118587_Xamoterol_ICI-118,587_,,,,,,,
CHEMBL1029,A16AX06_,1,-1.45,0,-2.3,-1.18,12.9,8.49,219.28,5,5,4,4,15,NEUTRAL,219.28,219.1471,0,0,84.16,0.46,N,4,TRUE,FALSE,FALSE,1,FALSE,0,CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,OGT 918_OGT-918_Zavesca_Miglustat_Butyldeoxynojirimycin_N-butyldeoxynojirimycin_,,,,,,,,
CHEMBL77622,C01CA14_,2,3.62,2,-0.96,2.98,10.71,10.14,356.51,4,4,4,4,26,BASE,356.51,356.2464,0,0,64.52,0.33,N,13,FALSE,FALSE,FALSE,0,FALSE,0,Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O,FPL 60278_FPL-60278_Dopexamine_,,,,,,,,
CHEMBL1034,,2,4.36,2,1.1,4.26,4,None,318.14,2,3,2,2,19,ACID,296.15,295.0167,0,0,49.33,0.88,N,4,TRUE,TRUE,TRUE,0,FALSE,1,O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],Diclofenac diethylammonium salt_Voltarene emulgel_Neriodin_Difenor xl_NSC-756725_Masidemen_Lofensaid 50_Voltarol emulgel_Voltarol ophtha_Abitren_Xenid_Deflamat_Valenac_Acoflam ret_Effekton_Diclofenac diethylammonium_Flamatak mr_Diclovol_Dexomon sr_Diclotard 100 mr_Voltarene l.p._Lofensaid ret 75_Slofenac_Voltarol 12 hour emulgel p_Diclofenac sodium salt_Enstar xl_Rhumalgan sr_Valdic 100 ret_Pennsaid_Ecofenac_Rhumalgan xl_Digenac xl 100_Voldal_Defanac retard_Defanac sr_Flamrase sr_Econac sr_Duravolten_Voltarol sr_Volsaid ret 100_Lofensaid 25_Voltaren ret_Sodium diclofenac_Volraman_GP 45840_Econac xl_Dexomon ret_Voltarol active_Dicloflex ret_Diclovol sr_Rhumalgan_Fenactol_Mobigel paineze_Diclotard 75 mr_Dicloflex sr_Dealgic_Rhumalgan cr 75_Motifene_Diclozip 25_Arthrotec 75_Voltarol pain-eze emulgel_Diclozip 50_Valdic 75 ret_Voltarol_Primofenac_Voltaren_Diclomax_Rewodina_Volsaid ret 75_Dyloject_Misofen_Delphinac_Flexotard mr_GP-45840_Rhumalgan cr 100_Solaraze_Enzed_Voltaren-xr_Acoflam_Rheumatac ret 75_Diclofenac sod_Diclomax sr_Mobigel_Diclophlogont_Defanac_Flamrase_Arthronac_Diclofenac diethylamine salt_Voltarol gel patch_Diclofenac diethylamine_Fenactol ret_Dicloflex_Enstar sr_Closteril 100_Voltarene_Voltarol emulgel p_Lexobene_Prophenatin_Voltarene ret_Diclophenac sodium_Acoflam sr_Dicloreum_Econac_Benfofen_Arthrotec 50_Lofensaid ret 100_Isclofen_Novapirina_Voltaren arthritis pain_Diclofenac sodium_Diclovol ret_Fenactol sr_Voltaren emulgel_Diclomax ret_Voltarol ret_,,,,,,,,
CHEMBL1037,,0,0.55,0,-1.74,0.68,None,12.02,213.28,3,5,3,4,15,BASE,213.28,213.1477,0,0,80.36,0.46,N,2,TRUE,FALSE,FALSE,0,FALSE,0,N=C(N)NCC1COC2(CCCCC2)O1,Guanadrel_Hylorel_,,,,,,,,
CHEMBL1040,,1,6.73,0,5.65,5.65,None,None,400.65,2,2,2,2,29,NEUTRAL,400.65,400.3341,1,1,40.46,0.52,N,6,TRUE,FALSE,FALSE,0,FALSE,0,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O,Calcifediol_,,,,,,,,
CHEMBL1042,A11CC05_,1,7.62,0,7.13,7.13,None,None,384.65,1,1,1,1,28,NEUTRAL,384.65,384.3392,1,1,20.23,0.5,N,6,TRUE,TRUE,FALSE,0,FALSE,0,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C,Stexerol-d3_Vigantol_Vitamin D 3_Ricketon_Cubicole d3_Vigantoletten_Pro d3 forte_Deparal_Fultium daily d3_Sunvit-d3 2,000_Vita-d3_Vitamin d_Provitina_Calfovit d3_Accrete d3_Vitamin d (cholecalciferol)_Synervit-d3_Nphd3_Sunvit-d3 800_Adcal-d3_Stivit-d3_Neo-d_Royalvit d3_Colekal-d3_Kora liquid_Colecal d3_Colecalciferolum_Ebivit_Cacit d3_Colecalciferol_Sunvit-d3 50,000_Vitamin d-3_Dekristol_NSC-375571_Calcichew d3 once daily_Nature's remedy vitamin d3_Delta-d_Sunvit-d3 10,000_Cholecalciferol_Caldrink d3_E-d3_D-max_Vitamin d assay system suitability_Delsterol_Iso d3_Plenachol_D3 lemon melts_D-vit3_Calcichew d3_Fultium-d3_Hux d3_Calci-d_AK R215 COMPONENT COLECALCIFEROL_Vit d3 streuli_Bio-vitamin d3_Sunvit-d3 1,000_Osteocaps d3_Calcichew d3 fte_Calceos_Thorens_Theical d-3_Vitamin d3 (as cholecalciferol)_Pro d3_Vitamin d3_Natecal d3_Aviticol_D-tracetten_Invita d3_Pro d3 folic_Dlux 400_Vigantoletten 500_AK-R215 COMPONENT COLECALCIFEROL_D3-50_Sunvit-d3 20,000_Evacal d3_Dihydrocholesterol_Sunvit-d3 3,000_Sunvit-d3 400_7-dehydrocholesterol, activated_Sunvit-d3 5,000_Aciferol d3_Colevit d3_Biolife vitamin d3_Desunin_Zymad_
CHEMBL1043,J04BA02_D10AX05_,2,1.68,2,1.27,1.27,None,2.39,248.31,4,4,2,4,17,NEUTRAL,248.31,248.0619,0,0,86.18,0.79,N,2,TRUE,FALSE,TRUE,0,FALSE,0,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,Dapsonum_Servidapson_Diaphenylsulfone_Novophone_J04BA02_Diaminodiphenylsulfone_Dapsone_Aczone_NSC-6091_NSC-6091D_,,,,,,,,
CHEMBL82301,,1,4.5,2,1.72,2.8,None,8.44,533.64,6,7,0,0,38,NEUTRAL,533.64,533.2978,1,1,61.8,0.55,N,6,FALSE,FALSE,FALSE,0,FALSE,0,COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,Vicriviroc_SCH-351125_SCH-417690 FREE BASE_SCH-D_MK-7690_,,,,,,,,
CHEMBL1046,B02AA01_,2,0.59,0,-2,-2,4.73,10.21,131.18,2,3,2,3,9,ZWITTERION,131.18,131.0946,0,0,63.32,0.54,N,5,TRUE,TRUE,FALSE,0,FALSE,0,NCCCCCC(=O)O,Epsilcapramin_NSC-400230_Aminocaproic acid_.epsilon.-aminocaproic acid_Hexanoic acid, 6-amino-_CL-10304_177 JD_CY-116_CL 10304_EACA_Epsilon-aminocaproic acid_NSC-26154_Amicar_Aminocaproic_Epsikapron_177-JD_177 J.D._177 J.D_6-aminocaproic acid_,,,,,,,
CHEMBL1051,S01EE01_,1,4.19,1,3.98,3.98,None,None,432.6,5,5,3,3,31,NEUTRAL,432.6,432.2876,0,0,86.99,0.25,N,13,FALSE,FALSE,TRUE,1,FALSE,0,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1,PHXA41_T2345_T-2345_Xelpros_XA-41_Monopost_Xalatan_XA41_Latanoprost_PHXA-41_Latanoprost (isopropyl ester)_,,,,,,,,
CHEMBL312443,,2,0.03,1,-1.83,0.15,7.06,4.99,140.14,4,4,2,2,10,NEUTRAL,140.14,140.0586,0,0,58.29,0.53,N,0,FALSE,FALSE,FALSE,0,FALSE,0,Oc1noc2c1CCNC2,Gaboxadol_NSC-759585_LU-02-030_LU 02-030_LU-02030_MK-0928_,,,,,,,,
CHEMBL83668,D01AE18_,2,4.95,3,5.75,5.75,None,0.08,307.42,2,2,0,0,22,NEUTRAL,307.42,307.1031,0,0,12.47,0.62,N,2,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,Mycil_SCH 10144_Aftate_NSC-233648_Dr. scholl's athlete's foot spray_Separin_Timoped_SCH-10144_Tritin_Tineafax_Tinaderm plus_Tinaderm_Tolnaftate_Tinactin_,,,,,,,,
CHEMBL1054,C03AA06_,0,0.82,1,0.93,0.97,8.32,None,380.66,5,7,3,4,20,NEUTRAL,380.66,378.9022,0,0,118.36,0.66,N,2,TRUE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,Trichloromethiazide_Trichlormas_NSC-61560_Trichlormethiazide_Metahydrin_Trichlorex_Naqua_,,,,,,,,
CHEMBL1055,C03BA04_,0,0.92,2,1.59,1.6,8.76,None,338.77,4,6,3,4,22,NEUTRAL,338.77,338.0128,0,0,109.49,0.76,N,2,TRUE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,NSC-69200_Chlorthalidone_G-33182_Chlortalidone_Natriuran_Thalitone_Chlortalidonum_Hygroton_Phthalamudine_,,,,,,,,
CHEMBL1059,N03AX16_,1,1.08,0,-1.34,-1.35,4.8,10.23,159.23,2,3,2,3,11,ZWITTERION,159.23,159.1259,0,0,63.32,0.63,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)C[C@H](CN)CC(=O)O,CI-1008_Pregabalin_Alzain_YNP-1807_Lyrica cr_PD-144723_NSC-759256_Pregabalin zentiva_Rewisca_Lyrica_Pregabalin mylan_Pregabalin sandoz gmbh_Axalid_Vronogabic_Lecaent_Pregabalin sandoz_,,,,,,,,
CHEMBL1060,B05XA09_A06AG01_A06AD17_,-1,None,None,None,None,None,None,141.96,None,None,None,None,None,NA,141.96,141.9408,None,None,None,None,None,None,TRUE,TRUE,FALSE,0,FALSE,0,O=P([O-])([O-])O.[Na+].[Na+],FEMA NO. 2398_Neutral sod phos_Sodium phosphate, dibasic anhydrous_INS NO.339(II)_Sodium phosphate dibasic_INS-339(II)_Sodium orthophosphate_E-339(II)_Sodium phosphate_Sodium phosphate, dibasic, anhydrous_Sodium phosphate, unspecified_,,,,
CHEMBL1064,C10AA01_,1,4.59,0,4.46,4.46,None,None,418.57,5,5,1,1,30,NEUTRAL,418.57,418.2719,0,0,72.83,0.64,N,6,TRUE,FALSE,FALSE,1,FALSE,0,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,Simvastatin_MK-0733_Synvinolin_C10AA01_Ranzolont_Flolipid_Zocor_Simvador_NSC-758706_Zocor heart-pro_Lacersa_MK-733_Simvastatin hydroxy acid_,,,,,,,,
CHEMBL83063,G02CA01_,0,2.35,2,0.51,1.82,9.15,9.81,287.36,4,4,4,4,21,BASE,287.36,287.1521,0,0,72.72,0.66,N,6,TRUE,TRUE,FALSE,0,FALSE,0,CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1,DU-21220_Ritodrine_,,,,,,,,
CHEMBL1068,N03AF02_,2,2.64,2,1.82,1.82,13.18,None,252.27,2,4,1,2,19,NEUTRAL,252.27,252.0899,0,0,63.4,0.78,N,0,TRUE,FALSE,FALSE,1,FALSE,0,NC(=O)N1c2ccccc2CC(=O)c2ccccc21,KIN-493_SPN-804_NSC-758693_Trileptal_Oxcarbazepine_GP-47680_Oxcarbamazepine_Oxtellar xr_,,,,,,,,
CHEMBL1069,C09CA03_,1,4.16,3,0.08,4.59,4,None,435.53,5,8,2,2,32,ACID,435.53,435.227,0,0,112.07,0.49,N,10,TRUE,FALSE,FALSE,0,FALSE,1,CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C,Diovan_NSC-758927_CGP 48933_Valsartan_Prexxartan_CGP-48933_Exforge_,,,,,,,,
CHEMBL86882,C01CA01_C01CA51_,0,1.04,1,-1.07,0.23,9.1,9.73,181.24,3,3,3,3,13,BASE,181.24,181.1103,0,0,52.49,0.65,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CCNCC(O)c1cccc(O)c1,N-ethylnorphenylephrine_Effortil_Phetanol_Kertasin_S-40032-7_Updormin_Ethylefrine_Corcanfol_Etilefrine hydrochloride_Cardanat_Circupon_Etilefrin hydrochloride_Dl-etilefrin_Efortil_Etilefrine hcl_Effortil depot perlongetten_Effontil_Apocretin_Etilefrine_S-40032_Thomasin_Etilefrin_Pulsamin_,,,,,,,,
CHEMBL86304,N06AG02_,2,1.4,1,1.43,1.45,None,6.02,268.74,3,4,1,1,18,NEUTRAL,268.74,268.0979,0,0,41.57,0.9,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,Aurorix_RO 11-1163/000_GNF-PF-695_RO-111163000_Manerix_Moclobemide_,,,,,,,,
CHEMBL1070,M01AX01_,2,3.37,2,3.22,3.22,None,None,228.29,2,2,0,0,17,NEUTRAL,228.29,228.115,0,0,26.3,0.8,N,4,TRUE,FALSE,FALSE,1,FALSE,1,COc1ccc2cc(CCC(C)=O)ccc2c1,BRL 14777_NSC-758623_Relifex_Nabumetone_BRL-14777_Relafen_,,,,,,,,
CHEMBL1071,M01AE12_,2,4.03,3,1.05,3.46,4.95,None,293.32,3,4,1,1,22,ACID,293.32,293.1052,0,0,63.33,0.77,N,5,TRUE,FALSE,FALSE,0,FALSE,1,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,WY-21743_NSC-310839_WY-21,743_Daypro_Oxaprozin_,,,,,,,
CHEMBL314437,N02AX05_,0,3.16,1,1.55,3.07,10.23,9.16,233.35,2,2,1,1,17,BASE,233.35,233.178,0,0,23.47,0.85,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CCC1(c2cccc(O)c2)CCCCN(C)C1,Meptazinol_IL-22811_,,,,,,,,
CHEMBL86715,N04AA04_,0,3.94,1,1.75,3.79,13.84,9.45,287.45,2,2,1,1,21,BASE,287.45,287.2249,0,0,23.47,0.89,N,5,TRUE,FALSE,FALSE,0,FALSE,0,OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,Vagosin_Lergine_Kemadrine_Tricoloid_Elorine_Procyclidine_NSC-169103_,,,,,,,,
CHEMBL1072,C03CA02_,2,3.04,2,-0.13,2.42,4.69,2.7,364.42,5,7,3,4,25,ACID,364.42,364.1093,0,0,118.72,0.62,N,8,TRUE,TRUE,FALSE,0,FALSE,1,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,RO 10-6338_S95008._S-95008._Burinex_Betinex_Bumex_Lixil_Bumetanide_RO-106338_RO-10-6338_,,,,,,,,
CHEMBL1073,A10BB07_,2,2.08,2,0.49,1.43,4.32,0.06,445.55,6,9,3,3,31,ACID,445.55,445.1784,0,0,130.15,0.6,N,7,TRUE,FALSE,FALSE,0,FALSE,0,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,Glucotrol_K-4024_Glipizide_NSC-759120_Glibenese_Glucotrol xl_Glipizide slow release_Minodiab 5_Minodiab 2.5_CP-28,720_K 4024_CP-28720_,,,,,,,
CHEMBL87708,N06AA07_,2,5.78,3,6.06,6.11,None,6.53,418.97,3,3,0,0,30,NEUTRAL,418.97,418.1812,1,1,23.55,0.45,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1,Lofepramine_,,,,,,,,
CHEMBL87493,N03AX26_A08AA02_,0,3.25,1,0.79,3.47,None,10.22,231.26,1,1,1,1,16,BASE,231.26,231.1235,0,0,12.03,0.84,N,4,TRUE,FALSE,FALSE,0,TRUE,1,CCNC(C)Cc1cccc(C(F)(F)F)c1,Obedrex_Ponderax pa_Rotondin_Acino_Pesos_J5.760F_Brabafen_Phenfluramine_Z008_Z-008_Fenfluramin_ZX-008_ZX008_Fenfluramine_S-768_,,,,,,,,
CHEMBL315795,N05CM02_N05CX04_,2,2.23,1,1.77,1.77,None,3.18,161.66,2,1,0,0,9,NEUTRAL,161.66,161.0066,0,0,12.89,0.61,Y,2,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ncsc1CCCl,SCTZ [AS EDISYLATE]_Heminevrin_Chlormethiazole_Distraneurine_Clomethiazole_,,,,,,,,
CHEMBL315985,N03AF04_,1,2.49,2,1.73,1.73,None,None,254.29,2,4,2,3,19,NEUTRAL,254.29,254.1055,0,0,66.56,0.76,N,0,FALSE,FALSE,FALSE,0,FALSE,0,NC(=O)N1c2ccccc2C[C@H](O)c2ccccc21,Stedesa_CGP-13751_Pazzul_(s)-licarbazepine_Erelib_BIA 2-194_BIA-2-194_Eslicarbazepine_Licarbazepine, (s)-_,,,,,,,
CHEMBL1075,C01BG01_,2,4.11,2,2.99,3.07,12.9,6.73,427.53,6,7,1,1,30,NEUTRAL,427.53,427.1566,0,0,71.11,0.77,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2,Moracizine_EN-313_Moricizine_EN-313 FREE BASE_Ethmozine_,,,,,,,,
CHEMBL87992,N03AF04_,1,3.06,2,2.17,2.17,None,None,296.33,3,5,1,2,22,NEUTRAL,296.33,296.1161,0,0,72.63,0.82,N,1,TRUE,FALSE,FALSE,1,FALSE,0,CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21,Aptiom_BIA-2-093_Stedesa_BIA-2093_BIA 2-093_Zebinix_Pazzul_SEP-0002093_Erelib_SEP - 0002093_Eslicarbazepine acetate_,,,,,,,,
CHEMBL88055,R03AC05_,0,1.27,1,-0.78,0.44,9.74,8.93,223.27,4,4,4,4,16,BASE,223.27,223.1208,0,0,72.72,0.57,N,2,FALSE,FALSE,FALSE,0,FALSE,0,Oc1ccc(C(O)C2CCCCN2)cc1O,Rimiterol_,,,,,,,,
CHEMBL1077,S01BC11_,2,2.89,2,0.4,3.66,3.81,1.59,334.17,3,4,2,3,20,ACID,334.17,333.0001,0,0,80.39,0.67,N,4,FALSE,FALSE,TRUE,0,TRUE,0,Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1,Bromfenac_Yellox_ISV-303_,,,,,,,,
CHEMBL1079,M03BX02_,2,1.72,2,1.68,2.02,None,7.49,253.72,6,5,2,2,16,NEUTRAL,253.72,253.0189,0,0,62.2,0.81,N,1,TRUE,FALSE,FALSE,0,FALSE,0,Clc1ccc2nsnc2c1NC1=NCCN1,Tizanidine_Zanaflex_,,,,,,,,
CHEMBL419667,,1,3.3,3,2.66,2.83,7.72,None,620.51,7,10,2,3,41,NEUTRAL,620.51,619.0947,1,1,139.47,0.41,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC,TDI-0134_Relcovaptan_SR 49059_Sr-49059_TDI 0134_,,,,,,,,
CHEMBL89598,N03AG04_,0,0.36,0,-2.09,-2.09,4.61,9.91,129.16,2,3,2,3,9,ZWITTERION,129.16,129.079,0,0,63.32,0.54,N,4,TRUE,FALSE,FALSE,0,FALSE,1,C=CC(N)CCC(=O)O,MDL 71,754_Sabril_CPP-109_Gamma-vinyl gaba_Vinyl gamma-aminobutyric acid_RMI-71754_Vigabatrin_MDL-71754_5-hexenoic acid, 4-amino-_Gamma vinyl gaba_,,,,,,
CHEMBL90555,L01CA02_,1,3.52,3,1.14,3.13,10.85,8.66,824.97,12,14,3,3,60,BASE,824.97,824.3996,2,2,171.17,0.13,N,8,FALSE,TRUE,FALSE,0,FALSE,1,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,Vincristine_Vincaleukoblastine, 22-oxo-_Oncotcs_22-oxovincaleukoblastine_Tecnocris_Vincristin_Leucristine_Leurocristine_Vinkristin_,,,,,,,
CHEMBL329123,,2,8.05,4,5.18,8.52,3.6,None,544.62,5,6,2,2,40,ACID,544.62,544.2261,2,2,85.22,0.17,N,13,FALSE,FALSE,FALSE,0,FALSE,0,CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)O,Ly-293111_VML 295_LY293111_LY-293111_Etalocib_LY-193111_Ly293111_,,,,,,,,
CHEMBL313972,L01XX10_,1,3.57,2,4.75,4.76,9.21,None,302.37,4,4,4,4,22,NEUTRAL,302.37,302.1518,0,0,80.92,0.64,N,5,FALSE,FALSE,TRUE,0,FALSE,0,C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1,Actinex_MESO-NDGA_Meso-nordihydroguaiaretic acid_INSM-18_Masoprocol_Nordihydroguaiaretic acid_NSC-682984_CHX-100_NSC-4291_,,,,,,,,
CHEMBL314854,L04AA27_,2,3.2,1,2.12,4.06,None,9.38,307.48,3,3,3,4,22,BASE,307.48,307.2511,0,0,66.48,0.52,N,12,TRUE,FALSE,FALSE,1,FALSE,0,CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1,Fingolimod_Gilenya_FTY-720_,,,,,,,,
CHEMBL91829,,1,3.51,4,1.85,2.98,9.76,8.75,468.56,6,7,1,1,35,BASE,468.56,468.2161,0,0,68.5,0.46,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,Ly-333531_LY-333531_Ruboxistaurin_Arxxant_,,,,,,,,
CHEMBL1085,N05AB07_,2,3.49,2,2.19,2.65,None,7.67,411.57,6,5,1,1,29,NEUTRAL,411.57,411.198,0,0,47.02,0.7,N,7,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,Acetophenazine_Tindal_,,,,,,,,
CHEMBL1086,S02DA04_S01HA06_D04AB02_N01BB06_C05AD04_,2,3.49,2,2.05,3.7,None,9.04,343.47,4,5,1,1,25,BASE,343.47,343.226,0,0,54.46,0.67,N,10,FALSE,TRUE,FALSE,0,FALSE,0,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,Cinchocaine_NSC-159055_Nupercainal_Dibucaine_,,,,,,,,
CHEMBL1087,N01BB03_N01BB53_,0,2.73,1,2.96,3.19,13.62,7.25,246.35,2,3,1,1,18,NEUTRAL,246.35,246.1732,0,0,32.34,0.87,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,Cc1cccc(C)c1NC(=O)C1CCCCN1C,Dl-mepivacaine_Carbocaine_Mepisv_APF-135_Mepivacaine_Tevacaine_Polocaine_1-methyl-2',6'-pipecoloxylidide_Polocaine-Mpf_Carboplyin dental_,,,,,,,
CHEMBL1089,N06AF03_,2,0.69,1,1.2,1.2,None,5.55,136.2,2,2,2,3,10,NEUTRAL,136.2,136.1,0,0,38.05,0.47,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,NNCCc1ccccc1,Nardil_Phenelzine_,,,,,,,,
CHEMBL1090,S01AD06_J05AB03_,1,-1.98,2,-2.09,-2.09,12.45,3.94,267.25,9,9,4,5,19,NEUTRAL,267.25,267.0968,0,0,139.54,0.49,N,2,FALSE,TRUE,TRUE,0,FALSE,0,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,NSC-247519_Vidarabine anhydrous_CI 673_NSC-404241_NSC-757383_ARA-A_Vidarabine, anhydrous_Vidarabine monohydrate_Vidarabine_Arabinosyladenine_CI-673_Arasena-a_Vira-a_,,,,,,,
CHEMBL90593,A14AA07_G03XX01_,1,3.88,0,3.36,3.36,None,None,288.43,2,2,1,1,21,NEUTRAL,288.43,288.2089,0,0,37.3,0.69,N,0,FALSE,FALSE,TRUE,0,FALSE,0,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O,Enzymatic therapy_Biolaif_Natrol dhea_Dehydroepiandrosterone_Prasterone_Intrarosa_NSC-9896_Dehydroandrosterone_Dhea_Dehydroisoandrosterone_Vaginorm_EM-760_,,,,,,,,
CHEMBL93747,,0,4.45,3,3.82,4.65,6.61,None,381.43,4,4,1,1,27,NEUTRAL,381.43,381.0835,0,0,55.4,0.71,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C1NC(=O)C(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1,RWJ-241947_MCC 555_Mcc-555_PGX-510_Netoglitazone_,,,,,,,,
CHEMBL1091,D07XA01_A07EA02_H02AB09_C05AA01_S02BA01_A01AC03_D07AA02_S01BA02_S01CB03_,1,2.35,0,1.72,1.72,12.61,None,404.5,6,6,2,2,29,NEUTRAL,404.5,404.2199,0,0,100.9,0.7,N,3,FALSE,TRUE,TRUE,1,FALSE,0,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,Epifoam_Hydrocortisone acetate_Cortisol 21-acetate_Hydrocal_Hydrocortisone Acetate_NSC-741_Chloromycetin hydrocort_Hepacort plus_Genticin hc_Colifoam_Cortifoam_Hc45 hydrocort_Hydrocortisone 21-acetate_Cortril_Hydrocortone_Gppe foam aero_Gppe ear susp_Lanacort_Micort-hc_Cortucid_Framycort_Fucidin h_Hemsol-hc_Orabase hca_Gentisone hc_Gppe eye crm_Hydrocortisoni acetas_Cortef acetate_Barquinol hc_Neo-cortef_Dricort_,,,,,,,,
CHEMBL1092,,0,4.33,1,2.32,4.23,13.84,9.32,337.94,2,2,1,1,22,BASE,301.47,301.2406,0,0,23.47,0.87,N,5,TRUE,FALSE,FALSE,0,FALSE,0,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,Trihexyphenidyli hydrochloridum_Parcopane_Triphedinon_Benzhexol_Cyclodolum_Tremin_Aparkane_Artane_Trihexyphenidyl HCl_Agitane_Trihexyphenidyl hydrochloride_Trihexyphenidyl hcl_Bentex_Romparkin_Broflex_Benzhexol hydrochloride_Sedrina_NSC-757357_Cyclodol_,,,,,,,,
CHEMBL1093,N01BB58_N01BB08_,0,2.17,1,1.94,3.25,11.61,8.68,284.38,5,5,2,2,19,BASE,284.38,284.1195,0,0,67.43,0.79,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC,40-045_Carticaine_Septocaine_Articaine_HOE-045_HOE 045_40 045_,,,,,,,,
CHEMBL1094,N03AX10_,2,0.96,1,0.68,0.68,None,None,238.24,4,6,2,4,17,NEUTRAL,238.24,238.0954,0,0,104.64,0.8,N,5,TRUE,FALSE,FALSE,0,FALSE,1,NC(=O)OCC(COC(N)=O)c1ccccc1,ADD-03055_Felbamate_Felbatol_Taloxa_NSC-759866_W-554_,,,,,,,,
CHEMBL1095,N03AB01_,0,1.3,1,1.07,1.07,11.18,None,204.23,2,4,1,1,15,NEUTRAL,204.23,204.0899,0,0,49.41,0.74,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CCN1C(=O)NC(c2ccccc2)C1=O,Peganone_Accenon_NSC-760074_Ethotoin_,,,,,,,,
CHEMBL1096,A01AD07_R03DX01_,2,2.75,3,0.69,3.65,4.31,1.87,298.3,5,6,2,3,22,ACID,298.3,298.0954,0,0,106.42,0.7,N,2,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,Aphthasol_CHX 3673_Amlexanox_Solfa_CHX-3673_Aphtheal_Elics_AA-673_Amoxanox_,,,,,,,,
CHEMBL93645,M01AB16_M02AA25_,2,3.91,2,0.49,3.88,3.44,None,354.19,4,5,2,2,23,ACID,354.19,353.0222,0,0,75.63,0.77,N,6,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,Aceclofenac_Preservex_Gerbin_Aceclofenac betadex_,,,,,,,,
CHEMBL92401,N06AF05_,2,0.72,1,0.31,0.31,13.66,3.82,179.22,3,4,2,2,13,NEUTRAL,179.22,179.1059,0,0,54.02,0.67,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)NNC(=O)c1ccncc1,Marsilid_Iproniazid_Iproniazide_,,,,,,,,
CHEMBL92870,C08EX01_,2,5.75,3,6.07,6.58,13.78,7.76,491.63,3,4,1,1,36,NEUTRAL,491.63,491.2748,1,1,35.58,0.41,N,9,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,R 7904_Angex_R-7904_Clinium_Lidoflazine_MCN-JR-7904_,,,,,,,,
CHEMBL1098,N01BB01_N01BB51_,0,3.9,1,3.82,4.52,13.62,8,288.44,2,3,1,1,21,NEUTRAL,288.44,288.2202,0,0,32.34,0.89,N,5,FALSE,TRUE,FALSE,0,FALSE,1,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C,LIQ865_Sensorcaine_Liposomal bupivacaine_Anekain_Posimir_SKY0402_Bucaine_SKY-0402_Bupivacaine liposome_LIQ-865_Bupivacaine_Marcaine_Ropivacaine hydrochloride impurity, bupivacaine-_Exparel_,,,,,,,
CHEMBL1100,N03AC01_,0,0.76,0,1.03,1.03,None,None,157.17,3,4,0,0,11,NA,157.17,157.0739,0,0,46.61,0.56,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,CCC1(C)OC(=O)N(C)C1=O,NSC-760129_Paradione_Paramethadione_Isoethadione_,,,,,,,,
CHEMBL1101,N04AA02_,1,3.96,1,1.64,3.54,13.82,9.3,311.47,2,2,1,1,23,BASE,311.47,311.2249,0,0,23.47,0.83,N,5,TRUE,TRUE,FALSE,0,FALSE,0,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,KL 373_Biperidenum_Akineton-_Biperiden_NSC-759145_Akineton_,,,,,,,,
CHEMBL328560,N03AX03_,2,0.26,1,-0.27,-0.27,10.55,None,290.37,4,6,1,2,18,NEUTRAL,290.37,290.0395,0,0,97.54,0.84,N,2,FALSE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1,Ospolot_RIKER-594_Sultiame_Sulthiame_RIKER 594_Conadil_Trolone_,,,,,,,,
CHEMBL1102,N05CE01_,0,1.77,1,2.13,2.13,11.69,None,217.27,2,3,1,1,16,NEUTRAL,217.27,217.1103,0,0,46.17,0.77,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CCC1(c2ccccc2)CCC(=O)NC1=O,NSC-95239_Sarodormin_Doriden_Noxyron_Elrodorm_Rigenox_Glutethimide_,,,,,,,,
CHEMBL1103,G01AX06_,2,0.97,1,0.87,0.87,None,None,225.16,6,8,0,0,16,NEUTRAL,225.16,225.0386,0,0,98.18,0.43,N,3,TRUE,FALSE,FALSE,0,FALSE,0,O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1,Nifurazolidone_Furoxone_Furazolidone_NSC-6469_Furall_,,,,,,,,
CHEMBL1104,V04CX07_,2,1.98,1,-0.96,-1.91,8.59,None,166.24,1,2,1,1,12,NEUTRAL,166.24,166.1226,0,0,20.23,0.67,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,CC[N+](C)(C)c1cccc(O)c1,Edrophonium cation_Reversol_Tensilon_ENLON-PLUS_Enlon_Edrophonium_Edrophonium ion_,,,,,,,,
CHEMBL413965,M02AA08_,2,2.98,2,0.63,3.26,4.71,None,212.25,1,2,1,1,16,ACID,212.25,212.0837,0,0,37.3,0.85,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)Cc1ccc(-c2ccccc2)cc1,NSC-16284_CL 83,544_Dolinac_Flexfree_LJC 10,141_Target_Ly-61017_LJC-10141_L-141_Felbinac_CL-83544_Traxam_Felbinac ethyl_Napageln_,,,,,,
CHEMBL1106,S01GX10_R06AX24_,0,2.47,2,1.73,3.07,None,8.77,249.32,3,3,1,2,19,BASE,249.32,249.1266,0,0,41.62,0.78,Y,0,FALSE,FALSE,TRUE,0,FALSE,0,NC1=NCC2c3ccccc3Cc3ccccc3N12,Purivist_Elestat_Epinastine_WAL-801_,,,,,,,,
CHEMBL1107,P01BX01_,0,8.64,3,5.46,8.06,None,10.05,500.43,2,2,1,1,33,BASE,500.43,499.1657,2,2,23.47,0.28,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12,DL-WR-171669_Halofantrine_,,,,,,,,
CHEMBL1108,N05AD08_,2,3.68,3,2.93,3.01,12.72,6.75,379.44,4,5,1,1,28,NEUTRAL,379.44,379.1696,0,0,58.1,0.66,N,6,FALSE,TRUE,FALSE,0,FALSE,1,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,Droperidol_NSC-169874_Dridol_MCN-JR-4749_Droleptan_Inapsine_R-4749_,,,,,,,,
CHEMBL94454,R06AX25_,2,3.41,4,3.65,3.73,8.08,5.63,432.5,6,7,1,1,32,NEUTRAL,432.5,432.2074,0,0,70.05,0.52,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,Mizollen_Mizolastine_,,,,,,,,
CHEMBL1109,J01ED08_S01AB05_,2,2.26,3,1.28,1.81,6.82,2.44,314.37,5,6,2,3,22,NEUTRAL,314.37,314.0837,0,0,90.01,0.72,N,4,TRUE,FALSE,FALSE,0,FALSE,0,Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1,NSC-757859_Orisulf_Sulfaphenazole_Sulfafenazol_Sulphaphenazole_Sulfabid_,,,,,,,,
CHEMBL1110,A03AE01_,2,2.41,3,1.12,1.21,13.32,6.81,294.36,3,5,1,1,22,NEUTRAL,294.36,294.1481,0,0,53.92,0.79,Y,2,TRUE,FALSE,FALSE,0,FALSE,1,Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O,Lotronex_Alosetron_A03AE01_,,,,,,,,
CHEMBL94394,M01AB17_M02AA09_,2,1.91,1,1.95,1.97,8.86,None,223.27,3,4,2,2,16,NEUTRAL,223.27,223.1208,0,0,58.56,0.44,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CCCCOc1ccc(CC(=O)NO)cc1,Bufexamac_CP 1044 J3_Duradermal_Butoxyphenylacethydroxamic acid_Parfenac_CP-1044-J3_NSC-758153_Anderm_Paraderm_,,,,,,,,
CHEMBL316561,A02BX06_,0,2.3,1,-0.73,2.14,4.42,None,334.42,3,6,2,2,24,ACID,334.42,334.1893,0,0,86.71,0.69,N,10,FALSE,FALSE,FALSE,0,TRUE,0,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,Dl-proglumide_Nulsa_Proglumide_W-5219_Milid_Xylamide_Promid_Binoside_CR-242_Gastrotopic_NSC-757841_Ulcutin_Midelid_,,,,,,,,
CHEMBL1111,C02KX02_,1,3.52,3,0.4,2.97,3.08,4,378.43,5,6,1,1,28,ACID,378.43,378.158,0,0,81.54,0.68,N,7,TRUE,FALSE,FALSE,0,FALSE,1,COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O,GSK1325760_LU-208075_Ambrisentan_GSK-1325760_Volibris_GSK1325760A_GSK-1325760A_Letairis_,,,,,,,,
CHEMBL98123,,2,3.86,3,3.06,3.08,None,6.03,375.85,5,5,0,0,25,NEUTRAL,339.39,339.1471,0,0,49.81,0.68,N,6,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl,NSC-35443_Cardoverina_Papaverine hydrochloride_Papaver hcl_Pavabid_Artegodan_Vasorin_Papaverini hydrochloridum_Papaverine hcl_,,,,,,,,
CHEMBL430497,,1,1.48,1,-1.32,1.01,None,9.78,198.65,3,3,1,1,13,BASE,198.65,198.056,0,0,34.15,0.75,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,Clc1ccc(OC[C@H]2CCN2)cn1,Tebanicline_,,,,,,,,
CHEMBL1112,N05AX12_,2,4.86,2,4.57,4.9,13.51,7.46,448.39,4,5,1,1,30,NEUTRAL,448.39,447.148,0,0,44.81,0.61,N,7,TRUE,TRUE,FALSE,0,FALSE,1,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,Abilify_Abilify mycite kit_Abilify maintena_Aripiprex_Abilify mycite_OPC-31_NSC-759266_Aripiprazole_Abilify maintena kit_OPC-14597_,,,,,,,,
CHEMBL1113,N06AA17_,2,3.43,2,1.64,3.08,None,8.83,313.79,4,4,1,1,22,BASE,313.79,313.0982,0,0,36.86,0.81,N,0,TRUE,FALSE,FALSE,0,FALSE,1,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CL-67772_Asendin_Amoxapine_Defanyl_Asendis_NSC-759559_CL 67,772_CL 67772_CL-67,772_,,,,,,
CHEMBL1115,N07AA02_,2,0.57,1,-3.47,-3.47,None,None,181.22,2,4,0,0,13,NEUTRAL,181.22,181.0972,0,0,33.42,0.59,Y,1,TRUE,TRUE,FALSE,0,FALSE,1,CN(C)C(=O)Oc1ccc[n+](C)c1,Pyridostigmine cation_Pyridostigmine ion_Pyridostigmine_Mestinon_Regonol_,,,,,,,,
CHEMBL1116,,2,6.08,4,5.34,5.69,8.89,7.95,510.06,6,5,2,2,34,NEUTRAL,473.59,473.1661,1,1,70,0.32,N,7,TRUE,FALSE,FALSE,0,FALSE,1,Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,Evista_NSC-706725_Evirex_Raloxifene hcl_Optruma_Raloxifene hydrochloride_Raloxifene teva_Keoxifene hydrochloride_LY-156758_Razylan_LY156758_Ostiral_,,,,,,,,
CHEMBL1117,L01DB06_,1,1.02,2,1.06,1.51,8.02,9.18,497.5,10,10,5,6,36,BASE,497.5,497.1686,1,0,176.61,0.33,N,3,FALSE,TRUE,FALSE,0,FALSE,1,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O,Idamycin_Idarubicin_,,,,,,,,
CHEMBL95889,A16AA06_,2,-0.22,0,-3.72,-4.49,2.26,None,118.16,1,3,1,1,8,ACID,118.16,118.0863,0,0,37.3,0.51,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,C[N+](C)(C)CC(=O)O,Cystadane_Betaine anhydrous_FEMA NO. 4223_Betaine, anhydrous_Betaine_Abromine_NSC-166511_,,,,,,,
CHEMBL1118,N06AX23_,0,2.73,1,1.07,2.29,10.11,8.87,263.38,3,3,2,2,19,BASE,263.38,263.1885,0,0,43.7,0.88,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1,Mdd-xr_O-desmethylvenlafaxine_Newven_D-veniz_ODV_Khedezla_Desvenlafaxine_Pristiq_,,,,,,,,
CHEMBL328190,G03XC03_,1,5.73,3,4.62,5.97,10.21,8.98,413.56,3,3,1,1,31,BASE,413.56,413.2355,1,1,32.7,0.56,N,6,FALSE,FALSE,FALSE,0,FALSE,0,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,Lasofoxifene_,,,,,,,,
CHEMBL317052,,1,-2.43,3,-2.25,-2.25,12.35,1.53,390.36,12,13,5,6,28,NEUTRAL,390.36,390.14,2,1,186.46,0.32,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,Regadenoson monohydrate_Lexiscan_,,,,,,,,
CHEMBL99946,,1,1.77,1,-0.91,1.42,None,9.83,246.35,2,3,1,2,18,BASE,246.35,246.1732,0,0,46.33,0.86,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN,Milnacipran, (1s,2r)-_(1s,2r)-milnacipran_Levomilnacipran_Fetzima_F-2695_F 2695_F2695_,,,,,
CHEMBL317094,C09AA16_,1,0.88,1,-1.81,-0.23,3.49,5.22,405.45,6,9,2,2,29,ACID,405.45,405.19,0,0,116.25,0.59,N,9,FALSE,FALSE,FALSE,1,FALSE,0,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O,Imidapril monohydrochloride_TA 6366_Imidapril_TA-6366_Imidapril hydrochloride_Hipertene_Imidapril hcl_Tanatril_,,,,,,,,
CHEMBL101253,,2,5.01,4,4.15,4.15,None,4.95,346.82,4,4,1,1,25,NEUTRAL,346.82,346.0985,1,1,50.7,0.56,N,4,FALSE,FALSE,FALSE,0,FALSE,0,Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,NVP-PTK787_K-222584_Vatalanib succinate_PTK-787_Vatalanib_BAY-86-5127_PTK787_Ptk-787_ZK-222584_ZK222584_CGP-79787_,,,,,,,,
CHEMBL100116,N02AD01_,0,3.88,1,1.99,3.89,10.42,9.57,285.43,2,2,1,1,21,BASE,285.43,285.2093,0,0,23.47,0.83,N,2,TRUE,TRUE,FALSE,0,FALSE,1,CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C,NSC-107430_Dl-pentazocine_Fortral_NIH-7958_WIN-20228_Pentazocine_WIN 20,228_Talwin_Pentazocine civ_,,,,,,,
CHEMBL1123,A03AA07_,2,4.4,0,3.36,4.93,None,8.96,309.49,3,3,0,0,22,BASE,309.49,309.2668,0,0,29.54,0.65,N,7,TRUE,TRUE,FALSE,0,FALSE,0,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,Dicyclomine_Dicymine_Kolantyl_Bentyl_Dicycloverine_,,,,,,,,
CHEMBL1126,,1,0.86,1,-2.29,1.08,3.53,None,356.38,4,6,2,2,23,ACID,334.4,334.0987,0,0,86.71,0.8,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],Benzyl penicillin sodium_Crystapen_E706_Penicillin G Sodium_Sodium benzylpenicillinoate_Monocillin_Penicillin g sodium, crystalline_NSC-402815_Benzylpenicillinum natricum_Penicillinum_Ethacillin_Penicillin g sodium_Penicillin g sodium salt_Benzylpenicillin sodium_Penicillin sodium_,,,,,,,
CHEMBL1128,,2,1.98,1,-0.96,-1.91,8.59,None,201.7,1,2,1,1,12,NEUTRAL,166.24,166.1226,0,0,20.23,0.67,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,CC[N+](C)(C)c1cccc(O)c1.[Cl-],Reversol_Edrophone chloride_Edrophonium Chloride_Tensilon_Edrophonium chloride preservative free_Enlon_Tensilon preservative free_Antirex_NSC-759577_Edrophonii chloridum_Edrophonium chloride_Camsilon_,,,,,,,,
CHEMBL103667,,2,5.99,4,6.28,6.37,11.32,6.78,527.67,6,8,2,2,39,NEUTRAL,527.67,527.2896,2,2,80.65,0.31,N,7,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,BIRB-796 BS_BIRB-796_Doramapimod_Birb-796_BIRB 796 BS_,,,,,,,,
CHEMBL105442,,2,5.04,2,6.54,6.54,12.01,None,478.66,3,4,2,2,25,NEUTRAL,478.66,477.9757,1,1,50.36,0.45,N,6,FALSE,FALSE,FALSE,0,FALSE,0,O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl,CI-1040_Ci 1040_Ci-1040_PD-18435_PD-184352_,,,,,,,,
CHEMBL1129,L01BC59_S01AD02_,1,-0.8,1,-0.79,-0.75,8.5,None,296.2,6,7,3,3,20,NEUTRAL,296.2,296.062,0,0,104.55,0.66,N,2,TRUE,FALSE,TRUE,0,FALSE,0,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,Viroptic_T.f.t._NSC-529182_Trifluridine _Triherpine_Trifluridine_F3dthd_NSC-75520_,,,,,,,,
CHEMBL1131,D05BB02_,2,5.17,1,3.01,5.59,4.77,None,326.44,2,3,1,1,24,ACID,326.44,326.1882,1,1,46.53,0.58,N,6,TRUE,FALSE,FALSE,0,FALSE,1,COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C,RO-101670000_Etretin_Neotigason_Soriatane_RO 10-1670_Acitretin_RO 10-1670/000_,,,,,,,,
CHEMBL1133,,0,3.34,1,3.06,4.44,11.53,8.77,393.96,4,4,1,1,26,BASE,357.49,357.2304,0,0,49.77,0.6,N,7,TRUE,FALSE,TRUE,0,FALSE,0,CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,Pollakisu_Tropax_NSC-759108_5058_Ditropan_MJ 4309-1_Ditropan xl_MJ-4309-1_Oxybutynin hydrochloride_Oxybutynin chloride_Gelnique_,,,,,,,,
CHEMBL1134,,2,3.52,0,-4.87,-4.87,None,None,418.3,0,2,0,0,18,NA,258.49,258.3024,0,0,0,0.39,N,11,FALSE,TRUE,FALSE,0,FALSE,0,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-],NSC-23004_Decamethonium Bromide_Decamethonium iodide_Decamethonium diiodide_Decamethonium bromide_Syncurine_,,,,,,,,
CHEMBL105060,,1,6.06,2,5.84,5.84,10.8,None,624.41,3,6,2,2,41,NEUTRAL,624.41,623.1177,2,2,78.51,0.29,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1,Dnk333_,,,,,,,,
CHEMBL1136,J01FA15_,1,4.93,2,4.89,5.15,8.93,7.66,812.02,14,15,1,1,58,NEUTRAL,812.02,811.4731,2,2,171.85,0.18,N,11,TRUE,FALSE,FALSE,0,FALSE,1,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C,Levviax_HMR 3647_NSC-758940_Ketek_HMR-3647_Telithromycin_,,,,,,,,
CHEMBL107367,,1,6.61,5,4.03,7.31,3.76,0.93,546.62,6,7,2,2,41,ACID,546.62,546.2155,2,2,101.66,0.17,N,12,FALSE,FALSE,FALSE,0,FALSE,0,Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,Farglitazar_GI-262570X_GI-262570_G1-262570_Gi262570_GI262570X_,,,,,,,,
CHEMBL107430,,2,5.62,2,1.71,5.93,2.62,None,437.87,3,5,3,3,30,ACID,437.87,437.1205,1,1,86.63,0.58,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CC1(C)CCC(C)(C)c2c1cc(C(=O)Nc1cc(F)c(C(=O)O)c(F)c1)c(O)c2Cl,NRX-195183_AGN-195183_Nrx195183_NRX195183_IRX5183_Irx-5183_VTP-195183_VTP-5183_AGN 195183_,,,,,,,,
CHEMBL1138,C10AX09_,1,4.89,3,4.56,4.56,9.48,None,409.43,3,4,2,2,30,NEUTRAL,409.43,409.1489,0,0,60.77,0.57,N,6,TRUE,FALSE,FALSE,0,FALSE,0,O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1,Ezetimibe_Zetia_MK0653_Ezetrol_SCH-58235_NSC-758923_SCH58235_,,,,,,,,
CHEMBL1139,B01AC09_,1,3.41,0,-0.45,2.42,4.43,None,352.47,4,5,3,3,25,ACID,352.47,352.225,0,0,86.99,0.41,N,10,FALSE,TRUE,FALSE,0,FALSE,0,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)C[C@@H]21,U-53217_Flolan_ACT-385781A_U-53,217_Pgi2_PG-I2_Prostaglandin x_Pgx_Prostacyclin_Prostaglandin i2_Epoprostenol_,,,,,,,
CHEMBL110458,A16AX14_,1,-2.97,0,-3.63,-2.89,12.91,8.06,163.17,5,5,5,5,11,NEUTRAL,163.17,163.0845,0,0,92.95,0.28,N,1,TRUE,FALSE,FALSE,0,FALSE,0,OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O,At-1001, gr-181314a_Galafold_Migalastat_,,,,,,,
CHEMBL108545,,2,1.18,1,2.32,2.32,9.72,None,152.15,3,3,1,1,11,NEUTRAL,152.15,152.0473,0,0,46.53,0.61,Y,1,FALSE,FALSE,TRUE,0,FALSE,0,COC(=O)c1ccccc1O,Flavor,wintergreen_Sweet birch oil_Bengue's balsam_Luma_Fema no. 2154_Gppe lin_Methyl salicylate,synthetic_Gppe rub_Teaberry oil_Wintergreen oil_Nasciodine_Balmosa_Sloans_P.r._Fema no. 3113_Rhodiaflor_Methyl Salicylate_Thera-gesic_Dubam_Aspellin_NSC-8204_Betula oil_FEMA NO. 2745_Radian-b_Gaultheria oil_Deep heat_Birch oil, sweet_Methyl salicylate_,,,,,
CHEMBL1141,R05CA02_V03AB21_S01XA04_,-1,None,None,None,None,None,None,166,None,None,None,None,None,NA,166,165.8682,None,None,None,None,None,None,TRUE,FALSE,FALSE,0,FALSE,0,[I-].[K+],NSC-77362_Potassium iodide_Pot iodide ammoniat_Thyroshield_Kalii iodidum_Kaliumjodid_Iodine (as potassium)_Iodine (as potassium iodide)_Iosat_Jodetten depot_Kali iodatum_Thyro-block_Thyrosafe_,,,,,,,,
CHEMBL1144,C10AA03_,1,2.44,0,-1.38,1.65,4.21,None,424.53,6,7,4,4,30,ACID,424.53,424.2461,0,0,124.29,0.4,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21,Pravastatin_Pravachol_Pravator_C10AA03_,,,,,,,,
CHEMBL431651,,1,4.56,3,1.08,4.38,3.71,None,506.55,7,8,2,2,37,ACID,506.55,506.1941,1,1,103.68,0.41,N,10,FALSE,FALSE,FALSE,0,FALSE,0,CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2,SB-217242_Enrasentan_Sb-217242_,,,,,,,,
CHEMBL1146,J01DC03_,1,-0.23,2,-3.43,0.03,3.13,None,462.51,10,11,3,3,31,ACID,462.51,462.078,1,0,150.54,0.37,N,7,FALSE,FALSE,FALSE,0,FALSE,0,Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1,COMPOUND-83405_Cefamandole_COMPOUND 83405_J01DC03_Cephamandole_,,,,,,,,
CHEMBL1148,C03CA04_,2,2.53,2,1.12,1.86,5.92,4.2,348.43,5,7,3,3,24,ACID,348.43,348.1256,0,0,100.19,0.77,N,5,TRUE,TRUE,FALSE,0,FALSE,0,Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,BM-02.015_Luprac_Torsemide_AC4464_Torasemide_Torem 10_BM-02015_Torasemide anhydrous_Torem 2.5_Upcard_BM02.015_Soaanz_Torem 5_Demadex_AC-4464_,,,,,,,,
CHEMBL111659,,1,1.83,1,0.48,1.31,None,8.16,186.26,2,2,0,0,14,NEUTRAL,186.26,186.1157,0,0,16.13,0.62,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,C#Cc1cncc([C@@H]2CCCN2C)c1,(-)-5-ethynylnicotine_SIB-1765F_SIB-1508Y_Altinicline_,,,,,,,,
CHEMBL113150,D08AJ04_D11AC01_,2,5.39,0,1.8,1.8,None,None,336.4,0,1,0,0,18,NA,256.5,256.2999,1,1,0,0.31,N,13,FALSE,FALSE,FALSE,0,FALSE,0,CCCCCCCCCCCCCC[N+](C)(C)C.[Br-],Richmond_Anglian_Bansor_Ceanel_Cetrimide bromide_Bactrian_Cetavlon pc_Cetrimidum_Cradocap_Lissolamine v_Suticide_Quammonium_Tetradonium bromide_Toracsol_Cetavlex_Medicaid_Cetavlon_Cetrimide_,,,,,,,,
CHEMBL109648,,2,2.39,5,1.15,3.61,4.99,3.1,577.58,13,15,3,3,41,ACID,577.58,577.1492,2,2,200.11,0.21,N,11,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO,Axv-034_Clazosentan_AXV-034343_ACT-108475_Ro 61-1790_AXV-343434_Pivlaz_VML-588_RO-61-1790_,,,,,,,,
CHEMBL1152,A07EA01_H02AB06_D07AA03_S03BA02_D07XA02_R01AD02_S01BA04_S01CB02_C05AA04_S02BA03_,1,2.13,0,1.71,1.71,12.61,None,402.49,6,6,2,2,29,NEUTRAL,402.49,402.2042,0,0,100.9,0.7,N,3,TRUE,TRUE,TRUE,1,FALSE,0,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,Flo-pred_Meticortelone_Prednisolone acetate_Omnipred_Pred mild_Pred fte_Prednisoloni acetas_Sterane_Ultracortenol_Prednisolone Acetate_Econopred_Prednisolone 21-acetate_Pred forte_NSC-10966_,,,,,,,,
CHEMBL325109,A03FA06_,2,3.33,2,1.26,2.42,None,8.52,373.88,4,5,2,3,26,BASE,373.88,373.1557,0,0,67.59,0.79,N,5,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1,Clast_LAS 9273_LAS-9273_Cleprid_Clebopride hydrogen malate_Cleboril_Amicos_Clebopride_Clanzol_Clebopride malate_Clanzoflat_Motilex_,,,,,,,,
CHEMBL112570,,1,7.39,0,7.11,7.11,None,None,386.66,1,1,1,1,28,NEUTRAL,386.66,386.3549,1,1,20.23,0.49,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,Cholestrin_Cholesterol_Lidinit_Cholesterinum_NSC-8798_Dythol_Cholest-5-en-3-ol (3.beta.)-_Provitamin-d_Cholesterin_Lidinite_,,,,,,,,
CHEMBL325041,L01XG01_,1,None,None,None,None,None,None,384.25,None,None,None,None,None,NA,384.25,384.1969,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,LDP-341_Bortezomib hydrate_Bortezomib_NSC-681239_PS-341_Bortezomib accord_Velcade_,,,,,,,,
CHEMBL1159,,0,2.35,1,2.24,2.25,None,5.61,245.33,3,5,2,2,18,NEUTRAL,245.33,245.164,0,0,73.1,0.48,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C,Pinacidil_Pindac_,,,,,,,,
CHEMBL1161,D07AC13_D07XC03_R01AD09_R03BA07_,1,4.87,1,5.06,5.06,13.78,None,521.44,6,6,1,1,35,NEUTRAL,521.44,520.1419,1,1,93.81,0.45,N,4,FALSE,FALSE,TRUE,1,FALSE,0,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,LYR-210_Asmanex hfa_Mometasone furoate anhydrous_LAS-41002_SCH 32088_LAS41002_Asmanex twisthaler_NSC-760077_Nasonex_Elocon_Asmanex_Mometasone furoate_LYR210_Lyr-210_Mometasone furoate hydrate_Mometasone_Mometasone furoate monohydrate_Monovo_NSC-746171_SCH-32088_Sinuva_,,,,,,,,
CHEMBL1162,G03DC02_G03AC01_,1,3.49,0,3.22,3.22,None,None,298.43,2,2,1,1,22,NEUTRAL,298.43,298.1933,0,0,37.3,0.7,N,0,TRUE,FALSE,FALSE,0,FALSE,1,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,Norethisteronum_Femhrt_Jencycla_Norlutate_Utovlan_Noriday_Norethisteron_Menzol_Micronor hrt_Nor-qd_Errin_Primolut n_Heather_Camila_Norlutin_Norethindrone_NSC-9564_Triella_Calluna vulgaris whole_Anovule_Aygestin_Calluna vulgaris_Heather whole_Gestest_Norethidrone_Norethisterone_Micronor_Incassia_SC-4640_Activella_Combipatch_,,,,,,,,
CHEMBL1163,J05AE08_,1,4.21,3,4.54,4.54,11.92,4.42,704.87,9,13,5,5,51,NEUTRAL,704.87,704.3897,2,1,171.22,0.15,N,14,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,Reyataz_BMS-232632_Atazanavir_CGP-73547_,,,,,,,,
CHEMBL1165,C09AA13_,1,2.58,2,-0.08,1.5,3.46,5.2,498.58,7,9,2,2,36,ACID,498.58,498.2366,0,0,114.4,0.45,N,11,TRUE,FALSE,FALSE,1,FALSE,1,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O,Moexipril_RS-10085_Univasc_Uniretic_,,,,,,,,
CHEMBL1166,B01AE03_,0,0.91,1,-0.92,-0.92,3.39,11.8,508.65,6,11,6,7,35,ZWITTERION,508.65,508.2468,3,2,177.71,0.16,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1,Acova_GN1600_Argatroban monohydrate_DK-7419_Argatroban in sodium chloride_GN-1600_Argatroban hydrate_Argipidine_MCI-9038_Argatroban anhydrous_Argatroban_Argatroban in dextrose_MD-805_,,,,,,,,
CHEMBL324547,,1,4.07,3,4.05,4.05,13.24,4.31,498.59,6,9,3,3,37,NEUTRAL,498.59,498.2379,0,0,115.79,0.47,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,Netazepide_Sograzepide_YF-476_Yf476_,,,,,,,,
CHEMBL1167,J01XX04_,1,-2.93,0,-3.09,-2.2,8.66,9.17,332.35,9,9,5,5,23,BASE,332.35,332.1584,0,0,129.51,0.36,N,2,FALSE,TRUE,FALSE,0,FALSE,0,CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12,Trobicin_Prospec_CHX-3101_Adspec_Spectinomycin_Actinospectacin_,,,,,,,,
CHEMBL1168,C09AA05_,1,2.38,1,-0.18,1.47,3.75,5.2,416.52,5,7,2,2,30,ACID,416.52,416.2311,0,0,95.94,0.6,N,9,TRUE,FALSE,FALSE,1,FALSE,1,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21,Altace_HOE-498_Ecator_Tritace_Ramace_Pramace_Vesdil_Ramipres_Cardace_NSC-758933_Lopace_Triatec_Ramipril_C09AA05_Delix_Corpril_Hopace_HOE 498_Unipril_Ranace_,,,,,,,,
CHEMBL419213,C09AA03_,1,1.24,1,-3.18,-3.1,3.17,10.21,441.53,5,8,4,5,29,ZWITTERION,405.5,405.2264,0,0,132.96,0.38,N,12,TRUE,FALSE,FALSE,0,FALSE,1,NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O,MK-521_Prinivil_Ranolip_Lisinopril dihydrate_Acemin_Qbrelis_Zestril_Lisinopril hydrate_Carace_Lisopress_Lisinopril_,,,,,,,,
CHEMBL1169,J04AA01_,2,0.67,1,-2.23,0.83,3.68,2.19,153.14,3,4,3,4,11,ACID,153.14,153.0426,0,0,83.55,0.52,N,1,TRUE,FALSE,FALSE,0,FALSE,0,Nc1ccc(C(=O)O)c(O)c1,Pas_Rezipas_Aminosalicylic Acid_Granupas_4-aminosalicylic acid_Aminosalicylate_Benzoic acid, 4-amino-2-hydroxy-_Teebacin_NSC-2083_Aminosalicylic acid resin complex_Para-aminosalicylic acid_Paser_Paskalium_Parasal_Aminosalicylic acid_P-aminosalicylic acid_,,,,,,,
CHEMBL1170,G03BA03_,1,4.84,0,4.51,4.51,None,None,344.5,3,3,0,0,25,NEUTRAL,344.5,344.2351,0,0,43.37,0.67,N,2,FALSE,TRUE,FALSE,1,FALSE,0,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,Testosterone propionate_Virormone_Testosterone propionate ciii_Testosterone Propionate_Testosteroni propionas_NSC-9166_Orchisterone_Testosteron 17-propionate_NRB-03689_Testosterone 17.beta.-propionate_,,,,,,,,
CHEMBL117287,A06AX05_,2,2.09,1,-0.84,0.74,None,8.98,367.88,5,6,2,3,25,BASE,367.88,367.1663,0,0,76.82,0.59,N,6,TRUE,FALSE,FALSE,0,FALSE,0,COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1,R-093877_R093877_Prucalopride_Resolor_,,,,,,,,
CHEMBL1172,R06AX27_,2,4.02,2,1.69,3.97,None,9.73,310.83,2,2,1,1,22,BASE,310.83,310.1237,0,0,24.92,0.79,N,0,TRUE,FALSE,FALSE,0,FALSE,0,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,Opulis_SCH-34117_Azomyr_Descarboethoxyloratadine_Desloratadine actavis_Dasselta_Denosin_Loratadine related compound a_Desloratadine teva_Midetorin_Neoclarityn_NSC-759824_Clarinex_Aerius_Loratadine related compound a rs_SCH 34117_Allex_Desloratadine_,,,,,,,,
CHEMBL1174,B01AC16_,1,-1.84,2,-5.06,-5.06,3.97,11.45,831.98,11,20,11,13,57,ZWITTERION,831.98,831.3156,3,3,323.89,0.05,N,10,FALSE,TRUE,FALSE,0,FALSE,0,N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O,Eptifibatide_Integrilin_Integrelin_,,,,,,,,
CHEMBL333826,G01AC05_D08AH01_R02AA02_,2,6.17,4,-3.59,-3.59,None,None,456.68,2,4,2,4,34,NEUTRAL,456.68,456.3242,1,1,59.8,0.21,N,11,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,Dequalinium_Dequalinium cation_,,,,,,,,
CHEMBL1175,N06AX21_,1,4.63,3,1.94,4.2,None,9.7,297.42,3,2,1,1,21,BASE,297.42,297.1187,0,0,21.26,0.72,N,6,TRUE,FALSE,FALSE,0,FALSE,1,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1,LY248686_LY-248686_Duloxetine_Cymbalta_,,,,,,,,
CHEMBL1177,N06BA05_,0,0.6,1,0.8,0.8,None,None,176.18,3,4,1,2,13,NEUTRAL,176.18,176.0586,0,0,64.68,0.68,N,1,TRUE,FALSE,FALSE,0,TRUE,1,NC1=NC(=O)C(c2ccccc2)O1,NSC-169499_Tradon_Deltamin_Sistra_Pondex_Sigmadyn_Azoxodon_Pemoline_Cylert_Phenylisohydantoin_Volital_Hyton_YH-1_Centramin_Stimul_Tradone_Nitan_Kethamed_Fenoxazol_Okodon_NSC-25159_Azoksodon_Hyton asa_Pheniminooxazolidinone_Azoxodone_Stimulol_LA-956_Pemolin_Deltamine_Dantromin_Phenoxazole_Phenylpseudohydantoin_Ronyl_Pioxol_,,,,,,,,
CHEMBL119423,M04AA02_,2,0.59,0,-1.55,-0.46,5.48,0.13,152.18,4,4,2,1,10,ACID,152.18,152.0157,0,0,54.46,0.43,N,0,FALSE,FALSE,FALSE,0,FALSE,0,Sc1[nH]cnc2nncc1-2,Tisopurine_NSC-1392_Exuracid_,,,,,,,,
CHEMBL117785,N07XX06_,0,3.24,1,3.14,3.4,None,7.33,317.43,4,4,0,0,23,NEUTRAL,317.43,317.1991,0,0,38.77,0.85,N,4,TRUE,FALSE,FALSE,0,FALSE,1,COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2,Nitoman_Tetmodis_Xenazine 25_Revocon_Tetrabenazine_RO-1-9569_NSC-169886_RO 1-9569_RO-19569_Xenazine_,,,,,,,,
CHEMBL119385,,2,5.49,4,4.89,4.89,None,None,436.27,5,4,0,0,28,NA,436.27,434.9811,1,1,47.26,0.43,N,3,FALSE,FALSE,FALSE,0,FALSE,0,O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,VD-31745_VRT-031745_VX-745_VD-31,745_VD-31_Neflamapimod_745_Vx-745_,,,,,,,
CHEMBL71595,A01AB02_D11AX25_D08AX01_S02AA06_,2,0.02,0,-0.45,-0.45,11.52,None,34.01,2,2,2,2,2,NEUTRAL,34.01,34.0055,0,0,40.46,0.29,Y,0,FALSE,FALSE,TRUE,0,FALSE,0,OO,Hyrogen peroxide_Hydrogen Peroxide_Hydrogen peroxide solution_Hioxyl_A-101_Oxydol_Crystacide_Peroxyl_Eskata_Hydrogen peroxide_NSC-19892_,,,,,,,,
CHEMBL1184,,2,0.26,0,-4.22,-4.22,None,None,181.66,2,3,0,0,10,NEUTRAL,146.21,146.1176,0,0,26.3,0.42,Y,3,FALSE,FALSE,TRUE,0,FALSE,0,CC(=O)OCC[N+](C)(C)C.[Cl-],Acetylcholine chloride_Miphtel_Acetylcholine_Miochol-E_Acetylcholine chloride for injection_Miochol_Acetylcholine Chloride_Choline acetate (ester) chloride_Miochol-e_NSC-755845_,,,,,,,,
CHEMBL1185,N02CC03_,1,1.92,2,-0.09,2.04,13,9.55,287.36,3,5,2,2,21,BASE,287.36,287.1634,0,0,57.36,0.88,N,5,TRUE,FALSE,TRUE,0,FALSE,0,CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12,311C90_Zomig-zmt_Zolmitriptan_Zomig_311-C-90_NSC-760383_Cvt-427_,,,,,,,,
CHEMBL119443,G02AB03_,1,1.53,2,0.43,1.07,None,7.93,325.41,3,5,3,3,24,NEUTRAL,325.41,325.179,0,0,68.36,0.8,N,3,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,Ergostetrine_Ergometrine_Ergobasine_Ergotocine_,,,,,,,,
CHEMBL121626,M01AG02_,2,4.09,2,2.26,5.49,3.88,None,261.71,2,3,2,2,18,ACID,261.71,261.0557,0,0,49.33,0.87,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,N-(3-chloro-o-tolyl)anthranilic_Tolfenamic acid_Clotam rapid_Clotam_NSC-757873_,,,,,,,,
CHEMBL119549,,2,1.3,4,0.51,3,5.59,None,333.32,7,10,3,3,25,ACID,333.32,333.1087,0,0,138.02,0.51,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2nn[nH]n2)cc1,Cr2039_Andolast_,,,,,,,,
CHEMBL338975,,1,1.77,1,2.17,2.23,None,6.59,413.47,4,5,1,1,20,NEUTRAL,275.35,275.1634,0,0,44.81,0.85,N,1,FALSE,FALSE,FALSE,0,FALSE,0,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O,Physostigmine salicylate_Physostigmini salicylas_Physostigmine monosalicylate_Isopto eserine_Eserine salicylate_Antilirium_NSC-757275_,,,,,,,,
CHEMBL121663,,2,6.17,4,-3.59,-3.59,None,None,527.58,2,4,2,4,34,NEUTRAL,456.68,456.3242,1,1,59.8,0.21,N,11,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],Fluomizin_GNF-PF-5483_Decamine_Dequadin_Dekamin_Dequalinium chloride_NSC-166454_Nordman_Dequalinium dichloride_BAQD-10_Labosept_BAQD 10_Dequacets_,,,,,,,,
CHEMBL1190,,2,3.52,0,-4.87,-4.87,None,None,258.49,0,2,0,0,18,NA,258.49,258.3024,0,0,0,0.39,N,11,FALSE,TRUE,FALSE,0,FALSE,0,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,Decamethonium ion_Syncurine_Decamethonium_Decamethonium cation_,,,,,,,,
CHEMBL339427,M03AA02_,1,6.7,4,2.32,3.23,8.54,7.98,609.74,7,8,2,2,45,NEUTRAL,609.74,609.2959,2,2,80.62,0.24,N,2,FALSE,TRUE,FALSE,0,FALSE,0,COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C,D-tubocurarine_Tubocurarine_Tubocurarine ion_Tubocurarine cation_,,,,,,,,
CHEMBL338802,A07AB03_,2,-0.77,1,-0.92,-0.92,None,5.09,214.25,3,6,3,6,14,NEUTRAL,214.25,214.0524,1,0,124.56,0.34,N,2,FALSE,FALSE,FALSE,0,FALSE,0,NC(N)=NS(=O)(=O)c1ccc(N)cc1,Sulphaguanidine_Sulfaguanidine_Gppe susp fte_Guanimycin_NSC-14041_,,,,,,,,
CHEMBL1191,S01AB01_D06BA04_J01EB02_B05CA04_,2,1.23,2,-0.36,0.21,6.71,1.95,270.34,6,6,2,3,17,NEUTRAL,270.34,270.0245,0,0,97.97,0.82,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,Microsul_Sulfamethizole_Methazol_Tetracid_NSC-757327_Urolucosil_Sulphamethylthiadiazole_Proklar_Sulphamethizole_Thiosulfil_,,,,,,,,
CHEMBL124660,,2,5.03,3,2.71,4.34,None,9.03,562.72,8,10,1,1,41,BASE,562.72,562.3268,2,2,92.29,0.34,N,10,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1,Mln-0518_NSC-759851_Tandutinib_MLN-518_CT53518_CT 53518_CT-53518_,,,,,,,,
CHEMBL338604,,2,2.9,4,1.89,2.92,9.64,8.62,350.42,6,6,2,2,26,BASE,350.42,350.1743,0,0,69.87,0.52,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23,NSC-645809_,,,,,,,,
CHEMBL1193,D04AA16_R06AB05_,0,3.17,2,0.91,2.98,None,9.48,240.35,2,2,0,0,18,BASE,240.35,240.1626,0,0,16.13,0.8,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CN(C)CCC(c1ccccc1)c1ccccn1,Prophenpyridamine_Tripoton_Pheniramine_Pyriton_NSC-47965_Propheniramine_,,,,,,,,
CHEMBL1194,N01BB04_N01BB54_,0,2.32,1,1.25,2.68,13.51,8.82,220.32,2,3,2,2,16,BASE,220.32,220.1576,0,0,41.13,0.8,N,5,FALSE,TRUE,TRUE,0,FALSE,0,CCCNC(C)C(=O)Nc1ccccc1C,Citanest_ASTRA-1515_Prilocaine_NSC-40027_Propitocaine_ASTRA-1512_,,,,,,,,
CHEMBL1195,,2,2.56,1,1.03,2.6,None,8.96,294.4,5,5,1,2,21,BASE,294.4,294.1943,0,0,64.79,0.56,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,Propoxycaine_,,,,,,,,
CHEMBL1196,S01HA04_,2,2.56,1,1.03,2.6,None,8.96,294.39,5,5,1,2,21,BASE,294.39,294.1943,0,0,64.79,0.56,N,9,FALSE,FALSE,TRUE,0,FALSE,0,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N,Alcaine_Ophthetic_Proxymetacaine_Paracaine_Ophthaine_Kainair_Proparacaine_,,,,,,,,
CHEMBL1197,,0,3.15,1,1.43,3.83,None,9.87,261.36,3,3,1,1,19,BASE,261.36,261.1729,0,0,38.33,0.83,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CC(CNC1CCCCC1)OC(=O)c1ccccc1,Osmocaine_Hexylcaine_Cyclaine_,,,,,,,,
CHEMBL1198,D04AB07_C05AD07_,2,2.97,1,2.68,2.84,None,7.06,293.41,4,4,0,0,21,NEUTRAL,293.41,293.1991,0,0,30.93,0.66,N,9,FALSE,FALSE,TRUE,0,FALSE,0,CCCCOc1ccc(OCCCN2CCOCC2)cc1,Pramocaine_Pramoxine_,,,,,,,,
CHEMBL1200,D04AB03_S01HA02_,2,2.95,1,1.48,3.05,None,8.96,308.42,5,5,1,2,22,BASE,308.42,308.21,0,0,64.79,0.41,N,10,FALSE,FALSE,TRUE,0,FALSE,0,CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N,Oxybuprocaine_Dorsacain_Oxybucaine_Benoxinate_Conjucain_Monofree oxybuprocaine_,,,,,,,,
CHEMBL127071,,1,1.52,1,-2.03,0.83,None,10.47,192.26,3,3,1,1,14,BASE,192.26,192.1263,0,0,34.15,0.79,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ncccc1OC[C@@H]1CCCN1,A-870890_ABT-089_Pozanicline_A-87089.0_,,,,,,,,
CHEMBL1201,N05AF04_,2,3.47,2,2.54,3.36,None,8.16,443.64,5,5,0,0,30,NEUTRAL,443.64,443.1701,0,0,43.86,0.6,N,5,TRUE,TRUE,FALSE,0,FALSE,1,CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,P-4657 B_P-4657B_Thiothixene cis-isomer_Orbinamon_Cis-thiothixene_Navane_(z)-thiothixene_CP-12252-1_Tiotixene_Thiothixene_NSC-108165_,,,,,,,,
CHEMBL126224,N06AA13_,2,4.25,2,2.24,4.48,None,9.66,284.45,2,2,0,0,21,BASE,284.45,284.2252,0,0,8.17,0.81,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CN(C)CCCn1c2c(c3ccccc31)CCCCCC2,WY-3263_Pramindole_Prondol_Galatur_NSC-169449_Tertran_Iprindole_,,,,,,,,
CHEMBL1202,,2,1.58,2,-0.85,-0.85,5.56,8.68,367.81,5,6,2,2,24,ZWITTERION,331.35,331.1332,0,0,74.57,0.89,N,3,TRUE,FALSE,TRUE,0,FALSE,1,Cl.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,Ciprofloxacini hydrochloridum_BAY O 9867_Ciprobay_Ciproxan_BAY-O-9867 MONOHYDRATE_Flociprin_Cipro_Proquin_Ciprofloxacin (as hydrochloride)_Ciloxan_Proquin xr_Cetraxal_Ciproxin_BAY-O-9867_Ciprofloxacin hydrochloride monohydrate_Ciprofloxacin hcl_Ciprofloxacin hydrochloride hydrate_Ciflox_BAY O 9867 MONOHYDRATE_Ciprofloxacin hydrochloride_,,,,,,,,
CHEMBL1205,,1,4.75,2,4.09,4.72,9.32,8.18,663.9,6,7,4,4,40,NEUTRAL,567.8,567.3131,1,1,101.9,0.33,N,9,TRUE,FALSE,FALSE,0,FALSE,0,CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,Nelfinavir methanesulfonate_AG1343_Nelfinaviri mesilas_AG-1343_Viracept_Nelfinavir mesilate_Nelfinavir mesylate_,,,,,,,,
CHEMBL1206,N04AA05_,0,5.02,2,2.82,5,None,9.6,312.48,3,2,0,0,22,BASE,312.48,312.166,1,1,6.48,0.77,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21,Ethopropazine_Profenamine_Parsidol_,,,,,,,,
CHEMBL1208,J01MB06_,2,0.84,2,-0.72,1.72,4.93,None,262.22,6,7,1,1,19,ACID,262.22,262.059,0,0,90.65,0.86,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,NSC-304467_Cinobac_64716_Cinoxacin_,,,,,,,,
CHEMBL132530,L02BG02_,1,3.97,0,3.4,3.41,9.21,None,302.41,3,3,1,1,22,NEUTRAL,302.41,302.1882,0,0,54.37,0.74,N,0,FALSE,FALSE,FALSE,0,FALSE,0,C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O,NSC-282175_4-oh-androstene-3,17-dione_CGP 32349_CGP-32349_Formestane_Lentaron_,,,,,,,
CHEMBL334966,B01AC25_,0,2.85,2,-5.25,-0.6,0.79,4.94,776.37,15,17,7,7,44,ACID,776.37,774.9483,3,3,255.91,0.05,N,15,FALSE,TRUE,FALSE,0,FALSE,0,CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O,Cangrelor_AR-C69931XX_,,,,,,,,
CHEMBL129857,,2,3.01,3,3.64,3.64,13.91,3.9,366.4,7,7,1,1,26,NEUTRAL,366.4,366.0787,0,0,84.42,0.71,N,4,FALSE,FALSE,FALSE,0,FALSE,0,COc1cccc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c12,As-602868_SPC-839_,,,,,,,,
CHEMBL1214,J01CA03_,0,0.49,1,-5.91,0.82,3.11,None,378.41,5,8,3,3,26,ACID,378.41,378.0886,0,0,124.01,0.5,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,Geocillin_Carbenicillin_Geopen_Pyopen_,,,,,,,,
CHEMBL1215,R01AA04_R01BA53_R01BA03_S01FB01_S01GA05_C01CA06_S01GA55_R01AB01_,1,0.65,1,-1.35,-0.07,9.07,9.69,167.21,3,3,3,3,12,BASE,167.21,167.0946,0,0,52.49,0.62,Y,3,TRUE,TRUE,TRUE,0,FALSE,0,CNC[C@H](O)c1cccc(O)c1,M-oxedrine_Duo-Medihaler_Cyclomydril_Metasynephrine_M-sympathol_M-sympatol_Phenylephrine minims_Phenylephrine, (r)-_J8.601K_Meta-synephrine_Phenylephrine_(-)-phenylephrine_M-synephrine_AB-101 (PHENYLEPHRINE)_(r)-phenylephrine_R(-)-mezaton_,,,,,,,
CHEMBL1218,N05CH02_,1,2.57,1,2.57,2.57,None,None,259.35,2,3,1,1,19,NEUTRAL,259.35,259.1572,0,0,38.33,0.9,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,Ramelteon_TAK-375_Rozerem_TAK375_,,,,,,,,
CHEMBL1219,A02BC04_A02BC54_,0,2.99,3,2.09,2.09,9.35,4.24,359.45,5,6,1,1,25,NEUTRAL,359.45,359.1304,0,0,77.1,0.63,N,8,TRUE,FALSE,FALSE,0,FALSE,0,COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C,E3810_Ly-307640_Pariprazole_Rabeprazole_LY307640_LY-307640_Eraloc_Aciphex_E-3810 (PPI)_,,,,,,,,
CHEMBL1220,P01AB02_J01XD02_,2,0.53,1,-0.58,-0.58,None,3.28,247.28,6,7,0,0,16,NEUTRAL,247.28,247.0627,0,0,95.1,0.56,N,5,TRUE,FALSE,FALSE,1,FALSE,1,CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C,Haisigyn_Symplotan_Tindamax_Trimonase_CP-12,574_Fasigin_NSC-758189_Tricolam_CP-12574_Tinidazole_Fasigyn_,,,,,,,
CHEMBL1221,D01AC09_,0,6.52,3,6.02,6.06,None,6.51,397.76,3,2,0,0,24,NEUTRAL,397.76,396.0022,1,1,17.82,0.47,N,6,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,Sulconazole_Exelderm_,,,,,,,,
CHEMBL135400,N05CF01_,0,1.57,2,0.59,0.52,8.04,6.86,388.82,7,9,0,0,27,NEUTRAL,388.82,388.1051,0,0,91.76,0.77,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,Zileze 7.5_RP 27267_Imovane_Zimovane ls_Zopiclone_RP-27267_Zimovane_Zileze 3.75_NSC-758463_Amoban_,,,,,,,,
CHEMBL1223,,1,0.86,1,-2.29,1.08,3.53,None,372.49,4,6,2,2,23,ACID,334.4,334.0987,0,0,86.71,0.8,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+],NSC-131815_Pentids '200'_Penicillin-2_Pentids '250'_Pentids '400'_Pentids '800'_Penicillin potassium g, crystalline_Cilloral_Scotcil_Benzylpenicillin potassium_Penicillin_Penicillin g potassium_E705_Pfizerpen_Pfizerpen G_Pfizerpen g_Penicillin g potassium salt_Penicillin G Potassium_Pentids_Liquapen_,,,,,,,
CHEMBL1224,R06AX18_,2,4.02,2,1.69,1.71,3.5,8.63,348.45,3,4,1,1,26,ZWITTERION,348.45,348.1838,0,0,53.43,0.8,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1,Semprex_BW 825C_Benadryl allgy relief plus decongest_Acrivastine_BW-825C_,,,,,,,,
CHEMBL344159,C03XA01_,0,5.68,3,5.35,5.35,None,None,448.95,3,5,2,2,32,NEUTRAL,448.95,448.1554,1,1,69.64,0.54,N,3,TRUE,FALSE,FALSE,0,FALSE,1,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1,Jynarque_Jinarc_Samsca_OPC-41061_OPC-41061(TOLVAPTAN)_Tolvaptan_,,,,,,,,
CHEMBL1228,,0,3.49,2,1.83,3.83,4.73,None,324.38,3,5,1,1,24,ACID,324.38,324.1474,0,0,60.85,0.86,N,5,TRUE,FALSE,FALSE,0,TRUE,0,CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,Oxyphenbutazone_Tandearil_,,,,,,,,
CHEMBL1229,J05AH02_,1,1.29,0,-0.72,1.16,None,9.31,312.41,5,6,2,3,22,BASE,312.41,312.2049,0,0,90.65,0.69,N,7,TRUE,FALSE,FALSE,1,FALSE,0,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,RO 640796_GS-4104_GS-4071 ETHYL ESTER_RO64-0796_RO-640796_RO-64-0796_GS4104_GS 4104_Oseltamivir Carboxylate_Oseltamivir_,,,,,,,,
CHEMBL139367,J05AH03_,1,-0.14,0,-2.12,-2.12,4.09,12.46,328.41,4,8,6,7,23,ZWITTERION,328.41,328.2111,1,1,148.53,0.28,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N,Peramivir_RWJ-270201_,,,,,,,,
CHEMBL1231,G04BD04_,0,3.34,1,3.06,4.44,11.53,8.77,357.49,4,4,1,1,26,BASE,357.49,357.2304,0,0,49.77,0.6,N,7,TRUE,FALSE,TRUE,0,FALSE,0,CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,Contimin 2.5_Kentera_Anturol_Ditropan_Oxybutynin_Contimin 5_Ditropan xl_Oxytrol_Urimin_Lyrinel xl_Cystrin_Promictuline_Oxytrol for women_,,,,,,,,
CHEMBL1232,,1,0.94,1,-6.07,-3.23,3.22,9.03,497.51,7,10,5,5,33,ZWITTERION,475.52,475.1413,0,0,156.27,0.36,N,7,FALSE,TRUE,FALSE,0,FALSE,0,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12.[Na+],Ertapenem sodium_MK-0826_Invanz_L-749345_Ertapenem sodium salt_MK-826_,,,,,,,,
CHEMBL1233,M03BA72_M03BA02_M03BA52_,0,2.02,0,1.92,1.92,None,None,260.33,4,6,2,3,18,NEUTRAL,260.33,260.1736,0,0,90.65,0.73,N,7,TRUE,FALSE,FALSE,0,TRUE,0,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,Soma_Rela_NSC-172124_Carisoma_Carisoprodol_Carisoprodol civ_,,,,,,,,
CHEMBL1234,,2,0.92,0,-3.64,-3.37,7.92,10.21,656.8,9,14,6,7,39,BASE,560.69,560.3534,3,2,205.84,0.06,N,23,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,Deferoxamine mesilate_Desferrioxamine mesylate_Desferrioxamine mesilate_Desferal Mesylate_Deferoxamine methanesulfonate_NSC-756718_Desferrioxamine Mesylate_Deferoxamini mesilas_Deferoxamine mesylate_BA-33112_Desferal_,,,,,,,,
CHEMBL1237,,1,1.24,1,-3.18,-3.1,3.17,10.21,405.5,5,8,4,5,29,ZWITTERION,405.5,405.2264,0,0,132.96,0.38,N,12,TRUE,FALSE,FALSE,0,FALSE,1,NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O,MK-521_Prinivil_NSC-751176_Zestril_NSC-758151_Lisinopril_,,,,,,,,
CHEMBL1238,D10AX03_,2,1.89,0,-3.65,1.82,4.15,None,188.22,2,4,2,2,13,ACID,188.22,188.1049,0,0,74.6,0.57,N,8,FALSE,FALSE,TRUE,0,FALSE,0,O=C(O)CCCCCCCC(=O)O,Lepargylic acid_ZK 62498_ZK-62498_Skinoren_NSC-19493_Azelex_Anchoic acid_Azelate_Azelaic acid_Finacea_,,,,,,,,
CHEMBL1239,P03AX01_,2,3.04,2,3.7,3.7,None,None,212.25,2,2,0,0,16,NA,212.25,212.0837,0,0,26.3,0.73,N,3,FALSE,FALSE,TRUE,0,FALSE,0,O=C(OCc1ccccc1)c1ccccc1,NSC-8081_Ascabiol_Mange Treatment_Scabiozon_Benzyl benzoate_Venzonate_Vanzoate_Benzylis benzoas_Scabanca_Benzoic acid, benzyl ester_FEMA NO. 2138_Benzyl Benzoate_,,,,,,,
CHEMBL1240,,2,4.73,2,0.36,0.36,None,None,448.4,3,4,0,0,27,NEUTRAL,368.5,368.222,0,0,35.53,0.55,N,6,TRUE,TRUE,FALSE,0,FALSE,0,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-],Pro-banthine_NSC-757294_Propantheline bromide_Propantheline Bromide_,,,,,,,,
CHEMBL1241,R06AC04_D04AA04_,2,2.65,2,1.82,3.2,None,8.76,255.37,3,3,0,0,19,BASE,255.37,255.1735,0,0,19.37,0.79,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCN(Cc1ccccc1)c1ccccn1,NSC-118946_PBZ-SR_PBZ_Tripelennamine_,,,,,,,,
CHEMBL1242,G04BX06_,2,2.66,2,2.58,2.69,None,6.86,213.24,5,5,2,4,16,NEUTRAL,213.24,213.1014,0,0,89.65,0.75,N,2,TRUE,FALSE,FALSE,0,FALSE,0,Nc1ccc(/N=N/c2ccccc2)c(N)n1,NSC-145895_Phenazopyridine_,,,,,,,,
CHEMBL141305,G03GB01_,2,5.3,2,4.86,4.86,None,None,364.44,4,4,0,0,27,NEUTRAL,364.44,364.1675,1,1,52.6,0.55,N,4,FALSE,FALSE,FALSE,0,TRUE,0,CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1,ICI 48213_F 6066_Rehibin_F-6066_Cyclofenil_Neoclym_Sexovid_NSC-86464_ICI-48213_,,,,,,,,
CHEMBL139877,,2,-0.37,1,-1.53,-0.59,4.4,2.1,215.23,4,6,3,5,14,ACID,215.23,215.0365,0,0,115.28,0.58,N,2,FALSE,FALSE,FALSE,0,TRUE,0,NC(=O)NS(=O)(=O)c1ccc(N)cc1,Sulfacarbamide_Euvernil_Sulfaurea_Urosulfan_Urenil_Sulphaurea_Uromide_NSC-78438_Uramid_Uractyl_N-sulfanilylcarbamide_,,,,,,,,
CHEMBL1243,,2,1.39,2,0.65,1.59,4.32,2.09,276.32,4,5,2,3,19,ACID,276.32,276.0569,0,0,89.26,0.83,N,3,FALSE,FALSE,TRUE,0,FALSE,0,Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,Triple sulfa (sulfabenzamide)_Sulfabenzamide_NSC-74587_Sulfabenzamide (triple sulfa)_,,,,,,,,
CHEMBL142703,A10BH02_,0,1.17,0,-1.85,-0.22,None,9.03,303.41,4,5,2,2,22,BASE,303.41,303.1947,0,0,76.36,0.82,N,3,FALSE,FALSE,FALSE,0,FALSE,0,N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2,Vildagliptin_LAF 237_NVP-LAF237_LAF237_NVP-LAF 237_LAF-237_Galvus_Vitagliptin_,,,,,,,,
CHEMBL1245,,0,3.66,2,2.32,2.32,None,None,596.82,1,3,0,0,26,NEUTRAL,365.52,365.1682,0,0,23.55,0.6,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1,Arfonad_NU-2222_Trimetaphan camsilate_Trimethaphan camphorsulfonate_Trimethaphan Camsylate_Trimethaphan camsylate_Trimetaphan camsylate_,,,,,,,,
CHEMBL139835,G03HA01_,1,4.61,0,3.64,3.64,None,None,416.95,4,4,0,0,29,NEUTRAL,416.95,416.1754,0,0,60.44,0.62,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,SH 714_Diane_Androcur 10_Cyproterone_Cyproterone acetate_Cyprostat_SH-714_NSC-81430_Androcur_,,,,,,,,
CHEMBL1251,H01CC01_,1,None,None,None,None,None,None,1570.35,None,None,None,None,None,NA,1570.35,1568.8423,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC/N=C(\NCC)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN/C(=N/CC)NCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,Ganirelix_Ganirelix acetate_RS-26306-298_RS-26306_Orgalutran_Ganirest_Ganirelix Acetate Injection_,,,,,,,,
CHEMBL415606,L02BX02_,1,None,None,None,None,None,None,1632.29,None,None,None,None,None,NA,1632.29,1630.7488,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,Degarelix_FE200486 (AS ACETATE SALT)_Firmagon_,,,,,,,,
CHEMBL1252,L02BX01_,1,None,None,None,None,None,None,1416.09,None,None,None,None,None,NA,1416.09,1414.6841,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,1,CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,R382_PPI-149_Plenaxis_R-3827_Abarelix_R3827_R-382_,,,,,,,,
CHEMBL1255,,2,-0.18,0,-0.47,-0.47,None,None,30.03,1,1,0,0,2,NA,30.03,30.0106,0,0,17.07,0.36,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,C=O,Superlysoform_E240_Formaldehyde_Formalin_Formaldehyde solution_Dowling's_NSC-298885_Formic aldehyde_Lysoform_Veracur_Oxymethylene_Paraform_Formalinum_,,,,,,,,
CHEMBL1256,N01AB06_,0,2.35,0,2.84,2.84,None,None,184.49,1,1,0,0,10,NEUTRAL,184.49,183.9714,0,0,9.23,0.47,Y,2,FALSE,FALSE,TRUE,0,FALSE,0,FC(F)OC(Cl)C(F)(F)F,Aerrane_COMPOUND-469_Forane_COMPOUND 469_Isoflurane_,,,,,,,,
CHEMBL1257,N01AB04_,0,2.35,0,2.8,2.8,None,None,184.49,1,1,0,0,10,NEUTRAL,184.49,183.9714,0,0,9.23,0.48,Y,3,FALSE,FALSE,TRUE,0,FALSE,0,FC(F)OC(F)(F)C(F)Cl,R-E-235CA2_Alyrane_Efrane_Anesthetic Compound No. 347_NSC-115944_ANESTHETIC COMPOUND NO. 347_Methylflurether_Ethrane_Compound 347_Ohio 347_Enflurane_,,,,,,,,
CHEMBL1259,,1,7.45,4,-1.85,-1.85,12.99,None,652.83,6,8,0,0,48,NEUTRAL,652.83,652.3501,2,2,55.38,0.21,N,4,FALSE,TRUE,FALSE,0,FALSE,0,COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3,Metocurine ion_Dimethyltubocurarinium_Metocurine_Dimethyltubocurarine_Dimethyl tubocurarine_Metocurine cation_,,,,,,,,
CHEMBL144673,G01AX16_A01AB12_,0,4.71,0,4.06,5.74,None,9.08,339.61,3,3,1,2,24,BASE,339.61,339.3613,0,0,32.5,0.56,N,12,FALSE,FALSE,FALSE,0,FALSE,0,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,Sterisil_Oraldene_Hexetidine_Hexopyrimidine_NSC-17764_,,,,,,,,
CHEMBL1262,G01AF17_D01AC11_,2,6.12,3,5.78,5.84,None,6.74,429.13,4,4,0,0,26,NEUTRAL,429.13,426.9813,1,1,39.41,0.35,N,6,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,Oxizole_Oxistat_Oxiconazole_,,,,,,,,
CHEMBL1263,R03AC12_,0,4.11,2,1.95,3.61,10.12,9.4,415.57,5,5,4,4,30,BASE,415.57,415.2723,0,0,81.95,0.31,N,16,FALSE,FALSE,TRUE,0,FALSE,1,OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,Salmeterol_GR-33343X_NSC-272693_GR-33343-X_GR 33343 X_Serevent_Soltel_Salmaterol_Vertine_Neovent_Beglan_Cryogenine_SN408D_,,,,,,,,
CHEMBL146032,,1,6.72,1,5.17,5.17,11.81,None,508.53,3,3,1,1,36,NEUTRAL,508.53,508.2037,2,2,54.37,0.36,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,ZK 230211_Zk-230211_BAY86-5044_ZK-230211_Lonaprisan_,,,,,,,,
CHEMBL1265,D10AD53_D10AD03_,2,6.68,3,3.29,6.46,3.99,None,412.53,2,3,1,1,31,ACID,412.53,412.2038,1,1,46.53,0.52,N,4,FALSE,FALSE,TRUE,0,FALSE,0,COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2,Differin_Adapalene_CD 271_CD-271_,,,,,,,,
CHEMBL146506,,2,6.31,2,6.81,6.88,None,6.66,433.64,3,3,0,0,32,NEUTRAL,433.64,433.2981,1,1,21.7,0.5,N,6,FALSE,FALSE,FALSE,0,FALSE,0,C/C(=C\c1ccc(OCCN2CCOCC2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C,RO 40-8757_Ro-408757_Mofarotene_,,,,,,,,
CHEMBL1266,S01GA52_R01AA06_R01AB03_S01GA02_,0,2.11,1,-0.02,2.24,None,10.17,200.28,2,2,1,1,15,BASE,200.28,200.1313,0,0,24.39,0.74,Y,1,FALSE,FALSE,TRUE,0,FALSE,0,c1ccc2c(c1)CCCC2C1=NCCN1,Tetryzoline_Tyzine_Tetrahydrozoline_Caltheon_,,,,,,,,
CHEMBL343448,L01XH02_,1,1.43,0,1.08,1.08,10.67,None,540.71,8,10,4,4,36,NEUTRAL,540.71,540.2076,1,1,142.7,0.18,N,2,FALSE,TRUE,FALSE,1,FALSE,0,C/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O,Depsipeptide_Istodax_FK-228_FK228_FR-901228_Romidepsin_FR901228_Chromadax_NSC-630176_,,,,,,,,
CHEMBL1271,,2,2.64,0,-6.28,-6.28,None,None,240.44,0,2,0,0,17,NA,240.44,240.2555,0,0,0,0.49,N,6,FALSE,TRUE,FALSE,0,FALSE,0,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,Pentolonium_Pentolinium ion_Pentolinium cation_Pentolinium_Ansolysen_,,,,,,,,
CHEMBL424133,,2,3.76,3,1.61,5.59,3.87,0.57,409.49,6,7,2,2,30,ACID,409.49,409.2002,0,0,97.47,0.56,N,9,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nc2O)cc1,KB-68984_LY-674_LY518674_Ly-518674_,,,,,,,,
CHEMBL1272,A10BX02_,1,5.22,2,1.95,3.95,3.68,4.82,452.6,4,6,2,2,33,ACID,452.6,452.2675,1,1,78.87,0.52,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,Novonorm_AG-EE-623ZW_Prandin_NSC-759893_Repaglinide_AGEE-623ZW_AG-EE 623 ZW_A10BX02_AG-EE-623-ZW_Enyglid_,,,,,,,,
CHEMBL1274,L02BB02_,2,2.45,1,2.25,2.25,None,None,317.22,4,7,1,1,22,NEUTRAL,317.22,317.0623,0,0,92.55,0.51,N,2,TRUE,FALSE,FALSE,0,FALSE,1,CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,NSC-758683_Nilutamide_RU-23908_Nilandron_RU 23908_Anadron_,,,,,,,,
CHEMBL1275,,1,4.27,2,2.15,4.23,None,9.49,410.61,2,2,1,1,22,BASE,314.5,314.1817,0,0,19.03,0.91,N,4,TRUE,FALSE,FALSE,0,TRUE,0,CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O,NSC-319773_LY-127809_Permax_Pergolide methanesulfonate_Celance_Pergolide mesilate_Pergolide mesylate_LY 127809_NSC-758442_,,,,,,,,
CHEMBL1278,N02CC02_,2,2.07,2,-0.34,1.44,11.55,9.18,335.47,3,5,2,2,23,BASE,335.47,335.1667,0,0,65.2,0.88,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,Naratriptan_Amerge_,,,,,,,,
CHEMBL1279,N02CC07_,1,1.34,2,-1.74,1.08,None,10.42,243.31,2,4,3,4,18,BASE,243.31,243.1372,0,0,70.91,0.74,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1,Allergo filmtabletten_Migard_Frovatriptan_Mylatrip_Frova_,,,,,,,,
CHEMBL346631,,2,5.03,4,4.2,4.26,11.11,6.58,525.65,6,7,1,1,39,NEUTRAL,525.65,525.2628,2,2,72.8,0.22,N,9,FALSE,FALSE,FALSE,1,FALSE,0,CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCOC(=O)CN(C)C)Cc1ccccc1-4)C(=O)NC3,CEP-7055_Cep-7055_,,,,,,,,
CHEMBL1280,,0,5.09,2,2.79,5.04,None,9.68,491.07,6,6,0,0,33,BASE,454.61,454.2832,1,1,63.95,0.42,N,13,TRUE,TRUE,FALSE,0,FALSE,0,COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl,Vertab sr 240_NSC-657799_Isoptin_Verapamil hcl_Verelan_Manidon sr_Isoptin Sr_Verapamili hydrochloridum_Verelan pm_Univer_Cordilox i.v._Vera-til sr_Ethimil mr 240_Calan_Verapamil hydrochloride_Securon mid_Berkatens_LU-20175_Securon sr_Securon_CP-16533-1_Half securon sr_Cordilox_NSC-272366_Calan sr_Geangin_Ranvera mr_Covera-hs_Verapress mr 240_Cordilox mr 240_Covera_Zolvera_Securon iv_,,,,,,,,
CHEMBL149972,,2,0.7,1,0.96,1.41,7.14,None,254.22,3,5,2,2,17,NEUTRAL,232.24,232.0848,0,0,75.27,0.74,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CCC1(c2ccccc2)C(=O)[N-]C(=O)NC1=O.[Na+],Phenobarbitalum natricum_Phenobarbital Sodium_Gardenal sodium_Phenobarbital sodium_Luminal sodium_Phenobarbital sod_Phenobarbital sodium salt_Sodium phenobarbital_Sodium Phenobarbital_Gardenal sod_,,,,,,,,
CHEMBL150894,,2,4.92,4,3.92,3.92,10.86,None,440.54,4,5,2,2,33,NEUTRAL,440.54,440.21,0,0,63.49,0.39,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3,CEP-5214_Cep-5214_,,,,,,,,
CHEMBL1282,D06BB10_,2,2.82,3,2.65,2.65,None,5.01,240.31,4,4,1,2,18,NEUTRAL,240.31,240.1375,0,0,56.73,0.75,N,2,FALSE,FALSE,TRUE,0,FALSE,1,CC(C)Cn1cnc2c(N)nc3ccccc3c21,NSC-759651_NSC-369100_S26308_Imiquimod_Zyclara_R-837_S-26308_Aldara_,,,,,,,,
CHEMBL1286,N03AX14_,1,-0.13,0,-0.59,-0.59,None,None,170.21,2,4,1,2,12,NEUTRAL,170.21,170.1055,0,0,63.4,0.64,N,3,TRUE,TRUE,FALSE,0,FALSE,0,CC[C@@H](C(N)=O)N1CCCC1=O,Levetiracetam actavis_Levetiracetame_AGB-101_UCB-22059_Levetiracetam in sodium chloride_Elepsia xr_Keppra_UCB L059_Levetiracetam accord_Levetiracetam teva_Matever_Levetiracetam hospira_Elepsia_Levetiracetam_Keppra xr_Spritam_N03AX14_UCB 22059_UCB-L059_Levetiracetam sun_Desitrend_NSC-760119_,,,,,,,,
CHEMBL356388,,2,2.44,2,2.18,2.18,None,4.76,289.34,7,7,1,1,21,NEUTRAL,289.34,289.1539,0,0,81.4,0.52,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C,Etazolate_SQ-20009_EHT-0202_,,,,,,,,
CHEMBL1289,D01AE11_,2,4.42,1,4.85,4.85,None,None,361.39,1,1,0,0,14,NEUTRAL,361.39,359.8372,0,0,9.23,0.43,N,2,FALSE,FALSE,TRUE,0,FALSE,0,Clc1cc(Cl)c(OCC#CI)cc1Cl,Halotex_Haloprogin_NSC-100071_M-1028_Mycanden_,,,,,,,,
CHEMBL1290,C07AA23_,1,3.47,1,1.24,3.55,None,9.76,291.44,3,3,2,2,21,BASE,291.44,291.2198,0,0,41.49,0.84,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1,Levatol_Penbutolol_,,,,,,,,
CHEMBL1291,S01ED04_S01ED54_,0,2.27,1,0.52,2.74,None,9.67,309.41,5,5,2,2,22,BASE,309.41,309.194,0,0,67.79,0.6,N,7,FALSE,FALSE,TRUE,0,TRUE,0,CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C,VUAB-6453_Metipranolol_Optipranolol_VUAB6453_D,l-metipranolol_BM-01.004_VUAB6453 (SPOFA)_BM01.004_BM-01004_Glauline_,,,,,,,
CHEMBL1294,C01BA01_C01BA51_C01BA71_,1,3.17,2,0.86,2.51,13.89,9.05,324.42,4,4,1,1,24,BASE,324.42,324.1838,0,0,45.59,0.88,N,4,TRUE,TRUE,FALSE,0,FALSE,1,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,Pitayine_Quinidine_.beta.-quinidine_Conquinine_(8r,9s)-quinidine_Kinidin_,,,,,,,
CHEMBL1295,G01AF15_,0,6.64,3,6.51,6.55,None,6.51,411.79,3,2,0,0,25,NEUTRAL,411.79,410.0178,1,1,17.82,0.41,N,7,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,Gynazole-1_NSC-758658_Gynofort_Butoconazole_,,,,,,,,
CHEMBL1296,J01DC07_,1,-0.65,2,-3.11,-3.09,2.84,8.34,525.64,13,13,3,4,34,ACID,525.64,525.1035,2,2,172.46,0.26,N,10,FALSE,TRUE,FALSE,0,FALSE,0,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1,Cefotiam_J01DC07_Aspil_Ceradon_,,,,,,,,
CHEMBL154111,N02BA06_,2,2.31,2,0.23,3.64,3.4,None,258.23,4,5,2,2,19,ACID,258.23,258.0528,0,0,83.83,0.65,N,3,FALSE,FALSE,FALSE,1,FALSE,1,O=C(Oc1ccccc1C(=O)O)c1ccccc1O,Disalcid_Salicylsalicylic acid_Disalicyclic acid_Salsalate_Sasapyrine_NSC-49171_,,,,,,,,
CHEMBL1297,M01AE04_,0,3.67,2,0.47,3.65,3.96,None,242.27,2,3,1,1,18,ACID,242.27,242.0943,0,0,46.53,0.89,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,Nalfon_Fenoprofen_Progesic_53858_NSC-757813_LILLY-53858_,,,,,,,,
CHEMBL345714,C10AD06_,2,-0.28,1,-4.98,-2.89,0.31,4.29,154.12,3,5,1,1,11,ACID,154.12,154.0378,0,0,77.13,0.45,N,1,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cnc(C(=O)O)c[n+]1[O-],Olbetam_NSC-759818_Acipimox_,,,,,,,,
CHEMBL157101,D01AC08_G01AF11_H02CA03_J02AB02_,0,4.21,3,4.16,4.19,None,6.42,531.44,7,8,0,0,36,NEUTRAL,531.44,530.1488,1,1,69.06,0.46,N,7,TRUE,FALSE,TRUE,0,FALSE,1,CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,Ketozole_Xolegel_Ketosidin_Nizorelle_NSC-317629_Panfungol_Ketoconazolum_Dandrid_Daktarin intensiv_Nizoral a-d_R 41,400_Nizoral_Ketopine_Dandrazol_Daktarin gold_R-41400_Nizoral anti-dandruff_Ketoconazole_J02AB02_Extina_,,,,,,,
CHEMBL170,M09AA72_P01BC01_,1,3.17,2,0.86,2.51,13.89,9.05,324.42,4,4,1,1,24,BASE,324.42,324.1838,0,0,45.59,0.88,N,4,TRUE,FALSE,FALSE,0,FALSE,1,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,NSC-192949_Chininum purum_(8s,9r)-6'-methoxycinchonan-9-ol_WR297608_Quinine_Rezquin_,,,,,,,
CHEMBL1301,,2,2.13,2,-1.72,1.24,8.22,12.14,280.33,3,5,5,7,21,BASE,280.33,280.1324,1,0,119.97,0.33,N,4,FALSE,TRUE,FALSE,0,FALSE,0,N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1,Hydroxystilbamidine_,,,,,,,,
CHEMBL1303,N04BC09_,1,4.27,2,2.21,4.34,10.03,10.97,315.48,3,2,1,1,22,BASE,315.48,315.1657,0,0,23.47,0.86,N,6,FALSE,FALSE,TRUE,0,FALSE,0,CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,Leganto_SPM 962_Neupro_Rotigotine_SPM-962_,,,,,,,,
CHEMBL349803,C03CA03_,2,2.42,2,-0.41,2.25,4.68,None,362.41,5,7,2,3,25,ACID,362.41,362.0936,0,0,109.93,0.85,N,5,FALSE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1,Arelix_HOE 118_HOE-118_S 73 4118_Arlix_S-734118_S-73-4118_Piretanide_,,,,,,,,
CHEMBL1305,R01AC04_R06AX05_,2,2.69,2,1.13,2.88,None,9.24,265.36,3,3,1,1,20,BASE,265.36,265.1579,0,0,27.63,0.9,N,5,FALSE,FALSE,TRUE,0,FALSE,0,c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,Antazoline_Vasocon-A_Atazoline_Antaz sulf_Vasocon-a_,,,,,,,,
CHEMBL345237,,2,4.52,2,2.64,3.75,None,8.48,409.92,4,5,0,0,29,NEUTRAL,409.92,409.1557,0,0,45.67,0.52,N,6,FALSE,FALSE,FALSE,0,FALSE,0,O=C1c2ccccc2OC=C(Cl)N1CCCCN1CC=C(c2ccccn2)CC1,Sun-n4057_Piclozotan_SUN-N-4057_,,,,,,,,
CHEMBL1306,G01AG02_,0,4.46,3,4.33,5.37,None,8.41,532.47,8,8,0,0,36,NEUTRAL,532.47,531.1804,1,1,64.88,0.42,N,8,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,Terazol 7_R-42470_R-42,470_Terazol_NSC-331942_Terconazole_Termayazole_Gyno-Terazol_Panlomyc_Fungistat_Tercospor_R 42470_Triaconazole_Terazol 3_,,,,,,,
CHEMBL1308,V03AB34_,2,0.72,1,0.79,0.79,None,2.63,82.11,1,2,1,1,6,NEUTRAL,82.11,82.0531,0,0,28.68,0.49,Y,0,FALSE,TRUE,FALSE,0,FALSE,0,Cc1cn[nH]c1,4-methylpyrazole_NSC-760365_Fomepizole_4-MP_Antizol_,,,,,,,,
CHEMBL350221,N06AX01_,1,0.83,2,-1.4,-1.39,2.15,9.18,220.23,3,5,4,5,16,ZWITTERION,220.23,220.0848,0,0,99.34,0.62,N,3,FALSE,FALSE,FALSE,0,FALSE,0,N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,Dl-oxitriptan_Pretonine_NSC-92523_Levotinine_5-hydroxy-l-tryptophan_Tryptophan, 5-hydroxy-, dl_L-5-htp_Dl-5-hydroxytryptophan_Oxitriptan_5-hydroxytryptophan, dl-_Levothym_Telesol_5-hydroxytryptophan_Oxyfan_Hydroxytryptophan_Levotonine_Triptene_Dl-hydroxytryptophan_5-hydroxytryptophan l-form_Cincofarm_Quietim_L-5-hydroxytryptophan_Dl-5-htp_Serotonyl_,,,,,
CHEMBL1311,C01DA14_,1,-1.28,0,-0.71,-0.71,13.34,None,191.14,6,7,1,1,13,NEUTRAL,191.14,191.043,0,0,91.06,0.43,N,2,TRUE,FALSE,FALSE,1,FALSE,0,O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12,Eumon 60 xl_BM-22-145_Monigen xl 60_Phasonit la 50_Isosorbide mononitrate_IS 5-MN_Isib 50 xl_Cibral 20_Monit xl 60_Elantan 20_Monit_Monoket_Modisal 40 xl_Zemon 60 xl_Isotard 50 xl_Ismo 20_Chemydur 60 xl_Isib 60 xl_Monomax sr 40_Monocord_Ismo 40_Cibral 40_Isosorbide 5-nitrate_1,1-diureidisobutane_Ketanodur_Astrodur mr_Monomax xl_Isotrate_IS-5MN_Isosorbide dinitrate isosorbide-5-mononitrate_Cibral xl 60_Ismo ret_Isodur 50 xl_Xismox xl 60_BM 22.145_AHR-4698_Elantan 40_Mono-cedocard 10_NSC-758619_Angeze sr 60_Imo la_Mono-cedocard 20_Ismo_Monomil xl_Tardisc xl_Dynamin xl 50_Angitate_Zemon 40 xl_Relosorb xl_Isotard 25 xl_Diluted isosorbide mononitrate_Isotard 60 xl_Mcr 50_Dynamin_Ziotan xl_Monit ls_Isodur_Monit sr_Isib 20_Angeze 10_Isobutylenediurea_Angeze 40_Vasotrate 60 sr_IS-5-MN_BM 22.145IS 5-MNAHR-4698_Modisal la 50_Monomax sr 60_Modisal la 25_Elantan la 50_Modisal 60 xl_Iso-5-mononitrate_Corangin_Tenkosorb_Angeze sr 40_Elantan la 25_BM-22.145_Isosorbide 5-mononitrate_Trangina xl_Isobutyldiurea_Isosorbide-5-mononitrate_Monodur_Slomon xl 60_Dynamin xl 25_Carmil xl_Elantan 10_Mono-cedocard 40_Pertil ret_Eumon 40 xl_Imdur_Isotard 40 xl_Monosorb xl 60_Cibral 10_Isib 40_Ismo 10_Angeze 20_Isodur 25 xl_BM-22145_,,,,,,,
CHEMBL157138,G02CB02_N02CA07_,1,2.84,2,2.06,2.17,None,6.88,338.46,2,5,2,2,25,NEUTRAL,338.46,338.2107,0,0,51.37,0.9,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,Lysuride_Lysuride maleate_Lisuride_Revanil 200_Lisuride maleate_,,,,,,,,
CHEMBL422872,,0,6.7,4,3.57,6.36,4.14,3.12,457.6,4,4,1,1,33,ACID,457.6,457.1712,1,1,59.42,0.27,N,11,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)CSC(CCCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1,AZ-12096971_AZD-4769_Azd-4769_,,,,,,,,
CHEMBL1314,G04BX16_,0,-0.49,0,-3.77,-0.53,3.86,None,163.2,3,4,3,2,10,ACID,163.2,163.0303,0,0,66.4,0.49,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CC(S)C(=O)NCC(=O)O,Acadione_Tiopronin_Thiola ec_NSC-760416_Captimer_Thiola_,,,,,,,,
CHEMBL1316,,0,4.16,3,1,3.88,4.42,None,273.72,1,3,2,2,19,ACID,273.72,273.0557,0,0,53.09,0.74,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12,Carprofen_Rimadyl_NSC-297935_Ro-205720000_Carprofen for veterinary use_RO 20-5720/000_,,,,,,,,
CHEMBL346977,N02CX05_,0,3.49,2,1.74,3.34,None,8.99,391.56,5,5,0,0,26,BASE,391.56,391.1388,0,0,43.86,0.78,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C,IL-6302_Banistyl_Migristene_8599 R.P._Dimetotiazine_,,,,,,,,
CHEMBL159226,G04BE06_C04AX10_,2,2.98,1,1.79,3.2,None,8.79,279.38,4,4,0,0,20,BASE,279.38,279.1834,0,0,38.77,0.59,N,6,FALSE,FALSE,FALSE,0,TRUE,0,CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C,Thymoxamine hcl_Acetoxythymoxamine_NSC-170448_Thymoxamine hydrochloride_Erecnos_Carlytene_Moxivig_Moxisylyte_Moxisylyte hcl_Thymoxamine_Moxisylyte hydrochloride_,,,,,,,,
CHEMBL1321,L01XB01_,2,1.05,1,0.98,0.99,None,5.56,221.3,3,4,3,3,16,NEUTRAL,221.3,221.1528,0,0,53.16,0.65,N,5,TRUE,FALSE,FALSE,1,FALSE,1,CNNCc1ccc(C(=O)NC(C)C)cc1,Procarbazine_Procarbacine_RO-4-6467_RO-4-6467 FREE BASE_Matulane_,,,,,,,,
CHEMBL1323,J05AE10_,1,2.38,2,2.82,2.82,13.59,2.39,547.67,8,10,3,4,38,NEUTRAL,547.67,547.2352,1,1,140.42,0.36,N,11,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1,UIC-940T_Prezista_UIC-94017_Darunavir_TMC-114_TMC 114_TMC-41629_MC-114_TMC114_,,,,,,,,
CHEMBL1324,N04BX01_,2,2.55,2,1.69,3.28,5.59,None,273.24,5,6,2,2,20,ACID,273.24,273.0637,0,0,100.67,0.39,N,3,TRUE,FALSE,FALSE,0,TRUE,1,Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1,RO-407592_RO 40-7592_Tolcapone_RO-40-7592_Tasmar_,,,,,,,,
CHEMBL162036,N02BA10_,2,2.79,2,2.48,2.48,None,None,313.31,5,6,1,1,23,NEUTRAL,313.31,313.095,0,0,81.7,0.69,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1,Benorilate_Fenasprate_Triadol_Benorylate_WIN 11450_Benoral_WIN-11450_,,,,,,,,
CHEMBL1336,L01EX02_,2,5.55,3,4.34,4.34,11.55,3.03,464.83,4,7,3,3,32,NEUTRAL,464.83,464.0863,1,1,92.35,0.46,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,BAY 43-9006_Nexavar_Sorafenib_BAY-43-9006_,,,,,,,,
CHEMBL167150,P02BB01_,0,2.16,0,1.14,1.14,10.12,None,257.44,4,4,1,1,12,NEUTRAL,257.44,255.9226,0,0,55.76,0.62,N,3,FALSE,FALSE,FALSE,1,FALSE,0,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,Trichlorfon_Bilarcil_BAYER L 1359_BAYER-L-1359_Trichlorofon_Metrifonate_NSC-8923_Triclorfon_BAY-A 9826_WEC-50_Metrifonatum_Metriphonate_ENT-19,763_DETF_,,,,,,,
CHEMBL168815,N07AX03_,0,1.56,0,-0.22,1,None,8.59,199.32,3,2,0,0,13,BASE,199.32,199.1031,0,0,12.47,0.59,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,CC1OC2(CS1)CN1CCC2CC1,Cevimeline_,,,,,,,,
CHEMBL167731,L01DB11_,2,0.6,2,-3.24,0.35,None,9.52,325.37,7,7,4,6,24,BASE,325.37,325.1539,1,0,123.13,0.52,N,6,FALSE,FALSE,FALSE,0,FALSE,0,NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O,BBR-2778_BBR 2778_Pixantrone_,,,,,,,,
CHEMBL1337,A16AX04_,2,2.73,1,2.82,3.13,7.38,None,329.23,5,6,0,0,23,NEUTRAL,329.23,329.0511,0,0,94.35,0.37,N,3,TRUE,FALSE,FALSE,0,FALSE,0,O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],Nityr_SC-0735_Orfadin_Nitisinone_,,,,,,,,
CHEMBL170988,A10BA01_,2,0.24,1,-3.73,0.83,None,11.97,205.26,2,5,5,6,15,BASE,205.26,205.1327,1,0,97.78,0.36,N,3,FALSE,FALSE,FALSE,0,TRUE,0,N=C(N)NC(=N)NCCc1ccccc1,Phenformin_,,,,,,,,
CHEMBL169901,C02CC04_,2,0.94,1,-1.35,1.07,None,12.47,175.24,1,3,2,3,13,BASE,175.24,175.1109,0,0,53.11,0.46,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,N=C(N)N1CCc2ccccc2C1,Debrisoquine_,,,,,,,,
CHEMBL354077,N07XX05_,2,0.25,1,-1.84,-0.9,None,9.25,109.13,3,3,2,4,8,BASE,109.13,109.064,0,0,64.93,0.5,N,0,TRUE,FALSE,FALSE,0,FALSE,0,Nc1ccncc1N,3,4-Diammoniopyridinium_Ruzurgi_3,4-DAP_Amifampridine_NSC-521760_Pyridine-3,4-Diamine_4-DAP_DAP_Dynamine_,,,,,
CHEMBL354541,C10AX12_,2,8.38,4,6.25,7.9,12.27,9.05,693.73,3,5,2,2,50,BASE,693.73,693.279,2,2,61.44,0.13,N,10,TRUE,FALSE,FALSE,0,FALSE,1,O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1,Lojuxta_BMS-201038-01_BMS-201038_Lomitapide_AEGR-733_,,,,,,,,
CHEMBL1339,,2,2.07,3,1.4,1.43,11.75,6.21,525.08,8,10,1,1,34,NEUTRAL,488.61,488.2206,0,0,112.9,0.52,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CCCc1nc(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl,Vardenafil hcl_Vardenafil hydrochloride_BAY-38-9456_Vardenafil monohydrochloride_Levitra_Vardenafil hydrochloride trihydrate_BAY 38-9456_Vardenafil hydrochloride anhydrous_Staxyn_Vardenafil hydrochloride hydrate_Nuviva_,,,,,,,,
CHEMBL1341,N02BG09_,2,2.03,0,2.31,2.31,None,None,164.97,1,1,0,0,8,NEUTRAL,164.97,163.9607,0,0,9.23,0.57,Y,2,FALSE,FALSE,TRUE,0,TRUE,0,COC(F)(F)C(Cl)Cl,NSC-110432_Pentrane_Inhalan_Metofane_Anecotan_Methoxiflurane_Methoxyflurane_Penthrox_Analgizer_DA-759_Methoxy flurane_Penthrane_,,,,,,,,
CHEMBL1342,,2,-0.16,0,-3.37,-0.51,4.44,None,104.11,2,3,2,2,7,ACID,104.11,104.0473,0,0,57.53,0.52,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,O=C(O)CCCO,.gamma.-hydroxybutyrate_Gamma-hydroxybutyrate_Xyrem_Oxybate_Gamma hydroxybutyrate_,,,,,,,,
CHEMBL1345,,2,0.53,0,-3.24,0.74,None,11.77,296.39,2,4,2,4,14,BASE,198.31,198.1844,0,0,67.64,0.51,N,3,TRUE,FALSE,FALSE,0,FALSE,0,N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O,Guanethidine monosulphate_Ganda_Lotens_Ismeline_Ismelin_Guanethidine monosulfate_,,,,,,,,
CHEMBL1346,G04BD10_,1,3.96,3,1.9,4.54,None,10.11,426.56,3,4,1,2,32,BASE,426.56,426.2307,0,0,55.56,0.62,N,7,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,Darifenacin_Darifenacin extended release_Enablex_UK-88525_,,,,,,,,
CHEMBL175247,A08AB01_,1,6.88,0,8.11,8.11,12.74,None,495.75,5,6,1,1,35,NEUTRAL,495.75,495.3924,1,1,81.7,0.09,N,23,TRUE,FALSE,FALSE,0,FALSE,0,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,NSC-758881_Orlistat_RO-180647-002_Lipstatin_Alli_RO-180647002_RO 18-0647/002_Xenical_Orlipastat_Tetrahydrolipstatin_Beacita_,,,,,,,,
CHEMBL177367,D08AL01_,-1,None,None,None,None,None,None,169.87,None,None,None,None,None,NA,169.87,168.8929,None,None,None,None,None,None,FALSE,FALSE,FALSE,0,FALSE,0,O=[N+]([O-])[O-].[Ag+],Silver nitrate_Silver nitrate, toughened_Toughened silver nitrate_NSC-135800_Caustic_Argentum nitricum_Silver Nitrate_Silver nit caustic_Avoca_Argenti nitras_,,,,,,,
CHEMBL175691,J05AG05_,2,4.99,3,5.47,5.47,11.43,4.44,366.43,6,6,2,2,28,NEUTRAL,366.43,366.1593,0,0,97.42,0.62,N,5,TRUE,TRUE,FALSE,0,FALSE,0,Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1,Rilpivirine_R278474_TMC-278_Edurant_R-278474_TMC278_R 278474_,,,,,,,,
CHEMBL369075,,2,1.21,2,-1.67,0.81,13.89,9.96,296.37,4,5,2,3,22,BASE,296.37,296.1637,0,0,72.94,0.83,N,1,FALSE,FALSE,FALSE,0,FALSE,0,NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1,Vapitadine_,,,,,,,,
CHEMBL1349,J05AB11_,1,-0.8,2,-0.4,-0.06,11.99,7.48,324.34,9,10,3,5,23,NEUTRAL,324.34,324.1546,0,0,151.14,0.44,N,7,TRUE,FALSE,FALSE,1,FALSE,0,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21,Valacyclovir_Valaciclovir_Valacv_Valtrex_Zelitrex_,,,,,,,,
CHEMBL539423,,2,6.54,3,5.17,6.06,5.69,3.52,592.76,7,9,1,1,42,ACID,592.76,592.2719,2,2,114.1,0.26,N,12,FALSE,FALSE,FALSE,0,FALSE,0,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1,PS433540_Sparsentan_PS-433540_RE-021_,,,,,,,,
CHEMBL180022,L01EH02_,2,5.93,4,3.05,4.47,12.55,8.81,557.05,8,9,2,2,40,BASE,557.05,556.199,2,2,112.4,0.22,N,11,TRUE,FALSE,FALSE,0,FALSE,0,CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,Neratinib_HKI-272_CDP-820_WAY-179272_,,,,,,,,
CHEMBL1350,M05BA05_,2,2.07,1,-3.47,1.32,1.03,None,318.61,3,6,4,4,17,ACID,318.61,317.9284,0,0,115.06,0.5,N,4,TRUE,FALSE,FALSE,0,FALSE,0,O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O,Tiludronate_Tiludronic acid_SR-41319_Skelid_SR 41319_Tiludronic Acid_,,,,,,,,
CHEMBL360328,A08AA11_,1,2.59,1,0.22,2.83,None,10.12,195.69,1,1,1,1,13,BASE,195.69,195.0815,0,0,12.03,0.67,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H]1CNCCc2ccc(Cl)cc21,Lorcaserin_,,,,,,,,
CHEMBL1356,A16AX11_,-1,None,None,None,None,None,None,144.1,None,None,None,None,None,NA,144.1,144.0187,None,None,None,None,None,None,TRUE,TRUE,FALSE,0,FALSE,0,O=C([O-])c1ccccc1.[Na+],Microcare sb_Antimol_Sodium benzoate_INS NO.211_E211_E-211_Mthwsh_Purox s_Fuminaru_INS-211_Sobenate_Amzoate_FEMA NO. 3025_,,,,,,,,
CHEMBL1358,L02BA03_,1,8.68,1,7.57,7.57,10.32,None,606.78,3,3,2,2,41,NEUTRAL,606.78,606.3166,2,2,57.53,0.16,N,14,FALSE,TRUE,FALSE,0,FALSE,0,C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O,ICI 182,780_Faslodex_ZD-9238_NSC-759879_ICI-182780_Fulvestrant_ZD9238_,,,,,,,
CHEMBL1359,J01DH03_,1,0.94,1,-6.07,-3.23,3.22,9.03,475.52,7,10,5,5,33,ZWITTERION,475.52,475.1413,0,0,156.27,0.36,N,7,FALSE,TRUE,FALSE,0,FALSE,0,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12,Ertapenem_Invanz_,,,,,,,,
CHEMBL181954,,1,4.97,3,1.55,4.87,3.64,None,422.48,5,6,1,1,31,ACID,422.48,422.1729,0,0,74.22,0.42,N,12,FALSE,FALSE,FALSE,0,FALSE,0,CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,Ly519818_Naveglitazar_LY-9818_LY9818_LY519818_LY-519818_,,,,,,,,
CHEMBL174,J01CA01_J01CA51_S01AA19_,1,0.32,1,-2.36,-2,3.24,7.23,349.41,5,7,3,4,24,ACID,349.41,349.1096,0,0,112.73,0.67,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,Totacillin-N_Ampicillin, anhydrous_P-50_Probampacin_Semicillin_Ampicillin trihydrate_Polycillin-N_Penbritin-S_Amcill_BRL-1341_Poly-cillin_AY-6108_Principen_Omnipen-N_Ampicillinum_Anhydrous ampicillin_Britcin_Principen '125'_Ampicillin hydrate_Ampicillin (anhydrous)_Aminobenzylpenicillin trihydrate_Principen '250'_Omnipen (ampicillin)_Totacillin_Ultrabion_Aminobenzylpenicillin_Ampicillin anhydrous_Alpha-Aminobenzylpenicillin_Omnipen_Ampilar_Penbritin_Pfizerpen-A_Amfipen_Redicilin_Ampicillin/ampicillin trihydrate_Tokiocillin_Pfizerpen-a_Principen '500'_Vidopen_NSC-528986_Polycillin-Prb_WY 5103_Polycillin_Ampicillin_,,,,,,,
CHEMBL360055,M03AC02_,2,5.45,1,-7.72,-7.72,None,None,510.83,3,6,0,0,36,NEUTRAL,510.83,510.4618,2,2,27.69,0.21,N,21,FALSE,TRUE,FALSE,0,FALSE,0,CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,Gallamine_,,,,,,,,
CHEMBL1360,M03AC04_,0,8.07,4,-0.96,-0.96,None,None,929.16,12,14,0,0,67,NEUTRAL,929.16,928.5074,3,3,126.44,0.04,N,24,FALSE,TRUE,FALSE,0,FALSE,0,COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC,Atracurium cation_Atracurium_Tracrium_Atracurium ion_,,,,,,,,
CHEMBL185073,M03AC01_,1,6.11,0,-3.27,-3.27,None,None,572.88,4,6,0,0,41,NEUTRAL,572.88,572.4542,2,2,52.6,0.3,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1,Pancuronium_Pavulon_,,,,,,,,
CHEMBL182066,,2,2.68,3,3.02,3.03,9.51,None,397.41,4,7,2,2,29,NEUTRAL,397.41,397.1438,0,0,95.41,0.66,N,3,FALSE,FALSE,FALSE,0,FALSE,0,O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,Rgh-896_RGH-896_Radiprodil_,,,,,,,,
CHEMBL1363,,1,2.22,2,0.04,1.06,8.61,9.81,344.41,5,6,4,4,25,BASE,344.41,344.1736,0,0,90.82,0.41,N,9,FALSE,FALSE,TRUE,0,FALSE,0,COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1,Arformoterol_Formoterol r,r-form_,,,,,,,
CHEMBL184412,C01BD07_,2,7.05,3,3.96,5.28,9.08,9.79,556.77,6,7,1,1,39,BASE,556.77,556.2971,2,2,88.85,0.13,N,18,TRUE,FALSE,FALSE,0,FALSE,1,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1,Dronedarone_SR-33589_SR33589_,,,,,,,,
CHEMBL363295,G04BD05_,0,4.99,2,2.23,5.16,None,10.62,281.44,1,1,1,1,21,BASE,281.44,281.2143,0,0,12.03,0.81,N,5,FALSE,FALSE,FALSE,0,TRUE,0,CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C,Terodiline_,,,,,,,,
CHEMBL362558,,2,3.42,4,1.83,1.83,9.82,5.27,512.55,6,9,1,1,38,NEUTRAL,512.55,512.1972,1,1,91.95,0.42,N,2,FALSE,FALSE,FALSE,0,FALSE,0,O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,LY-2090314_LY2090314_Ly-2090314_Ly 2090314_,,,,,,,,
CHEMBL186179,,2,5.37,4,1.34,4.79,3.19,0.93,516.55,7,9,1,1,38,ACID,516.55,516.1897,2,2,111.33,0.28,N,11,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1,BMS-298585-01_MK0478_BMS-298585_Muraglitazar_MK-0478_,,,,,,,,
CHEMBL439849,N06AX24_,2,4.03,4,2.49,3.72,None,8.6,441.54,5,7,2,3,33,BASE,441.54,441.2165,0,0,102.29,0.42,N,7,TRUE,FALSE,FALSE,0,FALSE,1,N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,EMD 515259_EMD-515259_EMD-68-843_Vilazodone_,,,,,,,,
CHEMBL1370,A07EA06_R03BA02_D07AC09_R01AD05_,0,2.72,0,2.73,2.73,13.75,None,430.54,6,6,2,2,31,NEUTRAL,430.54,430.2355,0,0,93.06,0.71,N,4,TRUE,FALSE,TRUE,0,FALSE,1,CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,MAP-0010_Pulmicort_Pulmicort respules_Pulmicort flexhaler_MAP0010_Preferid_Pulmicort l.s._Aircort_Entocort_Symbicort_R01AD05_S-1320_Duoresp spiromax_Budesonide_NSC-757788_Rhinocort aqua_Budenofalk_Pulmaxan_Rhinocort aqua 64_Budelin novolizer_Uceris_Budeflam aquanase_Rhinocort_Entocort ec_Rhinocort allergy_Cortiment_Ortikos_Entocort cr_,,,,,,,,
CHEMBL450940,,2,3.69,3,3.36,3.62,7.53,1,271.25,4,4,2,2,20,NEUTRAL,271.25,271.0645,0,0,66.49,0.75,N,2,FALSE,FALSE,FALSE,0,FALSE,0,C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12,ERB-041_PF-00913086_Prinaberel_,,,,,,,,
CHEMBL361506,P01CX01_,2,2.88,2,-2.5,2.32,None,12.13,592.69,4,6,4,6,25,BASE,340.43,340.1899,1,0,118.2,0.3,N,10,FALSE,TRUE,TRUE,0,FALSE,0,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO,MB 800_Pentacarinat_RP 2512_Pentamidine diisetionate_Pentamidine isetionate_Nebupent_Pentamidini isetionas_Pentamidine diisethionate_NSC-757400_OCZ103-OS_Pentamidine isethionate_NSC-620107_Pentam_,,,,,,,,
CHEMBL189171,M01AB11_,2,3.47,3,-0.28,3.15,3.25,None,415.83,6,7,1,1,29,ACID,415.83,415.0823,0,0,94.83,0.62,N,6,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,Acemetacin_Emflex_NSC-757413_Rantudil_,,,,,,,,
CHEMBL1371,M03BB53_M03BB03_M03BB73_,2,1.77,2,1.93,1.94,9.39,None,169.57,2,3,1,1,11,NEUTRAL,169.57,168.9931,0,0,46,0.65,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,O=c1[nH]c2cc(Cl)ccc2o1,Chlorzoxazone_Paraflex_Parafon forte dsc_Strifon forte dsc_Parafon_Strifon_Parafon-Forte_NSC-26189_Parafon Forte_,,,,,,,,
CHEMBL361497,P01BE03_,1,2.6,0,-0.17,3.1,3.77,None,384.43,7,8,1,1,27,ACID,384.43,384.1784,0,0,100.52,0.58,N,4,FALSE,TRUE,FALSE,1,FALSE,0,C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4,Plasmotrin_.alpha.-artesunic acid_NSC-712571_Zysunate_Artesunatum_Saphnate_Artesunic acid_LJPC-0118_Artesunate_Qinghaozhi_Dihydroqinghaosu hemisuccinate_Arsumax_,,,,,,,,
CHEMBL188462,,1,2.88,1,-0.65,2.24,None,10.55,234.34,3,3,1,1,17,BASE,234.34,234.1732,0,0,34.15,0.82,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CN[C@@H](C)C/C=C/c1cncc(OC(C)C)c1,AZD-3480_TC-1734_Azd3480_TC-01734_Ispronicline_,,,,,,,,
CHEMBL191083,,2,2.5,1,-0.62,-0.62,None,3.14,284.41,3,3,0,0,20,NEUTRAL,284.41,284.1216,0,0,19.14,0.51,Y,1,FALSE,TRUE,FALSE,1,FALSE,1,CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1,DNDI1417128_,,,,,,,,
CHEMBL191413,,1,2.06,1,1.58,2.52,4,None,283.39,3,4,1,1,19,ACID,283.39,283.1242,0,0,63.24,0.9,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1,DF 1681Y_DF-1681Y_DF1681Y_Reparixin_Repertaxin_Df-1681y_,,,,,,,,
CHEMBL1372,,1,-3.88,0,-16.6,-10.11,1.44,9.61,612.64,12,18,10,12,40,ZWITTERION,612.64,612.152,3,3,317.64,0.04,N,21,FALSE,FALSE,FALSE,0,FALSE,0,N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,Oxiglutatione_Glutathione disulfide_,,,,,,,,
CHEMBL1373,N06BA07_,0,2.01,2,1.52,1.53,8.84,None,273.36,2,3,1,2,19,NEUTRAL,273.36,273.0823,0,0,60.16,0.91,N,5,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1,NSC-751178_THN-102 COMPONENT MODAFINIL_CRC-40476_Modiodal_CEP 1538_Modafinil civ_CEP-1538_DEP-1538_Modaphonil_THN102 COMPONENT MODAFINIL_CRL-40476_CRL 40476_NSC-759110_Provigil_Modafinil_,,,,,,,,
CHEMBL365795,M01AE11_,0,3.17,2,0.52,3.66,4.03,None,260.31,3,3,1,1,18,ACID,260.31,260.0507,0,0,54.37,0.86,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1,Surgam 200_Surgam_Tiaprofenic acid_Surgam sa_Tiaprofen_RU-15060_Tiaprofenate_Surgam 300_RU 15060_,,,,,,,,
CHEMBL175,M01AE14_,1,3.07,1,1.34,3.84,4.85,None,206.28,1,2,1,1,15,ACID,206.28,206.1307,0,0,37.3,0.82,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)Cc1ccc([C@H](C)C(=O)O)cc1,(s)-ibuprofen_NSC-759814_Dexibuprofen_Neoprofen_IBU-TAB_S-ibuprofen_Rufen_Seractil_,,,,,,,,
CHEMBL189676,,2,6.3,3,6.52,6.52,10.77,1.6,522.27,4,5,1,1,31,NEUTRAL,522.27,520.0432,2,2,50.16,0.43,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,Sr147778_SR-147778_Surinabant_,,,,,,,,
CHEMBL190461,N03AX24_,1,5.85,1,6.32,6.33,9.13,None,314.47,2,2,2,2,23,NEUTRAL,314.47,314.2246,1,1,40.46,0.51,N,6,TRUE,FALSE,FALSE,0,FALSE,0,C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,.delta.1(2)-trans-cannabidiol_Epidiolex_CBD_(-)-trans-cannabidiol_GWP-42003_(-)-cbd_Cannabidiol solution_Cannabidiol_BTX-1204_GWP42003_(-)-cannabidiol_GWP42003-P_BTX-1503_GWP-42003-P_,,,,,,,,
CHEMBL190677,,0,2.6,2,2.65,2.65,12.62,None,212.25,2,2,1,1,16,NEUTRAL,212.25,212.0837,0,0,37.3,0.79,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,O=C(c1ccccc1)C(O)c1ccccc1,Benzoin resin_FEMA NO. 2132_Benzoin usp_Gum benzoin tincture_Gum benzoin_Benzoin tincture_NSC-8082_Benzoin_Benzoin resin, unspecified_,,,,,,,
CHEMBL189963,L01EF01_,2,2.97,3,1.3,2.77,11.34,8.86,447.54,9,9,2,2,33,BASE,447.54,447.2383,0,0,105.04,0.58,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,PD-0332991_Palbociclib_Ibrance_,,,,,,,,
CHEMBL189475,,1,1.09,1,1.1,2.04,4,None,375.35,6,7,1,1,23,ACID,375.35,375.0058,0,0,106.61,0.61,N,5,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1,Ladarixin_Df2156a_,,,,,,,,
CHEMBL190333,,2,5.12,4,5.43,5.43,None,4.89,425.51,4,4,1,1,32,NEUTRAL,425.51,425.1903,1,1,50.94,0.42,N,7,FALSE,FALSE,FALSE,0,FALSE,0,OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1,RWJ-67657_Rwj-67657_,,,,,,,,
CHEMBL364713,R05DA07_,1,2.88,2,2.39,2.58,13.07,7.14,413.43,8,8,0,0,30,NEUTRAL,413.43,413.1475,0,0,75.69,0.71,N,4,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,Noscapinum_Tusscapine_Noscapine_Narcotine_Narcotinum_(-)-.alpha.-narcotine_NSC-5366_(-)-narcotine_Methoxyhydrastine_,,,,,,,,
CHEMBL1377,P01BB01_P01BB51_,2,2.21,1,-0.78,2.38,None,10.4,253.74,2,5,5,5,17,BASE,253.74,253.1094,0,0,83.79,0.41,N,2,TRUE,FALSE,FALSE,1,FALSE,0,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1,Chlorguanide_Proguanil_Chloroguanide_,,,,,,,,
CHEMBL1378,R06AD03_,2,5.04,2,3.97,4.66,None,8,399.63,5,3,0,0,27,NEUTRAL,399.63,399.1803,1,1,9.72,0.63,N,6,TRUE,TRUE,TRUE,0,FALSE,0,CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2,Torecan_Thiethylperazine_,,,,,,,,
CHEMBL193240,R03DX07_,2,5.03,2,4.45,4.45,13.3,2.4,403.21,4,5,1,1,26,NEUTRAL,403.21,402.035,1,1,60.45,0.7,N,7,TRUE,FALSE,FALSE,0,FALSE,0,O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,BYK20869_BY-217_BYK-20869_B9302-107_Roflumilast_BY217_Daliresp_B-9302-107_Daxas_,,,,,,,,
CHEMBL1380,J05AF06_,1,1.09,2,0.38,0.39,None,5.8,286.34,7,7,3,4,21,NEUTRAL,286.34,286.1542,0,0,101.88,0.73,N,4,TRUE,FALSE,FALSE,1,FALSE,1,Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1,Avacavir_Abacavir_NSC-742406_Epzicom_Ziagen_,,,,,,,,
CHEMBL372205,,1,3.58,3,3.76,3.85,None,6.75,483.57,7,8,0,0,36,NEUTRAL,483.57,483.227,0,0,81.93,0.53,N,6,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,Lecozotan_,,,,,,,,
CHEMBL1382,G04BD07_,1,5.34,2,2.76,5.12,10.28,11.01,325.5,2,2,1,1,24,BASE,325.5,325.2406,1,1,23.47,0.74,N,7,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,Efflosomyl xl_Detrusitol xl_Neditol xl_Mariosea xl_Inconex xl_Preblacon xl_KABI-2234_Santizor xl_Detrusitol_Blerone xl_Tolterodine_KABI 2234_,,,,,,,,
CHEMBL426084,,1,1.25,1,0.12,0.46,7.88,8.94,370.45,5,6,3,4,27,BASE,370.45,370.1893,0,0,103.86,0.74,N,3,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3,Samidorphan_RDC-0313_Alks-33_ALKS-33_RDC-0313-00_ALKS 33_ALKS-5461 COMPONENT SAMIDORPHAN_,,,,,,,,
CHEMBL370143,A07AA06_,1,-8.86,0,-13.96,-8.31,12.15,9.59,615.63,19,19,13,18,42,BASE,615.63,615.2963,3,3,347.32,0.11,N,9,TRUE,FALSE,FALSE,0,FALSE,0,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,Aminosidin_Monomycin_Monomycin a_ANTIBIOTIC 503-3_Neomycin e_Hydroxymycin_Paromomycin i_R 400_Catenulin_ANTIBIOTIC SF-767B_Paromomycin_Paucimycin_Crestomycin_Gabromycin_R-400_Quintomycin c_Estomycin_ANTIBIOTIC SF 767B_Aminosidine_,,,,,,,,
CHEMBL1384,J01GB04_S01AA24_A07AA08_,1,-7.29,0,-12.2,-7.06,12.05,9.34,484.5,15,15,11,15,33,BASE,484.5,484.2381,2,2,282.61,0.17,N,6,TRUE,TRUE,FALSE,0,FALSE,0,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,Kanamycin_Kanamycins_,,,,,,,,
CHEMBL198877,,1,2.82,2,3.19,3.19,9.63,None,242.27,3,3,2,2,18,NEUTRAL,242.27,242.0943,0,0,49.69,0.81,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1,Aus-131_(S)-Equol_,,,,,,,,
CHEMBL193482,G03CA04_G03CC06_,1,2.58,1,2.67,2.67,10.33,None,288.39,3,3,3,3,21,NEUTRAL,288.39,288.1725,0,0,60.69,0.69,N,0,FALSE,FALSE,FALSE,0,FALSE,0,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,NSC-12169_Gynest_Estriol_16.ALPHA.-HYDROXYESTRADIOL_Colpogyn_Estriol propionate_Aacifemine_Oestriol_Ovestin_Theelol_Estriol succinate_Estriol acetate benzoate_Ortho-gynest_Incurin_16.alpha.,17.beta.-estriol_Trihydroxyestrin_,,,,,,,
CHEMBL1387,,1,3.64,0,2.81,2.81,None,None,298.43,2,2,1,1,22,NEUTRAL,298.43,298.1933,0,0,37.3,0.55,N,0,TRUE,FALSE,FALSE,0,FALSE,0,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C,Enidrel_Norethynodrel_NSC-15432_SC-4642_Noretynodrel_,,,,,,,,
CHEMBL1388,D11AX13_,2,2.97,2,3.24,3.24,9.91,None,200.24,2,2,1,1,15,NEUTRAL,200.24,200.0837,0,0,29.46,0.82,Y,3,FALSE,FALSE,TRUE,0,FALSE,0,Oc1ccc(OCc2ccccc2)cc1,Benoquin_Monobenzyl ether of hydroquinone_Monobenzone_NSC-2132_P-benzyloxyphenol_P-(benzyloxy)phenol_,,,,,,,,
CHEMBL1389,G03AD01_G03AC03_,1,3.88,0,3.66,3.66,None,None,312.45,2,2,1,1,23,NEUTRAL,312.45,312.2089,0,0,37.3,0.75,N,1,TRUE,TRUE,TRUE,0,FALSE,0,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,Plan b one-step_Levonorgestrel_Postinor-2_BAY86-5028_Norgestrel, (-)-_Kyleena_Ovrette_Levonelle-2_NSC-744007_Opcicon one-step_Levonelle_Athentia next_Her style_Norplant Ii_Plan B_Norgestrel (-)-form_Isteranda_Emerres una_Mirena_Jaydess_Levonelle one step_Norplant_Levosert_Norgeston_WY-5104_Liletta_Jadelle_Skyla_Fallback solo_Emerres_Upostelle_Norplant System_Ezinelle_Levonorgestrelum_Microval_,,,,,,,
CHEMBL1393,C03DA01_,1,4.85,0,3.64,3.64,None,None,416.58,5,4,0,0,29,NEUTRAL,416.58,416.2021,0,0,60.44,0.57,N,1,TRUE,FALSE,FALSE,0,FALSE,1,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21,Spiretic_Abbolactone_Carospir_Spirospare 100_Gx spironol_NSC-150399_Spironolactone ceva_Spironolactone_Spiroctan 100_Spiroctan 50_Spironolactonum_Verospirone_Diatensec_SC-9420_Aldactone_Laractone_Spiroctan 25_Spirospare 25_,,,,,,,,
CHEMBL363392,,1,6.62,3,2.69,2.7,None,5.68,674.97,6,7,1,1,48,NEUTRAL,674.97,674.3986,2,2,70.08,0.21,N,13,TRUE,FALSE,FALSE,0,FALSE,0,CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)[C@H]1O,LUM-001 CATION_Maralixibat cation_LUM001 CATION_Maralixibat_Lopixibat_,,,,,,,,
CHEMBL1395,G03BA02_G03EK01_,1,4.27,0,3.65,3.65,None,None,302.46,2,2,1,1,22,NEUTRAL,302.46,302.2246,0,0,37.3,0.73,N,0,TRUE,FALSE,TRUE,0,FALSE,0,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,NSC-139965_Methitest_17-methyltestosterone_U-2842_Oreton methyl_L-589372_Methyltestosterone ciii_Plex hormone_Android 25_Methyltestosterone_L-589.372_Testred_Oxandrolone impurity, methyltestosterone-_Android 5_Oreton_Virilon_L 589.372_Android 10_Perandren_NSC-9701_CDB-110_RU-24400_RU 24400_Metandren_Testovis_Potensan fte_,,,,,,,
CHEMBL198362,B01AF01_,1,2.52,2,1.9,1.9,13.6,None,435.89,6,8,1,1,29,NEUTRAL,435.89,435.0656,0,0,88.18,0.78,N,5,TRUE,FALSE,FALSE,0,FALSE,1,O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,JNJ39039039_JNJ-39039039_Xarelto_BAY 59-7939_BAY-59-7939_Rivaroxaban_,,,,,,,,
CHEMBL363648,,2,6,4,6.11,6.11,None,2.37,399.52,4,4,1,1,29,NEUTRAL,399.52,399.1405,1,1,54.88,0.45,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1,TAK 715_Tak-715_TAK-715_,,,,,,,,
CHEMBL197669,,2,0.87,3,2.11,2.11,None,4.04,272.32,8,8,1,2,20,NEUTRAL,272.32,272.1498,0,0,100.33,0.76,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,ST-1535_St1535_,,,,,,,,
CHEMBL1396,N07BA03_,2,1.8,2,-1.27,1.01,None,9.73,211.27,3,3,1,1,16,BASE,211.27,211.1109,0,0,37.81,0.72,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,c1cnc2cc3c(cc2n1)C1CNCC3C1,Varenicline_CP-526555_Chantix_CP-526,555_,,,,,,,
CHEMBL382301,G02CX01_,1,-3.04,1,-6.75,-4.61,11.28,9.6,994.21,15,23,11,14,68,BASE,994.21,993.4412,3,3,365.67,0.07,N,18,FALSE,FALSE,FALSE,0,FALSE,0,CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1,RWJ 22164_RWJ-22164_Tractocil_Tractocile_Antocile_ORF 22164_Atosiban_CAP-581_CAP-476_Antocin_RW-22164_ORF-22164_CAP-449_F-314_Antocin ii_,,,,,,,,
CHEMBL177,S01AA21_D06AX12_J01GB06_,1,-8.42,0,-15.1,-8.58,12.16,9.61,585.61,17,18,13,17,40,BASE,585.61,585.2857,3,3,331.94,0.11,N,10,FALSE,TRUE,FALSE,0,FALSE,1,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,NSC-177001_Amikacinum_Amikin_Potentox_Lukadin_Amikacin_BAY 41-6551_,,,,,,,,
CHEMBL370805,N01BC01_S02DA02_S01HA01_R02AD03_,1,1.87,1,0.82,2.28,None,8.85,303.36,5,5,0,0,22,BASE,303.36,303.1471,0,0,55.84,0.8,N,3,FALSE,FALSE,TRUE,0,FALSE,1,COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C,RX-0041_RX0041_Cocainum_Neurocaine_IDS-NC-004_Benzoylmethylecgonine_(r)-(-)-cocaine_Cocaine_,,,,,,,,
CHEMBL1397,J02AC04_,1,4.57,5,5.41,5.41,None,3.93,700.79,12,12,1,1,51,NEUTRAL,700.79,700.3297,2,2,115.7,0.2,N,12,TRUE,TRUE,FALSE,0,FALSE,0,CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O,Noxafil powdermix kit_SCH-56592_SCH 56592_Noxafil_Posaconazole_,,,,,,,,
CHEMBL372795,J01GA01_A07AA04_A07AA54_,1,-8.16,0,-11.79,-7.06,11.23,10.07,581.58,15,19,12,16,40,BASE,581.58,581.2657,3,3,336.43,0.07,N,9,FALSE,TRUE,FALSE,0,FALSE,1,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,Streptomycin_Chemform_Gerox_Strepcen_NSC-14083_,,,,,,,,
CHEMBL178,L01DB02_,1,1.03,2,0.91,1.34,8,9.09,527.53,11,11,5,6,38,BASE,527.53,527.1791,3,2,185.84,0.31,N,4,FALSE,TRUE,FALSE,0,FALSE,1,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,Daunoxome_Daunomycin_Epirubicin hydrochloride impurity, daunorubicin-_Daunorubicin_RP 13057_FI-6339_Cerubidine_FI 6339_Valrubicin impurity, daunorubicin_NSC-83142_RP-13057_,,,,,,
CHEMBL1399,L02BG03_,2,2.93,2,3.03,3.03,None,2,293.37,5,5,0,0,22,NEUTRAL,293.37,293.164,0,0,78.29,0.87,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,NSC-719344_Nastrosa_ICI-D1033_ZD-1033_Anastrozole_Arimidex_Rvg-106400_ZD1033_ICI D1033_NSC-759855_,,,,,,,,
CHEMBL1401,P01AX11_,2,2.23,2,2.12,2.12,10.62,None,307.29,7,8,1,1,21,NEUTRAL,307.29,307.0263,0,0,111.43,0.4,N,4,TRUE,FALSE,FALSE,1,FALSE,0,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,NSC-697855_PH 5776_PH-5776_NSC-760057_Nitazoxanide_Alinia_,,,,,,,,
CHEMBL203567,,1,1.56,3,2.09,2.09,13.62,2.19,371.37,7,7,3,4,27,NEUTRAL,371.37,371.1281,0,0,110.6,0.54,N,7,FALSE,FALSE,FALSE,0,FALSE,0,Nc1c(C(=O)c2cccc(OC[C@@H](O)CO)c2)cnn1-c1ccc(F)cc1,SYD003_Ro-3201195_Syd-003_,,,,,,,,
CHEMBL204656,J05AJ02_,1,4.28,3,3.22,4.67,5.97,None,447.89,5,6,2,2,31,ACID,447.89,447.1249,0,0,88.76,0.56,N,7,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C,Vitekta_JTK-303_Elvitegravir_GS-9137_,,,,,,,,
CHEMBL203321,,1,5.25,1,2.22,4.53,1.4,None,561.7,9,10,3,4,38,ACID,561.7,561.3543,2,2,146.13,0.1,N,26,TRUE,FALSE,FALSE,1,FALSE,1,CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O,CMX-001_CMX 001_Brincidofovir_Hexadecyloxypropyl cidofovir_CMX001_Hexadecyloxypropyl-cidofovir_Tembexa_Hdp-cidofovir_,,,,,,,,
CHEMBL383634,A10BB08_,2,3.52,2,3.2,4.14,4.32,None,527.64,6,9,2,2,37,ACID,527.64,527.209,1,1,121.88,0.53,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C,Glurenorm_ARDF 26_Gliquidone_ARDF-26_,,,,,,,,
CHEMBL206834,,1,5.39,4,3,4.67,12.66,9.06,576.63,8,9,2,2,42,BASE,576.63,576.2573,2,2,99.17,0.29,N,8,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,Bafetinib_INNO-406_NS-187_CNS-9_,,,,,,,,
CHEMBL1404,C01EB18_,0,2.31,2,2.74,2.83,13.6,6.77,427.55,6,7,2,2,31,NEUTRAL,427.55,427.2471,0,0,74.27,0.64,N,9,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1,Ranolazine_RS-43285-003_Ranexa_CVT-303_NSC-759100_Ran d_,,,,,,,,
CHEMBL203266,C01EB15_,2,1.12,1,-0.9,0.91,None,9.21,266.34,5,5,1,1,19,BASE,266.34,266.163,0,0,42.96,0.86,N,5,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(CN2CCNCC2)c(OC)c1OC,Vastarel mr_Vastarel_Dilatan_40045_Trimetazidine_,,,,,,,,
CHEMBL206253,,2,6.79,3,6.84,7.26,None,7.6,578.6,4,5,0,0,41,NEUTRAL,578.6,578.248,2,2,39.68,0.31,N,5,TRUE,TRUE,FALSE,0,FALSE,0,Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,RO-673189000_Netupitant_RO-67-3189_RO 67-3189/000_,,,,,,,,
CHEMBL1405,G03CC04_G03CA07_,1,3.82,1,4.31,4.31,10.33,None,270.37,2,2,1,1,20,NEUTRAL,270.37,270.162,0,0,37.3,0.78,N,0,FALSE,TRUE,FALSE,0,FALSE,0,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,Folliculin_NSC-9699_Thelykinin_Follicular-hormone_1,3,5-estratrien-3-ol-17-one_Estrone_Estradiol metabolite e1_Natural estrogenic substance-estrone_Tokokin_Estrogenic substance_Follicular hormone_Theelin_Ketohydroxyestrin_Folliculinum_Oestrone_WAY 164397_,,,,,,
CHEMBL377300,,1,3.52,4,3.42,3.42,None,None,370.38,6,7,2,2,27,NEUTRAL,370.38,370.1441,0,0,84.67,0.56,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1,Brivanib_BMS-540215_,,,,,,,,
CHEMBL205596,A05AA03_,1,3.45,0,-0.35,2.48,4.48,None,408.58,4,5,4,4,29,ACID,408.58,408.2876,0,0,97.99,0.57,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,Cholbam_Kolbam_Cholic Acid_Cholalic acid_Cholic acid_NSC-6135_E1000_Orphacol_,,,,,,,,
CHEMBL1409,,2,3.2,1,1.33,2.8,None,8.86,434.41,4,4,1,2,22,BASE,318.34,318.1555,0,0,56.84,0.43,N,9,TRUE,FALSE,FALSE,0,FALSE,1,COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C\C(=O)O,Fluvoxamine maleate_Floxyfral_Luvox_Faverin 100_Luvox cr_NSC-759602_Fluvoxamine hydrogenmaleate_Faverin_DU-23000_Fevarin_Faverin 50_DU23000_,,,,,,,,
CHEMBL208427,,1,4.44,3,1.6,1.61,4.01,9.02,410.9,4,5,4,4,29,ZWITTERION,410.9,410.1397,0,0,81.59,0.39,N,9,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1,Gw427353_Solabegron_,,,,,,,,
CHEMBL207197,,1,4.41,3,0.88,1.62,6.75,10.2,869.66,8,14,5,6,54,BASE,869.66,867.2067,3,1,176.47,0.17,N,12,FALSE,FALSE,FALSE,0,FALSE,0,NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1,Bibn 4096 bs_BIBN-4096BS_BIBN-4096 BS_Bibn-4096bs_Olcegepant_BIBN 4096 BS_,,,,,,,,
CHEMBL427216,A10BB09_,0,1.63,1,0.79,1.73,4.07,1.38,323.42,4,6,2,2,22,ACID,323.42,323.1304,0,0,78.51,0.89,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1,J3.151H_Vamju_Ziclaseg_Glimil_S-852_Edicil_SE-1702_S-1702_Diamicron mr_Diamicron_Gliclazide_Dacadis mr_Diaglyk_Vitile xl_Zicron pr_NSC-758673_SE 1702_Zicron_Bilxona_Nazdol mr_Glimicron_,,,,,,,,
CHEMBL209821,,2,3.05,1,2.09,2.53,11.08,7.64,450.65,5,7,2,2,31,NEUTRAL,450.65,450.2665,0,0,81.75,0.54,N,10,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,PRX-00023_Naluzotan_,,,,,,,,
CHEMBL383675,L01XD05_,2,9.76,7,9.2,9.21,9.12,5.53,680.76,6,8,6,6,52,NEUTRAL,680.76,680.2424,3,3,138.28,0.11,N,4,FALSE,FALSE,FALSE,0,FALSE,0,Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc2CC4)C=C3)c1,Temoporfin_EF-9_Mthpc_Foscan_EF9_,,,,,,,,
CHEMBL207538,,1,4.6,0,3.99,3.99,None,None,318.5,2,2,1,1,23,NEUTRAL,318.5,318.2559,0,0,37.3,0.77,N,1,FALSE,TRUE,FALSE,0,FALSE,1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,Allopregnan-3.alpha.-ol-20-one_Brexanolone_SGE-102_Allotetrahydroprogesterone_Zulresso_SAGE-547_Allopregnanolone_,,,,,,,,
CHEMBL207433,,1,4.26,2,3.98,3.98,12.38,5.26,429.24,3,5,2,2,26,NEUTRAL,429.24,428.046,0,0,57.26,0.77,N,3,FALSE,FALSE,FALSE,0,FALSE,0,O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1,Sb-705498_SB-705498_GSK705498_,,,,,,,,
CHEMBL379845,,2,0.87,1,0.76,0.76,None,3.24,137.14,3,3,0,0,10,NEUTRAL,137.14,137.0477,0,0,39.19,0.54,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,COC(=O)c1cccnc1,Methylnicotinate_FEMA NO. 3709_NSC-13126_Vitathone_Methyl nicotinate_,,,,,,,,
CHEMBL211456,C01CA26_R01AB05_A08AA56_R01AA03_S01FB02_,1,1.33,1,-0.78,1.32,13.89,9.52,165.24,2,2,2,2,12,BASE,165.24,165.1154,0,0,32.26,0.71,Y,3,FALSE,TRUE,FALSE,0,FALSE,0,CN[C@@H](C)[C@H](O)c1ccccc1,NSC-8971_L-ephedrine_Ephedrine, anhydrous_Ephedrinum, anhydrous_(-)-ephedrine_Ephedrine_NSC-170951_Xenadrine_,,,,,,
CHEMBL214268,,1,1.65,2,0.29,0.75,None,7.67,271.32,4,5,1,1,20,NEUTRAL,271.32,271.1321,0,0,58.37,0.9,N,2,FALSE,FALSE,FALSE,0,FALSE,0,O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1,PHA-543,613_J3.179.420J_Pha-00543613_Pha-543613_PHA-543613_,,,,,,,
CHEMBL1412,P02CB01_,2,-0.82,0,-2.86,-0.73,None,9.56,86.14,2,2,2,2,6,BASE,86.14,86.0844,0,0,24.06,0.4,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,C1CNCCN1,Wormex_Antepar_Ins umuline rapide_Expelix_Ascalix_Piperazine_Ectodyne_,,,,,,,,
CHEMBL1413,D01AE14_G01AX12_,2,2.44,1,1.56,2.22,6.84,None,207.27,3,3,1,1,15,NEUTRAL,207.27,207.1259,0,0,42.23,0.72,Y,1,FALSE,FALSE,TRUE,0,FALSE,0,Cc1cc(C2CCCCC2)n(O)c(=O)c1,Penlac_HOE 296B_Ciclopirox_Loprox_HOE-296B_Cyclopirox_,,,,,,,,
CHEMBL443052,D01AE24_,2,None,None,None,None,None,None,151.93,None,None,None,None,None,NA,151.93,152.0445,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,OB1OCc2cc(F)ccc21,AN2690_Kerydin_AN-2690_Tavaborole_,,,,,,,,
CHEMBL211471,,2,1.94,1,-2.25,-2.25,None,None,334.39,2,4,0,0,16,NA,223.3,223.1441,0,0,29.54,0.72,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-],Neostigmine methyl sulfate_Bloxiverz_Neostigmine methylsulphate_NSC-93753_Syntostigmin_Neostigmine methylsulfate_Robinul-neostig_Neostigmine metilsulfate_Prostigmine_Neostigmini metilsulfas_Intrastigmina_,,,,,,,,
CHEMBL215645,,1,2.76,1,1,2.41,None,8.8,400.43,3,4,0,0,18,BASE,250.34,250.1681,0,0,32.78,0.82,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)C(O)C(O)C(=O)O,Exelon_ENA 713_Rivastigmine actavis_Rivastigmine bitartrate_Rivastigmine hydrogentartrate_Rivastigmine tartrate_Rivastigmine Tartrate_Rivastigmine hydrogen tartrate_Sdz-ena 713_,,,,,,,,
CHEMBL378544,,1,3.99,3,1.81,4.18,10.87,8.86,909.07,12,13,3,3,59,BASE,810.99,810.4204,2,2,154.1,0.18,N,7,FALSE,TRUE,FALSE,0,FALSE,1,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O,Vincaleukoblastine sulfate_Vinblast,lederle_Alkaban-aq_Vinblastine sulphate_Vlb monosulfate_Vinblastine sulfate_Vinblastini sulfas_29060-LE_Velbe_NSC-49842_29060LE_Velban_,,,,,,,
CHEMBL1419,A08AA10_,0,4.74,1,2.86,5.2,None,9.77,279.86,1,1,0,0,19,BASE,279.86,279.1754,0,0,3.24,0.75,N,5,TRUE,FALSE,FALSE,0,TRUE,0,CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,Cf-alli_Racemic sibutramine_Medaria_Sibutramine_Reductil_Butramin_,,,,,,,,
CHEMBL1420,V03AB04_,2,0.32,1,-3.44,-3.26,7.63,None,137.16,2,3,1,1,10,NEUTRAL,137.16,137.0709,0,0,36.47,0.26,Y,1,TRUE,TRUE,FALSE,0,FALSE,0,C[n+]1ccccc1C=NO,Pralidoxime cation_Pralidoxime ion_Duodote_Pralidoxime_Atnaa_,,,,,,,,
CHEMBL278703,,1,4.12,2,4.11,4.11,9.35,None,282.34,3,3,2,2,21,NEUTRAL,282.34,282.1256,0,0,49.69,0.83,N,1,FALSE,FALSE,FALSE,0,FALSE,0,Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1,Serba-1_LY500307_Erteberel_LY-500307_,,,,,,,,
CHEMBL218394,J05AP03_,0,1.71,0,1.78,1.78,12.44,None,519.69,5,10,4,5,37,NEUTRAL,519.69,519.3421,1,1,150.7,0.36,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C,Victrelis_SCH-503034_EBP 520_Boceprevir_EBP-520_SCH 503034_,,,,,,,,
CHEMBL385517,,0,1.16,0,-0.7,-0.08,None,7.9,315.42,4,5,2,3,23,NEUTRAL,315.42,315.1947,0,0,90.35,0.8,N,2,TRUE,FALSE,FALSE,0,FALSE,0,N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,Saxagliptin_BMS-477118-11_BMS-477118_,,,,,,,,
CHEMBL384304,,2,1.41,2,0.94,0.95,None,6.01,441.46,8,9,2,3,30,NEUTRAL,441.46,441.1282,0,0,127.51,0.64,N,6,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,Ro-4584820_R 547_Rg-547_R-547_RG-547_Ro 4584820_RO4584820_,,,,,,,,
CHEMBL217092,,2,3.94,3,2.66,3.2,12.61,7.79,542.04,10,10,1,1,38,NEUTRAL,542.04,541.2092,1,1,90.44,0.45,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1,Azd-0530_AZ-10353926_AZD-0530_Saracatinib_AZD0530_,,,,,,,,
CHEMBL1421,L01EA02_,2,3.31,3,3.74,3.83,8.52,7.19,488.02,9,9,3,3,33,NEUTRAL,488.02,487.1557,0,0,106.51,0.47,N,7,TRUE,FALSE,FALSE,0,FALSE,0,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,Dasatinib_Sprycel_Dasatinib anhydrous_BMS-354825_Dasatinib monohydrate_BMS-354825-03_Dasatinib hydrate_BMS-354825 HYDRATE_NSC-759877_,,,,,,,,
CHEMBL414157,,2,3.16,2,0.33,3.29,4.16,2.45,416.52,6,8,2,2,30,ACID,416.52,416.2424,0,0,109.98,0.69,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CCCn1c(=O)c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O,BG-9928_BG9928_Tonapofylline_,,,,,,,,
CHEMBL415049,,2,3.62,4,0.57,1.42,1.12,9.49,587.55,9,13,5,5,41,ZWITTERION,587.55,587.2057,2,1,174.82,0.1,N,15,FALSE,FALSE,FALSE,1,FALSE,0,CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O,AZD1152_AZD 1152_Azd-1152_AZD-1152_Barasertib (who-dd)_Barasertib_,,,,,,,,
CHEMBL1422,A10BH01_,1,2.02,2,-0.14,1.26,None,8.78,407.32,5,6,1,2,28,BASE,407.32,407.1181,0,0,77.04,0.62,N,4,TRUE,FALSE,FALSE,0,FALSE,0,N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F,LEZ-763_LEZ763_Sitagliptin_Januvia_MK-0431_,,,,,,,,
CHEMBL1423,N05AG02_,2,5.86,4,4.8,5.83,12.9,8.38,461.56,3,4,1,1,34,NEUTRAL,461.56,461.2279,1,1,41.03,0.37,N,7,TRUE,FALSE,FALSE,0,FALSE,0,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,R 623_R-6238_NSC-170984_MCN-JR-6238_Orap_Pimozide_R 6238_R-623_,,,,,,,,
CHEMBL386630,G03BA03_,1,3.88,0,3.37,3.37,None,None,288.43,2,2,1,1,21,NEUTRAL,288.43,288.2089,0,0,37.3,0.73,N,0,FALSE,TRUE,TRUE,0,FALSE,1,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,Androderm_Testim 1%_Striant sr_Vogelxo_TESTIM_Striant_Testoderm tts_Andropatch_Androgel 1%_Testosterone_Intrinsa_Testopatch_Testogel_Testim_Delatestryl_Testoral_Natesto_Testosterone ciii_Testoderm_Fortesta_Tostran_Axiron_Testopel_NSC-9700_Androgel_,,,,,,,,
CHEMBL1425,,2,0.64,2,0.11,0.35,7.51,2.19,152.18,4,4,2,1,10,NEUTRAL,152.18,152.0157,0,0,54.46,0.43,N,0,TRUE,FALSE,FALSE,1,FALSE,0,Sc1ncnc2nc[nH]c12,Mercaptopurine_Mercaptopurine anhydrous_Purinethol_,,,,,,,,
CHEMBL219916,A03FA03_,2,3.35,4,2.75,2.9,12.52,7.03,425.92,5,7,2,2,30,NEUTRAL,425.92,425.1619,0,0,78.82,0.51,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,R-33812_Domilium_NSC-759575_NSC-299589_R 33,812_Domperidone_Evoxin_Motilium_Motilium instants_Vivadone_Motilium 10_,,,,,,,
CHEMBL181,V03AH01_C02DA01_,2,1.87,1,1,1,None,None,230.68,3,4,1,1,14,NEUTRAL,230.68,229.9917,0,0,58.53,0.74,Y,0,TRUE,TRUE,FALSE,0,FALSE,0,CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,NSC-64198_SCH-6783_Diazoxidum_Diazoxide_Hyperstat_Eudemine injection_Eudimine_Mutabase_SRG 95213_SRG-95213_SCH 6783_Eudemine_Proglycem_Hypertonalum_NSC-76130_,,,,,,,,
CHEMBL216981,,1,2.9,3,2.48,2.56,8.06,None,397.43,7,8,3,3,29,NEUTRAL,397.43,397.1638,0,0,111.88,0.42,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1,Navarixin_PS291822_PS-291822_SCH527123_SCH-527123_Mk-7123_,,,,,,,,
CHEMBL220360,,1,6.31,3,6.8,6.8,13.74,1.59,515.96,4,5,1,1,36,NEUTRAL,515.96,515.1587,2,2,75.01,0.38,N,8,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1,Taranabant_Mk0364_MK-0364_MK-0634_Mk-0364_,,,,,,,,
CHEMBL374478,J04AB02_,1,4.34,2,2.87,2.95,6.8,7.37,822.95,15,16,6,6,59,NEUTRAL,822.95,822.4051,3,3,220.15,0.11,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,Rifaldazine_NSC-113926_Rifaldin_Rifaprodin_L-5103-LEPETIT_BA 411661E_Rifampicin_Rimactan_Rifamycin amp_Rifoldin_NIH-10782_L-5103 LEPETIT_Rifadine_Rifadin_Rifampin_Rimactane_BA-41166E_Abrifam_Eremfat_L-5103_Rifapiam_Rifampicinum_,,,,,,,,
CHEMBL218650,J04AK06_,1,4.97,3,6.14,6.14,None,5.51,534.49,9,10,0,0,38,NEUTRAL,534.49,534.1726,1,1,101.12,0.3,N,8,FALSE,FALSE,FALSE,0,FALSE,0,C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1,Deltyba_Opc 67683_Delamanid_OPC-67683_,,,,,,,,
CHEMBL1428,C08CA06_,0,2.97,1,2.54,2.54,None,None,418.45,8,9,1,1,30,NEUTRAL,418.45,418.174,0,0,117,0.3,N,8,TRUE,FALSE,FALSE,0,FALSE,1,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,Nemotan_Nimodipine_Nimodipine ap_Nimotop_NSC-758476_BAY E 9736_Nymalize_BAY-E-9736_Periplum_Admon_,,,,,,,,
CHEMBL384467,R01AD53_A01AC02_R01AD03_S02BA06_S03BA01_D07AB19_D10AA03_S01CB01_C05AA09_D07XB05_H02AB02_S01BA01_,1,1.9,0,1.68,1.68,12.42,None,392.47,5,5,3,3,28,NEUTRAL,392.47,392.1999,0,0,94.83,0.67,N,2,TRUE,TRUE,TRUE,0,FALSE,0,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,Dexacort_Spersadex comp_Neodecadron_Fluormethylprednisolone_Martapan_Dexone 4_Oradexon_Dexone 0.75_Dexafree_Dexycu kit_OTO-104_Tobradex_Dalalone_Maxitrol_Dexamethasone valerate_Dexone 0.5_Dexone 1.5_Dexamethasone palmitate_Mymethasone_Dexair_Otomize_Dexsol_Hemady_Maxidex_Hexadrol_ISV-305_Decaspray_Dexacen-4_Dexamethasone intensol_Dexone_Dropodex_Kortico Injection_Dexycu_Aeroseb-dex_Dexacortisyl_Decadron_Dexamethasone metasulfobenzoate sodium_Decadron-LA_Sofradex_Ozurdex_Dextenza_NSC-34521_Decaderm_Decadron-75_Dexamethasone_Gppe ear spy_,,,,,,,,
CHEMBL182,S01AD09_J05AB06_,2,-1.56,2,-1.19,-1.19,11.58,1.01,255.23,9,9,4,5,18,NEUTRAL,255.23,255.0968,0,0,139.54,0.5,N,5,TRUE,TRUE,TRUE,1,FALSE,1,Nc1nc(O)c2ncn(COC(CO)CO)c2n1,NSC-759656_Valganciclovir hydrochloride impurity a_BW-759U_Ganzyk-rtu_Virgan_Vitrasert_Ganciclovir_BW 759U_Gancyclovir_Cymevene_Cytovene_Zirgan_RS-21592_,,,,,,,,
CHEMBL184,J05AB01_S01AD03_D06BB53_D06BB03_,2,-0.92,2,-0.56,-0.56,11.58,1.01,225.21,8,8,3,4,16,NEUTRAL,225.21,225.0862,0,0,119.31,0.58,N,4,TRUE,TRUE,TRUE,1,FALSE,0,Nc1nc(O)c2ncn(COCCO)c2n1,Acycloguanosine_Zovirax_Soraway_Virovir 800_Lypsyl_Ranovir_Virasorb_Virovir 400_Lipsore_Aciclovir_Clearsore_Soothelip_Cymex ultra_Aviral_Cyclovir_Duvimex_Avaclyr_Gerpevir_Novirus_NSC-758477_Avert_Virovir 200_Herpetad_Aciclovirum_NSC-645011_Sitavig_Viralief_Acyclovir_,,,,,,,,
CHEMBL375611,,1,-2.1,0,-8.29,-4.86,1.12,8.08,235.22,5,7,3,4,15,ACID,235.22,235.0151,0,0,134.76,0.5,N,2,FALSE,FALSE,FALSE,0,FALSE,0,N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21,Pomaglumetad_LY-404039_Ly404039_Ly 404039_Ly-404039_LY404039_LY-404039, (-)-_,,,,,,,
CHEMBL374731,J05AF11_,1,-1.51,1,-1.12,-1.12,9.96,None,242.23,6,7,3,3,17,NEUTRAL,242.23,242.0903,0,0,104.55,0.58,N,2,TRUE,FALSE,FALSE,1,FALSE,1,Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O,LDT-600_Telbivudine_Sebivo_Tyzeka_LDT600_NV-02B_2'-deoxy-l-thymidine_,,,,,,,,
CHEMBL218490,S01EC03_,1,0.61,1,-0.07,-0.12,8.16,6.88,324.45,6,6,2,3,19,NEUTRAL,324.45,324.0272,0,0,106.33,0.85,N,3,FALSE,FALSE,TRUE,0,FALSE,0,CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,Trusopt_Dorzant_MK-507_Dorzolamide_Dorzolamide, trans-(-)-_,,,,,,,
CHEMBL220491,S01EC04_S01EC54_,1,0.09,1,-0.55,-0.58,8.18,6.5,383.52,7,8,2,3,23,NEUTRAL,383.52,383.0643,0,0,118.8,0.64,N,7,FALSE,FALSE,TRUE,0,FALSE,0,CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,Azopt_AL-4862_Brinzolamide_NSC-760050_,,,,,,,,
CHEMBL220492,N03AX11_,1,-0.4,0,0.13,0.13,11.09,None,339.37,8,9,1,2,22,NEUTRAL,339.37,339.0988,0,0,115.54,0.74,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,Sincronil_Topina_(-)-topiramate_Topamax_Topamac_Trokendi xr_USL255_Epitomax_MCN-4853_Topiramate_Qudexy_RWJ-17021_Topomax_USL-255_Qudexy xr_RWJ-17021-000_Topamax sprinkle_Topimax_Epitoma_,,,,,,,,
CHEMBL218427,,1,4.05,3,-1.48,-0.5,8.74,8.14,764.8,8,12,2,3,51,NEUTRAL,764.8,763.2806,2,1,144.16,0.26,N,12,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1,Fasitibant_Fasitibant ion_MEN-16132 FREE BASE_Fasitibant cation_MEN-16132_,,,,,,,,
CHEMBL219586,,2,5.31,3,1.65,4.92,3.78,0.93,478.49,5,6,2,2,33,ACID,478.49,478.1174,1,1,88.52,0.48,N,7,FALSE,FALSE,FALSE,0,FALSE,0,Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,Gw590735_GW590735_,,,,,,,,
CHEMBL373742,,1,None,None,None,None,None,None,1084.25,None,None,None,None,None,NA,1084.25,1083.4379,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,Vasophysin_Vasopressin injection_Arginine vasopressin_Argipressin or lypressin_Vasopressin, unspecified_Arginine Vasopressin_Vasostrict_Pitressin_Vasopressin_Leiormone_Beta-Hypophamine_,,,,,,,
CHEMBL1429,H01BA02_,1,None,None,None,None,None,None,1069.24,None,None,None,None,None,NA,1069.24,1068.427,None,None,None,None,None,None,TRUE,TRUE,TRUE,0,FALSE,1,N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,Desmopressin_H01BA02_,,,,,,,,
CHEMBL220808,,1,4.37,3,2.82,4.29,None,8.86,348.42,3,3,1,1,26,BASE,348.42,348.1638,0,0,34.15,0.74,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1,EMD-77697_Sarizotan_,,,,,,,,
CHEMBL426559,,1,4.39,3,0.69,3.87,3.97,None,435.9,4,5,1,1,29,ACID,435.9,435.0707,0,0,76.37,0.64,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3,Laropiprant_MK-0524_Cordaptive_,,,,,,,,
CHEMBL221959,L04AA29_,1,1.54,2,1.19,1.24,9.15,6.44,312.38,5,7,1,1,23,NEUTRAL,312.38,312.1699,0,0,88.91,0.93,N,3,TRUE,FALSE,FALSE,0,FALSE,1,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,CP690,550_CP690550_550_CP-690-550_CP- 690 550_CP 690550_CP-690550_CP-690,550_CP-690550 FREE BASE_Tasocitinib_Tofacitinib_Cp-690 free base_CP-690,550 FREE BASE_CP-690_,,,,,
CHEMBL185,L01BC02_L01BC52_,2,-0.8,1,-1.08,-0.66,7.18,None,130.08,2,4,2,2,9,NEUTRAL,130.08,130.0179,0,0,65.72,0.48,N,0,FALSE,TRUE,TRUE,0,FALSE,0,O=c1[nH]cc(F)c(=O)[nH]1,Fluorouracil_5-fluoruracil_Actikerall_Queroplex_RO-2-9757_RO-29757_Efudex_Phthoruracil_Fluoro-uracil roche_RO 2-9757_5.f.u._Accusite_Fluoroplex_Adrucil_5-FU_NSC-19893_Tolak_5 FU_Fluracil_Fluorouracilum_Carac_Fluorouricil_Efudix_5-Fluorouracil_,,,,,,,,
CHEMBL1430,M01CC01_,1,0.11,0,-2.15,-2.15,2.56,9.09,149.22,3,3,3,3,9,ZWITTERION,149.22,149.051,0,0,63.32,0.49,N,2,TRUE,FALSE,FALSE,0,FALSE,1,CC(C)(S)[C@@H](N)C(=O)O,D Penicillamine_Trolovol_Distamine_Penicillamine_D-3-mercaptovaline_NSC-758421_NSC-81549_Depen_D Mercaptovaline_Cuprimine_Dimethylcysteine_,,,,,,,,
CHEMBL1431,A10BA02_,2,-1.03,0,-5.62,-0.92,None,12.33,129.17,2,5,4,5,9,BASE,129.17,129.1014,0,0,88.99,0.25,N,0,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)C(=N)NC(=N)N,Metformin extended release_Metformin_LA-6023_,,,,,,,,
CHEMBL222460,,2,4.11,3,3.58,3.61,8.46,None,383.75,3,4,3,3,26,NEUTRAL,383.75,383.0536,0,0,73.32,0.64,N,3,FALSE,FALSE,FALSE,0,FALSE,0,O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1CCO,Bms-223131_,,,,,,,,
CHEMBL376897,A03BB03_S01FA03_,1,1.06,1,-3.27,-3.27,None,None,318.39,4,5,1,1,23,NEUTRAL,318.39,318.17,0,0,59.06,0.51,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,N-methylhyoscine_Methylscopolamine_N-methylscopolamine_Methscopolamine cation_Methscopolamine ion_(-)-n-methylscopolamine_,,,,,,,,
CHEMBL223360,,2,4.9,4,4.51,4.51,10.4,3.37,375.41,3,6,4,5,28,NEUTRAL,375.41,375.1495,0,0,95.83,0.41,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1,Linifanib_RG-3635_ABT-869_A-741439_AL-39324_,,,,,,,,
CHEMBL1433,,1,-0.35,1,-3.57,-3.29,2.92,7.46,444.44,9,10,6,7,32,ACID,444.44,444.1533,1,1,181.62,0.33,N,2,TRUE,TRUE,TRUE,0,FALSE,1,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21,Doxycycline (anhydrous)_Anhydrous doxycycline_,,,,,,,,
CHEMBL1434,A01AB23_D10AF07_J01AA08_,1,0.19,1,-2.61,-2.54,2.9,7.9,457.48,9,10,5,6,33,ACID,457.48,457.1849,1,0,164.63,0.4,N,3,TRUE,TRUE,TRUE,0,FALSE,0,CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,Minocycline_,,,,,,,,
CHEMBL1435,J01DB04_,1,-0.64,2,-5.01,-1.52,2.84,0.26,454.52,12,12,2,2,29,ACID,454.52,454.03,1,1,156.09,0.41,N,7,FALSE,TRUE,FALSE,0,FALSE,0,Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1,Cephazolin_SK&F-41558_Cefazolin_J01DB04_,,,,,,,,
CHEMBL1436,J01DC02_S01AA27_,1,-0.54,1,-4.38,-0.9,2.96,None,424.39,9,12,3,4,29,ACID,424.39,424.0689,1,0,173.76,0.3,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1,Kefurox_640/359_Cefuroxime acid_Cefuroximine_Zinacef_Cefuroxime_,,,,,,,,
CHEMBL222645,J01CF05_,1,2.69,2,-0.84,2.44,3.75,None,453.88,6,8,2,2,30,ACID,453.88,453.0561,0,0,112.74,0.68,N,4,FALSE,FALSE,FALSE,0,FALSE,0,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,Ladropen_Zoxin 250_Floxacillin sodium anhydrous_Staphlipen_Abboflox_Flucloxacillin sodium anhydrous_Floxacillin_Flucloxin_Flucloxacillin sodium_Culpen_Fluclomix-500_BRL 2039_Zoxin 500_Stafoxil_Staphylex_Fluclomix-250_BRL-2039_NSC-277175_Rimaflox_Floxapen_Flucloxacillin_Galfloxin_Floxacillin sodium_,,,,,,,,
CHEMBL186,J01DE01_,1,-1.28,1,-3.45,-4.22,2.82,3.62,480.57,10,11,2,3,32,ACID,480.57,480.125,1,0,150.04,0.21,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1,Cefepime_BMY-28142_Renapime_J01DE01_VNRX-5022_Maxipime_,,,,,,,,
CHEMBL374975,J01XC01_S01AA13_D06AX01_D09AA02_,1,5.67,0,1.58,4.42,4.46,None,516.72,5,6,3,3,37,ACID,516.72,516.3451,2,2,104.06,0.25,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O,Ramycin_Fusidic acid_Fucithalmic_SQ-16603_NSC-56192_SQ 16,603_Fusidate_Anhydrous fusidic acid_CEM-102_Taksta_Fucidin caviject_,,,,,,,
CHEMBL222559,J05AE09_,1,7.33,3,3.45,7.14,4.43,None,602.68,6,7,2,2,42,ACID,602.68,602.2062,2,2,105.59,0.22,N,11,TRUE,FALSE,FALSE,0,FALSE,1,CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1,Aptivus_Tipranavir_U-140690_,,,,,,,,
CHEMBL222863,,1,-1.51,0,-3.2,-2.78,7.18,None,584.66,12,12,8,8,41,NEUTRAL,584.66,584.2833,3,3,206.6,0.14,N,4,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,NSC-25485_Ouabain_,,,,,,,,
CHEMBL1437,C01CA03_,1,0.09,1,-1.82,-0.68,9.5,8.85,169.18,4,4,4,5,12,BASE,169.18,169.0739,0,0,86.71,0.47,N,2,FALSE,FALSE,FALSE,0,FALSE,0,NC[C@H](O)c1ccc(O)c(O)c1,Levophed_(-)-noradrenaline_Nor adrenalin_Norepinephrine_R-norepinephrine_NSC-757246_,,,,,,,,
CHEMBL222813,J05AH01_,1,-3.58,0,-5.77,-5.77,3.49,11.64,332.31,7,11,8,9,23,ZWITTERION,332.31,332.1332,2,1,198.22,0.18,N,6,FALSE,FALSE,TRUE,0,FALSE,0,CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO,GR 121167X_GR-121167X_Relenza_Zanamivir_GG-167_GG167_GR-121167_,,,,,,,,
CHEMBL1439,,1,-1.52,1,-4.89,-1.4,2.86,0.75,322.28,7,9,1,1,20,ACID,300.3,300.0528,0,0,122.46,0.67,N,3,FALSE,TRUE,FALSE,0,FALSE,0,C[C@]1(Cn2ccnn2)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O.[Na+],Tazobactam (as sodium)_Tazobactum sodium_CL-307579_Tazobactam sodium_Tazocillin_CL 307,579_Tazobactam sodium salt_,,,,,,,
CHEMBL224325,G01AC03_R02AA11_P01AA04_D08AH02_,2,3.56,2,2.6,3.17,6.99,4,228.08,2,2,1,1,14,NEUTRAL,228.08,226.9905,0,0,33.12,0.75,N,0,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,NSC-755830_Clorquinaldol_Steroxin_Chlorquinaldol_,,,,,,,,
CHEMBL376140,J01AA12_,1,0.51,1,-3.41,-3.26,2.84,8.61,585.66,11,13,7,8,42,ZWITTERION,585.66,585.2799,3,3,205.76,0.18,N,6,FALSE,TRUE,FALSE,0,FALSE,1,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,Tigecycline_Tygacil_WAY-GAR-936_,,,,,,,,
CHEMBL376488,J04AK05_,1,7.13,5,5.61,7.13,13.61,8.91,555.52,4,4,1,1,37,BASE,555.52,554.1569,2,2,45.59,0.22,N,8,TRUE,FALSE,FALSE,0,FALSE,1,COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12,Sirturo_R-207910_TMC-207_TMC207_Bedaquiline_R207910_,,,,,,,,
CHEMBL1440,D06AA04_S03AA02_S01AA09_S02AA08_A01AB13_J01AA07_,1,-0.21,1,-3.7,-3.47,2.91,8.81,444.44,9,10,6,7,32,ZWITTERION,444.44,444.1533,1,1,181.62,0.34,N,2,TRUE,FALSE,FALSE,0,TRUE,0,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,Liquamycin_NSC-108579_Panmycin_Sustamycin_Tetrabid organon_Tetracyn_Cyclopar_Supramycin_Tetracycline_Vetquamycin_Achromycin v_Achromycin_E701_Economycin_,,,,,,,,
CHEMBL1441,J04AD03_,2,1.28,1,1.33,1.33,11.89,5,166.25,2,2,1,2,11,NEUTRAL,166.25,166.0565,0,0,38.91,0.67,Y,2,TRUE,FALSE,FALSE,1,FALSE,0,CCc1cc(C(N)=S)ccn1,1314-TH_Nizotin_1314 TH_BAYER 5312_Trecator_Trecator-sc_Ethionamidum_NSC-255115_Ethionamide_,,,,,,,,
CHEMBL225071,L01BA03_,1,1.98,3,-4.21,1.97,3.72,1.24,458.5,7,10,4,4,32,ACID,458.5,458.126,0,0,152.69,0.38,N,9,FALSE,FALSE,FALSE,0,FALSE,0,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,Tomudex_ZD-16_Raltitrexed_ZD1694_ZD-1694_,,,,,,,,
CHEMBL225072,L01BA04_,1,0.67,3,-5.55,0.43,3.34,2.97,427.42,6,11,6,7,31,ACID,427.42,427.1492,2,1,191.26,0.29,N,9,FALSE,TRUE,FALSE,0,FALSE,0,Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,LY231514_Pemetrexed_LY-231514_Pemfexy_NSC-698037_Alimta_LY-2315_,,,,,,,,
CHEMBL387675,J01XX09_,1,None,None,None,None,None,None,1620.69,None,None,None,None,None,NA,1620.69,1619.7104,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C,LY 146032_Daptomycin_Cidecin_LY-164032_Cubicin rf_Dapcin_Cubicin_LY-146032_,,,,,,,,
CHEMBL389621,A07EA02_S01CB03_D07XA01_S01BA02_D07AA02_A01AC03_R01AD60_C05AA01_H02AB09_S02BA01_,1,1.78,0,1.28,1.28,12.59,None,362.47,5,5,3,3,26,NEUTRAL,362.47,362.2093,0,0,94.83,0.7,N,2,TRUE,TRUE,TRUE,0,FALSE,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,Hydroderm hc_FLEXICORT_Anflam_Jungle for_Epicort_Cipro hc_Hydrocortone_Tri-cicatrin_Xyloproct_Nybadex_Anucort-Hc_Acticort_Cortenema_NSC-10483_Proctofoam hc_Proctosedyl_Medicort_Anusol soothing relief_Plenadren_Dermacort_Daktacort_Eurax-hc_Otoseptil_Perinal_Hydro-rx_Locoid_Cor-Oticin_Nystaform-hc_Uniroid hc_Hc #4_Quinocort_Germoloids hc_Hydroderm_Alphaderm_Cortenem_Hydrocortisone_Ala-scalp_Otosporin_Exe-cort_Eldecort_Derma care hydrocort_Proctocort_Acetasol hc_Hydrocort in wte soft paraf_Flexicort_Nutracort_Evacort_Hydrocort in cetomacrogol for a_Dome-cort_Anusol hc_Hi-cor_Econacort_Hydrocort in calamine oily_Cortifoam_Eurax-hydrocort_Stie-cort_Alkindi sprinkle_Hydrocortisone in absorbase_Cortril_U-Cort_Penecort_Corlan_Neo-Cortef_Efcortelan p_Cetacort_Balneol-hc_Micort-HC_Anusol plus hc_Daktacort hydrocort_Synacort_Sential hc_Uniroid_Colocort_Hc #1_Cortef_Cort-dome_Texacort_Dermaspray demang_Dioderm_Aeroseb-hc_Terra-Cortril_Anusol-Hc_Beta-hc_H-cort_Hc (hydrocortisone)_Timodine_Ala-cort_Proctocream hc_Nogenic hc_Zenoxone_Cortisol_Anugesic hc_Mildison lipocream_Timocort_Cobadex_Calmurid hc_Hytone_Canesten hc_Terra-cortril nystatin_Glycort_Topisone_Gregoderm_Ophthocort_,,,,,,,,
CHEMBL1443,J01CF06_,1,2.48,2,-1.13,2.29,3.31,None,414.48,5,7,2,2,29,ACID,414.48,414.1249,0,0,95.94,0.73,N,5,TRUE,TRUE,FALSE,0,FALSE,0,CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,Unipen_Nafcillin_Nallpen_,,,,,,,,
CHEMBL388590,M04AB03_,2,5.46,3,3.69,5.55,5.11,None,424.09,3,3,1,1,22,ACID,424.09,421.9153,1,1,50.44,0.57,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,Desuric_MJ-10061_NSC-85433_Benzbromaron_Benzpromarone_MJ 10061_Narcaricin mite_Uroleap_L-2214_Benzbromarone_,,,,,,,,
CHEMBL1444,L02BG04_,2,2.66,3,2.94,2.94,None,1.89,285.31,5,5,0,0,22,NEUTRAL,285.31,285.1014,0,0,78.29,0.74,N,3,TRUE,FALSE,FALSE,0,FALSE,0,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,CGS-20267_NSC-759652_Femara_CGS 20267_Letrozole_,,,,,,,,
CHEMBL223228,J05AG03_,1,4.07,1,4.46,4.46,12.52,None,315.68,2,3,1,1,21,NEUTRAL,315.68,315.0274,0,0,38.33,0.73,N,0,TRUE,FALSE,FALSE,0,FALSE,0,O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,Sustiva 600_Efavirenzum_Efavirenz teva_Viraday_NSC-742403_Stocrin_Efavirenz_Sustiva_,,,,,,,,
CHEMBL227529,,1,0.39,2,-0.87,1.16,None,9.47,461.52,7,7,1,2,25,BASE,339.4,339.1695,0,0,97.05,0.87,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1,Alogliptin (as benzoate)_SYR 322_Nesina_SYR-322_Alogliptin benzoate_,,,,,,,,
CHEMBL1445,G03BA01_,1,3.33,0,2.38,2.38,13.6,None,336.45,3,3,2,2,24,NEUTRAL,336.45,336.2101,0,0,57.53,0.71,N,0,TRUE,FALSE,FALSE,0,FALSE,0,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Halotestin_Fluoxymesterone_Fluoxymesterone ciii_NSC-12165_Androxy_NSC-10704_Ora-testryl_Android-f_Fluoximesterone_,,,,,,,,
CHEMBL376359,A10BH04_,1,0.39,2,-0.87,1.16,None,9.47,339.4,7,7,1,2,25,BASE,339.4,339.1695,0,0,97.05,0.87,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O,Vipidia_Alogliptin_,,,,,,,,
CHEMBL1446,,1,-7.29,0,-12.2,-7.06,12.05,9.34,582.58,15,15,11,15,33,BASE,484.5,484.2381,2,2,282.61,0.17,N,6,TRUE,TRUE,FALSE,0,FALSE,0,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O,Kanamycin a sulfate_Kanamycin monosulphate_Kanamycin sulfate_Klebcil_NSC-757068_Kantrex_Kanamycin monosulfate_Kanamycin a sulphate_,,,,,,,,
CHEMBL1447,J01FF02_,1,-0.86,0,-0.99,-0.32,12.37,7.97,406.55,8,8,5,5,27,NEUTRAL,406.55,406.2138,0,0,122.49,0.37,N,7,TRUE,TRUE,FALSE,0,FALSE,1,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1,U-10149_Lincomycin_U-10,149_Lincolnensin_,,,,,,,
CHEMBL1448,P02DA01_,2,3.86,2,3.29,3.91,6.89,None,327.12,4,6,2,2,21,NEUTRAL,327.12,325.9861,0,0,92.47,0.66,N,3,TRUE,FALSE,FALSE,0,FALSE,0,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,Niclosamide, anhydrous_Niclosamide (anhydrous)_Niclosamidum anhydrous_NSC-178296_Nicloside_BAY 2353_Niclosamide_Niclosamide anhydrous_Yomesan_BAY-2353_WR 46234_Niclocide_Lintex_Ex A Lint_,,,,,,,
CHEMBL1449,J01CA13_,1,0.55,1,-5.97,0.6,3.09,None,384.44,6,8,3,3,25,ACID,384.44,384.045,0,0,124.01,0.5,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,Ticarcillin_,,,,,,,,
CHEMBL1450,P01AX06_,1,5.51,2,3.33,5,5.73,None,366.84,3,3,1,1,26,ACID,366.84,366.1023,1,1,54.37,0.76,N,2,TRUE,FALSE,FALSE,0,FALSE,0,O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,566C_NSC-759582_Atovaquone_566C80_Mepron_Wellvone_,,,,,,,,
CHEMBL225411,,2,4.7,2,4.14,4.14,10.78,None,449.26,5,6,2,2,29,NEUTRAL,449.26,448.0681,0,0,76.14,0.69,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F,GW 842166X_Gw-842,166x_GW842166X_GW-842166_Gw842166x_GW 842166_GW842166_,,,,,,,
CHEMBL229128,M03BX06_,0,0.73,1,1.01,1.01,13.62,None,182.22,3,3,2,2,13,NEUTRAL,182.22,182.0943,0,0,49.69,0.72,N,4,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccccc1OCC(O)CO,Tolserol_Mephenesin_Cresoxydiol_NSC-25234_Decontractyl_,,,,,,,,
CHEMBL189,C01CE02_,2,1.62,2,0.12,0.33,7.54,4.82,211.22,3,4,1,1,16,NEUTRAL,211.22,211.0746,0,0,69.54,0.78,N,1,FALSE,TRUE,FALSE,0,FALSE,0,Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,Milrila_Milrinone_NSC-760072_WIN-47203-2_Primacor_WIN 47,203-2_,,,,,,,
CHEMBL1451,H02AB08_R03BA06_R01AD11_D07XB02_S01BA05_C05AA12_D07AB09_A01AC01_,1,0.62,0,0.24,0.24,11.75,None,394.44,6,6,4,4,28,NEUTRAL,394.44,394.1792,0,0,115.06,0.55,N,2,TRUE,FALSE,FALSE,0,FALSE,0,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,Triamcinolone_Aristocort_Volon_Fluoxiprednisolone_Delphicort_Aristocort A_Kenacort_NSC-13397_Kenalog_,,,,,,,,
CHEMBL190,R03DA04_R03DA74_R03DA54_,2,-1.04,2,-0.84,-0.81,8.44,2.44,180.17,5,6,1,1,13,NEUTRAL,180.17,180.0647,0,0,72.68,0.56,N,0,TRUE,TRUE,TRUE,0,FALSE,0,Cn1c(=O)c2nc[nH]c2n(C)c1=O,Theoclear-100_Theophylline anhydrous_Theophylline monohydrate_Theolixir_Theophyl-sr_Bronkodyl_Elixicon_Quibron_Theocin_Aerolate iii_Somophyllin-crt_Theoclear-80_Doxophylline metabolite m3_Somophyllin-t_Theochron_Pro-vent_Uni-dur_Theograd_Theophylline melting point standard_Aerolate sr_Theo-dur_Sustaire_Theoclear-200_Lasma_Quibron-t_Elixophyllin_Respbid_Theo-24_Duraphyl_Aquaphyllin_Theolair-sr_Theophylline, anhydrous_Nuelin_Aerolate jr_Slo-phyllin_Theoclear l.a.-260_Accurbron_Quibron-t/sr_Theophylline-sr_Labid_T-phyl_Nuelin sa_Elixophyllin sr_Theovent_Dimethylxanthine_Lanophyllin_NSC-2066_Theophylline,anhydrous_Theobid_Theophyl_Theophylline_NSC-757346_Nuelin sa-250_Theolair_Uniphyl_Slo-bid_Theoclear l.a.-130_Uniphyllin continus_Aerolate_Elixomin_Theobid jr._Theophyl-225_,,,,,,
CHEMBL229430,,2,5.52,4,5.03,5.12,8.03,1.98,430.41,6,6,1,1,30,NEUTRAL,430.41,430.0711,1,1,77,0.46,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1,AMG-517_Amg-517_,,,,,,,,
CHEMBL230158,,1,5.05,2,1.72,5.07,3.58,None,444.47,5,5,1,1,30,ACID,444.47,444.1218,1,1,64.99,0.49,N,11,FALSE,FALSE,FALSE,0,FALSE,0,CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,MBX-8025_RWJ-800025_Seladelpar_Mbx-8025_,,,,,,,,
CHEMBL1454,P02CE01_,1,2.15,1,2.22,2.36,None,6.98,204.3,3,2,0,0,14,NEUTRAL,204.3,204.0721,0,0,15.6,0.7,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,c1ccc([C@H]2CN3CCSC3=N2)cc1,Tetramisole, (s)-_Levamisole_TCMDC-125847_,,,,,,,
CHEMBL1455,L01XX03_,2,0.07,1,0.94,2.22,None,8.75,210.28,6,6,0,0,15,BASE,210.28,210.1593,0,0,48.39,0.7,N,3,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)c1nc(N(C)C)nc(N(C)C)n1,Altretamine_Hexalen_Hexamethylmelamine_Hexastat_NSC-13875_,,,,,,,,
CHEMBL1456,,2,2.52,1,3.45,3.47,9.76,6.19,433.5,8,8,1,1,31,NEUTRAL,433.5,433.2101,0,0,94.53,0.47,N,9,TRUE,TRUE,FALSE,1,FALSE,1,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,Mycophenolic acid 2-(4-morpholinyl)ethyl ester_Arzip_Myclausen_Mycophenolate mofetil_NSC-724229_Mycophenylate mofetil_Myfenax_NSC-758905_Cellcept_RS-61443_,,,,,,,,
CHEMBL230011,,2,2.33,4,2.77,2.77,9.25,1.8,346.35,8,8,4,6,26,NEUTRAL,346.35,346.1178,1,0,144.06,0.43,N,2,FALSE,FALSE,FALSE,0,FALSE,0,Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1,Tg100-115_TG100-115_,,,,,,,,
CHEMBL1457,R05DA03_,1,1.93,1,0.73,1.96,None,8.61,299.37,4,4,0,0,22,BASE,299.37,299.1521,0,0,38.77,0.79,N,1,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,Hydrocodone_,,,,,,,,
CHEMBL396778,N04BD03_,1,2.37,2,1.84,2.48,None,7.93,302.35,3,4,2,3,22,NEUTRAL,302.35,302.1431,0,0,64.35,0.83,N,7,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O,Safinamide_EMD-1195686_Xadago_EMD 1195686_,,,,,,,,
CHEMBL231068,G02CX02_,2,3.17,3,3.67,3.83,12.91,7.03,390.41,4,5,1,1,28,NEUTRAL,390.41,390.1667,0,0,44.27,0.74,N,4,TRUE,FALSE,FALSE,0,FALSE,1,O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1,BIMT-17_Ectris_Flibanserin_BIMT 17_BIMT-17-BS_Addyi_BIMT 17 BS_,,,,,,,,
CHEMBL266125,,1,5.23,3,2.49,5.08,12.37,10.03,644.88,6,8,3,3,46,BASE,644.88,644.3396,2,2,99.77,0.27,N,11,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1,Ibodutant_Men15596_,,,,,,,,
CHEMBL243712,N05AL05_,0,1.29,1,0.09,0.25,None,7.05,369.49,6,7,2,3,25,NEUTRAL,369.49,369.1722,0,0,101.73,0.7,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,Solian 50_APD-421_Solian 100_Solian 200_Barhemsys_APD421_DAN-2163_Aminosultopride_Solian 400_Solian_Socian_Sulamid_Amisulpride_Deniban_NSC-760085_,,,,,,,,
CHEMBL244888,A07AX03_,2,1.66,2,1.7,1.75,8.33,None,275.22,6,8,2,2,20,NEUTRAL,275.22,275.0542,0,0,117.97,0.5,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,RC-27109_Nifuroxazide_SJ000287313_NSC-759261_Ercefuryl 200_,,,,,,,,
CHEMBL242580,,2,2.44,1,1.56,2.22,6.84,None,268.36,3,3,1,1,15,NEUTRAL,207.27,207.1259,0,0,42.23,0.72,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,Ciclochem_Ciclopirox olamine_Micoxolamina_Batrafen_Ciclopirox ethanolamine salt (1:1)_Brumixol_HOE 296_NSC-336278_HOE-296_Mycoster_Dafnegin_Loprox_,,,,,,,,
CHEMBL395091,N06AX27_N01AX14_,1,2.9,1,3.15,3.35,None,7.16,237.73,2,2,1,1,16,NEUTRAL,237.73,237.092,0,0,29.1,0.86,Y,2,FALSE,FALSE,TRUE,0,FALSE,1,CN[C@]1(c2ccccc2Cl)CCCCC1=O,Ketamine, (s)-_Ketaved_(-)-ketamine_S-(-)-ketamine_Keta-s_S-ketamine_Ketamine, s-_Esketamine_L-ketamine_Jnj-54135419_,,,,,,
CHEMBL1460,J05AF02_,1,-0.21,2,-0.88,-0.87,8.93,0.6,236.23,6,7,2,2,17,NEUTRAL,236.23,236.0909,0,0,93.03,0.75,N,2,TRUE,FALSE,FALSE,1,FALSE,1,O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1,Didanosinum_Didanosine_NSC-612049_Videx_(-)-didanosine_Videx ec_Dideoxyinosine (ddi)_BMY-40900_Ddi_Didanosine system suitability mixture_,,,,,,,,
CHEMBL414357,A10BJ01_,1,None,None,None,None,None,None,4186.64,None,None,None,None,None,NA,4186.64,4184.0273,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,1,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,AC2993_Exenatide_AC2993A_LY2148568_Byetta_AC-002993_AC-2993LAR_AC-2993A_AC 2993_Bydureon bcise_LY-2148568_AC-2993_Bydureon_Exendin 4_DA-3091_Exenatide synthetic_EXENDIN-4_Exenatide Synthetic_ITCA-650_AC002993_Bydureon pen_,,,,,,,,
CHEMBL244243,,1,6.6,3,3.36,5.56,13.3,9.62,771.88,6,10,1,1,56,BASE,771.88,771.3608,2,2,102.5,0.22,N,11,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1,Srx246_,,,,,,,,
CHEMBL395429,H01BB02_,1,None,None,None,None,None,None,1007.21,None,None,None,None,None,NA,1007.21,1006.4365,None,None,None,None,None,None,FALSE,TRUE,TRUE,0,FALSE,1,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,TNX1900_Intertocine s_Syntocinon_TTA-121_Endopituitrina_TNX-1900_Orasthin_Alpha-hypophamine_Oxytocin_Oxytocinum_Syntometrine_Pitocin_,,,,,,,,
CHEMBL231884,C05CA53_C05CA03_,1,-1.09,3,-0.79,-0.44,7.31,None,608.55,15,15,8,8,43,NEUTRAL,608.55,608.1741,3,3,238.2,0.16,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,Barosmin_Flebosten_Flebaven_Insuven_Venosmine_Varinon_Diosven_Flebavena_Flebosmil_Daflon_Tovene_Ven-detrex_Hesperidin_Hemerven_Diovenor_Litosmil_Buchu resin_NSC-758417_Diosmin_Dioven_Diosmetin 7-rutinoside_,,,,,,,,
CHEMBL1463,J02AX01_D01AE21_,2,-0.51,1,-1.01,-0.95,8.16,None,129.09,3,4,2,3,9,NEUTRAL,129.09,129.0338,0,0,71.77,0.5,N,0,TRUE,FALSE,FALSE,1,FALSE,1,Nc1[nH]c(=O)ncc1F,RO-2-9915_RO-29915_Flourocytosine_Flucytosinum_Fluorocytosine_RO 2-9915_NSC-103805_Ancoban_Ancobon_Flucytosine_Ancotil_Alcobon_,,,,,,,,
CHEMBL1464,B01AA03_,0,3.61,3,0.94,2.74,5.56,None,308.33,4,4,1,1,23,ACID,308.33,308.1049,0,0,67.51,0.75,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,NSC-59813_Warfarin_,,,,,,,,
CHEMBL397420,B01AA07_,0,3.52,3,0.49,2.68,5.09,None,353.33,6,7,1,1,26,ACID,353.33,353.0899,0,0,110.65,0.43,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O,Sinthrome_Acenocoumarin_Acenocoumarol_Nicoumalone_Mini-sintrom_NSC-760052_,,,,,,,,
CHEMBL1465,B01AA04_,0,4.04,3,2.03,3.74,5.67,None,280.32,3,3,1,1,21,ACID,280.32,280.1099,0,0,50.44,0.74,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O,Phenprocoumarole_Liquamar_Marcumar_Phenprocoumarol_Phenprocoumon_Fencumar_Phenprocumone_Marcoumar_RO-1-4849_BS-7565_,,,,,,,,
CHEMBL1466,B01AA01_,2,2.9,4,-2.22,1.94,4.85,None,336.3,6,6,2,2,25,ACID,336.3,336.0634,0,0,100.88,0.55,N,2,TRUE,FALSE,FALSE,0,FALSE,0,O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,Dicoumarolum_NSC-41834_NSC-17860_Dicoumarol_NSC-221570_Bishydroxycoumarin_Dicumarol_,,,,,,,,
CHEMBL231813,J05AP02_,1,2.45,1,2.58,2.58,11.86,0.3,679.86,8,13,4,4,49,NEUTRAL,679.86,679.4057,2,1,179.56,0.23,N,13,TRUE,FALSE,FALSE,0,FALSE,1,CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1,MP 424_LY 570310_Telaprevir_VRT-111950_VRT 111950_VX 950_Incivek_LY-570310_Incivo_VX-950_MP-424_,,,,,,,,
CHEMBL1467,M04AA01_M04AA51_,2,-0.4,0,-1.89,-1.76,7.83,0.09,136.11,3,5,2,2,10,NEUTRAL,136.11,136.0385,0,0,74.43,0.52,N,0,TRUE,TRUE,FALSE,0,FALSE,0,O=c1ncnc2[nH][nH]cc1-2,Lopurin_Zyloprim_Uricto_Zyloric_Xanthomax-300_Takanarumin_Hamarin 100_NSC-1390_BW 56-158_NSC-101655_Allopurinolum_Xanthomax-100_Hamarin 300_Aluline 300_Suspendol_Cosuric_Ledopur_Aluline 100_Aloral_Allopurinol_Caplenal_Zyloric-300_BW-56-158_,,,,,,,,
CHEMBL232943,,1,4.32,2,3.76,4.45,6.44,None,486.85,4,6,2,2,33,ACID,486.85,486.0969,0,0,84.5,0.47,N,6,FALSE,FALSE,FALSE,0,FALSE,0,COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,Mk0686_MK-0686_MK0686_,,,,,,,,
CHEMBL444633,J04AB04_,1,4.62,1,3.94,3.88,6.88,7.87,847.02,14,15,5,5,61,NEUTRAL,847.02,846.4415,2,2,205.55,0.26,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O,LM 427_LM-427_Mycobutin_Ansamycin_MYCOBUTIN_Rifabutin_,,,,,,,,
CHEMBL231779,B01AF02_,2,2.7,3,1.83,1.83,13.07,None,459.51,6,9,1,2,34,NEUTRAL,459.51,459.1907,0,0,110.76,0.63,N,5,TRUE,FALSE,FALSE,0,FALSE,1,COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,Apixaban_Eliquis_BMS-562247-01_BMS-562247_,,,,,,,,
CHEMBL396416,R05CB03_,1,-0.78,0,-6.37,-3.3,1.84,9.14,179.2,4,5,3,4,11,ZWITTERION,179.2,179.0252,0,0,100.62,0.51,N,5,FALSE,FALSE,FALSE,0,FALSE,0,N[C@@H](CSCC(=O)O)C(=O)O,Pulmoclase_Carbocistein_Mucodyne_NSC-14156_Mucolex_Rhinathiol_R05CB03_L-carbocisteine_Carbocisteine_Siroxyl_Methista_Mucolase_LJ-206_Mucocis_Mucopront_L-carbocysteine_Pectox_Transbronchin_Carbocysteine_Mucodyne fte_Lisomucil_Reomucil_Carbocysteine, dl-_Loviscol_Mucofan_LJ 206_Dl-3-(carboxymethylthio)alanine_Carbocysteine dl-form_AHR-3053_NSC-68427_Carbocit_Muciclar_,,,,,,,
CHEMBL1469,,2,2.09,1,-0.04,2.5,4.81,None,164.2,1,2,1,1,12,ACID,164.2,164.0837,0,0,37.3,0.74,N,4,TRUE,FALSE,FALSE,1,FALSE,0,O=C(O)CCCc1ccccc1,Phenylbutyrate_Phenylbutanoic acid_,,,,,,,,
CHEMBL437765,S02AA12_A07AA13_J04AB03_D06AX15_S01AA16_,1,4.75,2,3.68,4.17,7.09,None,697.78,12,13,6,6,50,NEUTRAL,697.78,697.3098,3,3,201.31,0.14,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,Rifomycin sv_Rifamycin_Rifamycin Sv_Rifamicine sv_Rifomycin_CB-01-11_M-14_,,,,,,,,
CHEMBL235668,,1,1.11,1,-1.36,0.78,10.49,11.34,242.67,5,6,3,3,16,BASE,242.67,242.0571,0,0,93.33,0.72,N,2,TRUE,FALSE,FALSE,0,FALSE,0,N=C1CCCN1Cc1nc(O)nc(O)c1Cl,Tipiracil_TPI (freebase)_MA-1_,,,,,,,,
CHEMBL1471,A04AD12_,1,4.95,3,4.51,5.22,6.59,3.63,534.43,5,7,2,2,37,NEUTRAL,534.43,534.1502,1,1,83.24,0.44,N,6,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,MK-869_Emend_NSC-748825_Cinvanti_L-754,030_MK-0869_Aprepitant_,,,,,,,
CHEMBL237500,A10BH05_,1,1.15,4,0.41,2.8,None,9.86,472.55,10,10,1,2,35,BASE,472.55,472.2335,0,0,116.86,0.44,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,BI-1356BS_Linagliptin_BS-1356-BS_Trajenta_BS 1356 BS_BI-1356-BS_Trazenta_BI 1356_BI-1356_BI 1356 BS_Tradjenta_,,,,,,,,
CHEMBL1472,V04CJ02_,1,-1.81,1,-3.33,-3.27,11.15,6.74,362.39,5,10,4,5,26,NEUTRAL,362.39,362.1703,0,0,150.28,0.47,N,6,FALSE,TRUE,FALSE,0,FALSE,0,NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,5-oxo-pro-his-pro-nh2_Thypinone_Thyrotropin-releasing factor_SYNTHETIC TRH_Synthetic TRH_Protirelin_Trh-cambridge_Relefact trh_ABBOTT-38579_Protirelin, synthetic_Thyrel trh_Thyroliberin_Thyroid releasing hormone_Thyrotropin-releasing hormone_Lopremone_A-38579_NSC-760113_Thyrotropin releasing hormone_Protirelin tartrate_,,,,,,,
CHEMBL1473,D07AC17_R01AD08_R03BA05_R01AD58_,1,4.43,0,3.72,3.72,13.61,None,500.58,6,5,1,1,34,NEUTRAL,500.58,500.1844,1,1,80.67,0.58,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Flovent_CCI 18781_Opn-375_Nasofan_Aerivio spiromax_R01AD08_Seretide 100_FLOVENT_Armonair digihaler_Sirdupla_Fluticasone_Flovent diskus 250_Fluticasone propionate _Fluticaps_PF-00241939_Seretide 500_Seretide 125_Flixonase_Sereflo_Armonair respiclick_Pirinase_NSC-759889_Seretide 250_Airflusal forspiro_Flovent diskus 100_Fluticasone propionate_Fluticasone-17-propionate_Flixotide_Flovent hfa_Cutivate_Optinose_Flonase_Flonase allergy relief_Xhance_Seretide 50_Flovent diskus 50_Flutiform_CCI-18781_,,,,,,,,
CHEMBL238071,L01CA03_,1,2.73,3,0.82,2.79,11.34,8.68,753.94,10,12,5,6,55,BASE,753.94,753.4101,3,1,164.82,0.19,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,Vindesine_COMPOUND 112531_COMPOUND-112531_,,,,,,,,
CHEMBL392149,,1,-1.36,2,-1.89,-1.89,12.45,4.68,337.34,10,10,4,4,24,NEUTRAL,337.34,337.1386,0,0,134.78,0.53,N,4,FALSE,FALSE,FALSE,0,FALSE,0,OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,Tecadenoson_CVT-510_,,,,,,,,
CHEMBL236593,,1,4.1,3,3.04,3.04,12.32,0.97,566.53,6,9,2,2,40,NEUTRAL,566.53,566.2065,1,1,103.59,0.46,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(O)nc3ncccc32)CC1,MK-0974_MK0974_Telcagepant_Mk-0974_,,,,,,,,
CHEMBL1475,D05AD01_D05BA01_,2,3.46,3,2.95,2.95,None,None,228.25,3,3,0,0,17,NEUTRAL,228.25,228.0786,0,0,43.35,0.55,N,0,TRUE,FALSE,FALSE,0,FALSE,0,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,NSC-71047_Trioxsalen_Trioxysalen_Tmp (psoralen)_Trisoralen_4,5',8-trimethylpsoralen_,,,,,,
CHEMBL1477,C10AA06_,1,4.88,2,1.15,2.67,4.05,5.58,459.56,5,6,3,3,33,ACID,459.56,459.2421,0,0,99.88,0.44,N,11,TRUE,FALSE,FALSE,0,TRUE,0,COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1,Lipobay_Baycol_Cerivastatin_,,,,,,,,
CHEMBL238465,,1,1.8,1,-0.54,1.7,None,9.68,244.12,3,3,1,1,15,BASE,244.12,243.033,0,0,28.16,0.76,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,Clc1cc(N2C[C@@H]3CN[C@@H]3C2)cnc1Cl,A-422894.0_Sofinicline_ABT-894_,,,,,,,,
CHEMBL240597,A05AA01_,1,4.48,0,0.98,3.71,4.6,None,392.58,3,4,3,3,28,ACID,392.58,392.2927,0,0,77.76,0.66,N,4,TRUE,FALSE,FALSE,0,FALSE,1,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,Chenodiol_Fluibil_Chenocedon_Chendol 125_Chenodeoxycholate_Chendol_Combidol_Chenocol_NSC-657949_Chenodesoxycholic acid_Cholanorm_Chenix_Xenbilox_Gallodesoxycholic acid_Chenic acid_Anthropodesoxycholic acid_Chendol 250_NSC-757798_Chenodeoxycholic acid_Anthropodeoxycholic acid_Chenofalk_Chenossil_Anthropododesoxycholic acid_Lithofalk_,,,,,,,,
CHEMBL1479,G03XA01_,1,4.22,1,3.46,3.46,None,0.25,337.46,3,3,1,1,25,NEUTRAL,337.46,337.2042,0,0,46.26,0.72,N,0,TRUE,FALSE,FALSE,0,FALSE,1,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,WIN-17757_NSC-270916_WIN 17,757_Danocrine_Danazol_,,,,,,,
CHEMBL1480,C08CA02_,0,3.96,1,3.44,3.44,None,None,384.26,5,5,1,1,25,NEUTRAL,384.26,383.0691,0,0,64.63,0.8,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,H-154/82_Cabren_Felotens xl_NSC-760343_Plendil_Keloc sr_Felodipine_C08CA02_Folpik xl_Felogen xl_Neofel xl_Cardioplen xl_Preslow_Parmid xl_Vascalpha_Pinefeld xl_H 154/82_,,,,,,,,
CHEMBL1481,A10BB12_,1,3.07,1,2.18,3.12,4.32,None,490.63,5,9,3,3,34,ACID,490.63,490.225,0,0,124.68,0.54,N,7,TRUE,FALSE,FALSE,0,FALSE,0,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O,HOE 490_Glimepiride_Niddaryl_HOE-490_Amaryl_NSC-759809_,,,,,,,,
CHEMBL238804,B01AC27_,2,3.9,3,2.82,3.76,3.77,1.41,496.63,7,8,1,1,35,ACID,496.63,496.2144,0,0,101.49,0.38,N,12,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,Uptravi_Selexipag_NS-304_ACT-293987_,,,,,,,,
CHEMBL1482,N07AB02_,0,0.18,0,-4.14,-4.14,None,None,161.22,2,4,1,2,11,NEUTRAL,161.22,161.1285,0,0,52.32,0.6,Y,3,TRUE,TRUE,FALSE,0,FALSE,0,CC(C[N+](C)(C)C)OC(N)=O,Bethanechol_,,,,,,,,
CHEMBL1483,P02CA03_,2,3.24,2,3.2,3.2,9.51,4.27,265.34,4,5,2,2,18,NEUTRAL,265.34,265.0885,0,0,67.01,0.83,N,4,TRUE,FALSE,FALSE,1,FALSE,0,CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,NSC-220008_Valbazen_Albendazole_SK&F 62979_Zental_SK&F-62979_Andazol_Eskazole_Albendazolum_Zentel_Albenza_,,,,,,,,
CHEMBL393220,,1,6.31,4,2.43,5.39,4.31,None,1155.36,5,7,4,4,41,ACID,558.65,558.253,2,2,111.79,0.16,N,12,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2],Atorvastatin calcium salt trihydrate_Atorvastatin calcium salt anhydrous_CI-981_Atorvastatin calcium hydrate_Atorvastatin calcium_Atorvastatin calcium anhydrous_NSC-758617_Atorvastatin calcium (anhydrous)_Lipitor_Atorvastatin calcium trihydrate_,,,,,,,,
CHEMBL1484,C08CA04_,0,3.68,2,2.78,3.56,None,8.1,479.53,8,9,1,1,35,NEUTRAL,479.53,479.2056,0,0,111.01,0.33,N,9,TRUE,TRUE,FALSE,0,FALSE,0,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,Nicardipine (stn)_Nicardipine_Perpidine_,,,,,,,,
CHEMBL191,C09CA01_,2,4.27,4,2.82,4.06,4.26,3.82,422.92,6,7,2,2,30,ACID,422.92,422.1622,0,0,92.51,0.44,N,8,TRUE,FALSE,FALSE,0,FALSE,1,CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,Losartic_Angizaar_HGP-1405_Losartan_Allisartan_Dup-89_HGP1405_NSC-758699_Lozap_,,,,,,,,
CHEMBL240624,,2,2.16,5,2.07,2.72,None,7.94,503.57,12,12,1,2,37,NEUTRAL,503.57,503.2393,2,2,125,0.3,N,9,FALSE,FALSE,FALSE,0,FALSE,0,COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,Preladenant_SCH 420814_MK-3814_SCH-420814_Sch-420814_,,,,,,,,
CHEMBL192,G04BE03_,2,1.61,3,1.16,1.23,7.63,5.98,474.59,8,10,1,1,33,NEUTRAL,474.59,474.2049,0,0,113.42,0.55,N,7,TRUE,TRUE,FALSE,0,FALSE,0,CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,Patrex_Sildenafil_Sildenafil ratiopharm_Sildenafil teva_Sildenafil actavis_Viagra_Aphrodil_Vizarsin_UK-92480_Revatio_HIP0908_Nipatra_HIP-0908_,,,,,,,,
CHEMBL398435,B01AC24_,1,2.01,3,2.28,2.28,12.94,1.06,522.58,11,10,4,4,36,NEUTRAL,522.58,522.1861,1,2,138.44,0.23,N,10,TRUE,FALSE,FALSE,0,FALSE,1,CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1,AR-C126532XX_Ticagrelor_Brilique_AZD6140_Possia_Brilinta_AZD-6140_,,,,,,,,
CHEMBL1486,,1,3.04,2,2.65,2.65,None,3.74,635.52,15,15,1,2,35,NEUTRAL,519.45,519.173,2,2,185.44,0.23,N,13,TRUE,FALSE,FALSE,1,FALSE,1,CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.O=C(O)/C=C/C(=O)O,Viread_GSK-548470_Tenofovir_PMPA_Tenofovir df_Tenofovir disoproxil fumarate_GS-1278_PMPA Prodrug_PMPA-PRODRUG_GSK548470_GS-4331-05_GS-4331-05-_Virea_PMPA PRODRUG_Tenofoviri disoproxili fumaras_,,,,,,,,
CHEMBL1487,C10AA05_,1,6.31,4,2.43,5.39,4.31,None,558.65,5,7,4,4,41,ACID,558.65,558.253,2,2,111.79,0.16,N,12,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O,Prevencor_Cardyl_Zarator_Tahor_Sortis_Atorvastatin_Lipitor_,,,,,,,,
CHEMBL1488,L01AD08_,2,0.35,1,0.39,0.41,8.76,None,252.1,3,5,2,2,15,NEUTRAL,252.1,251.0228,0,0,68.96,0.74,N,5,TRUE,FALSE,FALSE,0,FALSE,0,O=c1[nH]cc(N(CCCl)CCCl)c(=O)[nH]1,Uramustine_U-8344_NSC-34462_Uracil mustard_,,,,,,,,
CHEMBL1489,L01BC07_,1,-3.17,1,-3.07,-3.07,12.55,None,244.21,9,9,4,5,17,NEUTRAL,244.21,244.0808,0,0,143.72,0.43,N,2,FALSE,TRUE,FALSE,1,FALSE,0,Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,U-18,496_U-18496_Onureg_Ladakamycin_Vidaza_Azacitidine_5-azacitidine_NSC-102816_,,,,,,,
CHEMBL251940,N05AC01_,2,4.01,2,2.09,3.11,None,8.37,365.5,5,4,1,1,26,NEUTRAL,365.5,365.1562,0,0,50.5,0.89,N,4,FALSE,FALSE,FALSE,0,FALSE,0,N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2,Periciazine_Pericyazine_Propericiazine_SKF-20716_SKF 20716_NSC-758641_Neulactil_RP-8909_RP 8909_,,,,,,,,
CHEMBL1490,N04AA01_,0,4.33,1,2.32,4.23,13.84,9.32,301.47,2,2,1,1,22,BASE,301.47,301.2406,0,0,23.47,0.87,N,5,TRUE,FALSE,FALSE,0,FALSE,0,OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,Apo-trihex_Trihexyphenidyl_NSC-12268_,,,,,,,,
CHEMBL253371,A03AX58_A03AX08_,2,4.57,2,2.55,5.46,None,10.44,281.44,1,1,0,0,21,BASE,281.44,281.2143,0,0,3.24,0.65,N,9,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CCCc1ccccc1)CCCc1ccccc1,Phenpropamine_Alverine_,,,,,,,,
CHEMBL1491,C08CA01_,0,2.27,1,-0.37,1.64,None,9.45,408.88,7,7,2,3,28,BASE,408.88,408.1452,0,0,99.88,0.5,N,8,TRUE,FALSE,FALSE,0,FALSE,1,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,Norvasc_HGP-0904_Amlodipine_HGP0904_Astudal 5_Norvas_CKD-330 COMPONENT AMLODIPINE_Istin_,,,,,,,,
CHEMBL253376,R05CB02_,2,4.56,1,2.59,4.42,None,9.23,376.14,2,2,1,2,18,BASE,376.14,373.9993,0,0,29.26,0.78,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1,Fluibron_Bromhexine_,,,,,,,,
CHEMBL1492,R06AA07_R06AA57_,2,3.89,2,2.18,3.66,None,8.87,281.4,2,2,0,0,21,BASE,281.4,281.178,0,0,12.47,0.84,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCC(OC(c2ccccc2)c2ccccc2)CC1,Diphenylpyraline_,,,,,,,,
CHEMBL1493,G04BD02_,2,4.41,3,3.98,4.24,None,7.29,391.47,5,5,0,0,29,NEUTRAL,391.47,391.1784,0,0,59.75,0.6,N,5,TRUE,FALSE,FALSE,0,FALSE,0,Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,Bladuril_Flavoxate_,,,,,,,,
CHEMBL250270,C08CA13_,0,6.48,3,4.45,6.41,None,9.36,611.74,8,9,1,1,45,BASE,611.74,611.2995,2,2,111.01,0.14,N,12,FALSE,FALSE,FALSE,0,FALSE,0,COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1,Lercanidipine_Lercanil_,,,,,,,,
CHEMBL1495,A03AA01_,0,2.73,1,0.86,2.62,11.54,9.27,344.46,5,5,1,1,25,BASE,344.46,344.21,0,0,62.13,0.83,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1,Oxyphencyclimine_,,,,,,,,
CHEMBL398338,,1,4.67,3,4.24,4.24,11.88,1.6,348.45,2,5,3,3,26,NEUTRAL,348.45,348.195,0,0,69.81,0.63,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2[nH]ncc12,ABT-102_Abt-102_,,,,,,,,
CHEMBL252556,N06BX13_,2,3.46,0,3.57,3.57,None,None,338.44,5,5,1,1,24,NEUTRAL,338.44,338.2093,0,0,72.83,0.44,N,12,FALSE,FALSE,FALSE,0,FALSE,0,COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O,Sovrima_Idebenone_Raxone_NSC-759228_Hydroxydecyl ubiquinone_Oristar hdu_,,,,,,,,
CHEMBL1496,C10AA07_,1,2.4,2,-1.24,1.92,4,None,481.55,7,9,3,3,33,ACID,481.55,481.1683,0,0,140.92,0.47,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O,ZD4522_Rosuvastatin_Creston_X-plended_ZD-4522_,,,,,,,,
CHEMBL1497,A07EA04_H02AB01_S01CB04_D07XC01_S01BA06_C05AA05_D07AC01_R01AD06_S03BA03_R03BA04_S02BA07_,1,3.64,0,3.71,3.71,13.41,None,476.59,6,6,2,2,34,NEUTRAL,476.59,476.2574,0,0,100.9,0.57,N,6,FALSE,FALSE,TRUE,1,FALSE,1,CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Betamethasone valerate_Valnac_Betnovate-n_Bettamousse_Beta-val_Rinderon v_Audavate_Stanoval_Betamethasone 17-valerate_Fucibet_Betamethasone (as valerate)_Bextasol_Betesil_Dermabet_NSC-755912_Tokuderm_Betaderm_Audavate rd_Betnovate-c_Xemacort_Valisone_Betameth val in coal tar_Betnovate rd_Luxiq_Betamethasoni valeras_Betacap_Betatrex_,,,,,,,,
CHEMBL404422,N05CA03_,2,0.94,0,1.35,1.61,7.48,None,212.25,3,5,2,2,15,NEUTRAL,212.25,212.1161,0,0,75.27,0.68,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CCCCC1(CC)C(=O)NC(=O)NC1=O,Butobarbital_Soneryl_Butethal_Butobarbitone_Neonal_NSC-229336_,,,,,,,,
CHEMBL398440,D08AE05_,2,2.66,1,3.29,3.3,9.21,None,156.61,1,1,1,1,10,NEUTRAL,156.61,156.0342,0,0,20.23,0.61,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(O)cc(C)c1Cl,Chloroxylenol_NSC-4971_Parachlorometoxylenol_P-chloro-m-xylenol_,,,,,,,,
CHEMBL254219,C01AA04_,1,3.25,0,3.18,3.6,7.18,0.24,764.95,13,13,5,5,54,NEUTRAL,764.95,764.4347,2,2,182.83,0.19,N,7,FALSE,TRUE,FALSE,0,FALSE,0,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,Digimerck_CRYSTODIGIN_Purpurid_Digitoxin_Tradigal_Digitalin, crystalline_Digitoxoside_Cristapurat_Nativelle digitaline_Glucodigin_Lanatoxin_NSC-7529_Crystodigin_Digitoxinum_Digitophyllin_,,,,,,,
CHEMBL1501,C05AA11_D07AC08_,1,2.94,0,2.05,2.05,13.58,None,494.53,7,7,1,1,35,NEUTRAL,494.53,494.2116,0,0,99.13,0.6,N,3,FALSE,FALSE,TRUE,0,FALSE,1,CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,Lidex-e_Lidex_Metosyn fapg_Metosyn_Fluocinolide_Vanos_NSC-101791_Fluocinonide emulsified base_Fluocinonide_,,,,,,,,
CHEMBL398707,N02AA03_,1,1.63,1,0.58,1.62,10.11,8.59,285.34,4,4,1,1,21,BASE,285.34,285.1365,0,0,49.77,0.79,N,0,TRUE,TRUE,FALSE,0,FALSE,1,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,N02AA03_Novolaudon_Dilaudid-HP_Palladone_IDS-NH-004_Hydromorphon_Dimorphone_Jurnista_Dilaudid_NSC-19046_Hydromorphone_,,,,,,,,
CHEMBL193,C08CA05_C08CA55_,2,2.18,1,1.82,1.82,None,None,346.34,7,8,1,1,25,NEUTRAL,346.34,346.1165,0,0,107.77,0.51,N,4,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],Nimodrel mr 10_Hypolar xl 30_Nifensar xl_Adipine mr 20_Angiopine 5_Coracten sr_Procardia_Coracten xl_Tensipine mr 20_Adalat_Kentipine mr 20_Unipine xl_Valni 20 ret_Adalate lp_Nifedipress mr 10_Adalat a.r._Calchan mr 20_Coracten_Nifopress ret_Coroday mr_Nivaten ret_Nifelease_Calchan mr 10_Kentipine mr 10_BAY A 1040_Adipine mr 10_BAY-A-1040_Tensipine mr 10_Nifedipine hydrochloride_Nifedipine_Adalat cc_Valni xl_Slofedipine xl 30_Nifedipinum_Slofedipine xl 60_Adanif xl_Nimodrel mr 20_Neozipine xl_Adalat la 30_Nifedipine slow release_Angiopine 10_Hypolar ret 10_Genalat 10 ret_Nifopress mr_Adalat la 60_Genalat 20 ret_Nimodrel xl_NSC-757242_Procardia xl_Vasad_Adipine xl_Kentipine_Angiopine 40 la_Nifedipress mr 20_Adalat ret_Adalat ic_Afeditab cr_Angiopine mr 20_Cardilate mr_Fortipine la40_Adalat la 20_Nife-wolff_Nifedotard 20 mr_Calanif_Hypolar ret 20_Angiopine mr 10_Calcilat_,,,,,,,,
CHEMBL1502,A02BC02_,0,2.88,3,2.17,2.18,9.54,3.55,383.38,6,7,1,1,26,NEUTRAL,383.38,383.0751,0,0,86.33,0.68,N,7,TRUE,TRUE,FALSE,0,FALSE,0,COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,Pantoloc control_Protonix_BY 1023_Pantocid_SK-96022_SK&F 96022_SKF-96022_Pantoloc_Pantozol_Protium_Altopan_NSC-759257_Protium i.v._SK&F-96022_Zovanta_BY-1023_Pantoprazole_,,,,,,,,
CHEMBL1503,A02BC01_,0,2.9,3,2.43,2.43,9.68,4.77,345.42,5,6,1,1,24,NEUTRAL,345.42,345.1147,0,0,77.1,0.77,N,5,TRUE,FALSE,FALSE,1,FALSE,0,COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1,Mopral_Losec_Mezzopram_H-168/68_NSC-751450_NSC-759192_Omeran_Omeprazole_Losec mups_H 168/68_Prilosec_Zanprol_Antra_,,,,,,,,
CHEMBL253582,,1,-5.4,0,-4.53,-4.53,11.84,None,342.3,11,11,8,8,23,NEUTRAL,342.3,342.1162,2,2,189.53,0.24,N,5,FALSE,FALSE,FALSE,0,FALSE,0,OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,Sucrose_S-67F_GNE-410_NSC-406942_,,,,,,,,
CHEMBL1504,,1,2.42,0,1.94,1.94,13.4,None,434.5,6,6,2,2,31,NEUTRAL,434.5,434.2105,0,0,93.06,0.69,N,2,FALSE,TRUE,TRUE,0,FALSE,0,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,Gppe ear oint_Zilretta_Adcortyl in orabase_Silderm_Aureocort_Nasacort hfa_Allernaze_Kenacourt_Nasacort allergy 24 hour_Triamcinolone acetonide_Trymex_Aristocort a_Triamcinolone acetonide in absorbase_Aristocort_Triacort_NSC-21916_Nasacort_Oracort_Triacet_Aristogel_Kenalog-40_Flutex_FX006_Kenalog-h_Adcortyl_Kenalog_Azmacort_Nasacort aq_Triderm_Trivaris_Kenacort_Audicort_Vetalog_Triatex_Kenalog-80_Gppe ear dps cap_Kenalog in orabase_Tri-adcortyl_Oralone_Remotic_Remiderm_FX-006_Pevaryl t.c._Triamcinolone Acetonide_Triesence_Kenalog-10_Nystadermal_Tri-Nasal_,,,,,,,,
CHEMBL252518,P01BE05_,1,2.19,0,2.84,2.84,12.11,None,284.35,5,5,1,1,20,NEUTRAL,284.35,284.1624,0,0,57.15,0.69,N,0,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4,Cotecxin_Artemether related compound a_Artenimol_Santecxin_Dihydroartemisinine_Artenimolum_Dihydroartemisinin, .beta.-_.beta.-dihydroartemisinin_GNF-PF-5634_Alaxin_Salaxin_Cotexin_Dihydroqinghaosu_Di-hydroqinghaosu_Dynamax_Dihydroartemisinin_,,,,,,,
CHEMBL1505,N02CC05_,2,2.2,2,-0.61,1.52,None,9.55,335.47,3,5,1,1,23,BASE,335.47,335.1667,0,0,56.41,0.88,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12,Almotriptan_NSC-760092_LAS 31416_LAS-31416_,,,,,,,,
CHEMBL1506,J01BA01_G01AA05_D10AF03_D06AX02_S01AA01_S02AA01_S03AA08_,1,6.94,1,7.79,7.8,9.07,None,561.55,6,8,2,2,37,NEUTRAL,561.55,560.242,2,2,118.77,0.06,N,21,TRUE,FALSE,FALSE,1,FALSE,0,CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1,NSC-756675_Chloromycetin palmitate_Chlorolifarina_Clorolifarina_Chloramphenicol Palmitate_Chlorambon_Chloropal_Chloramphenicol palmitate_Detreopal_Chloramphenicoli palmitas_,,,,,,,,
CHEMBL1508,N06AB10_,1,3.81,2,1.41,3.76,None,9.78,324.4,3,3,0,0,24,BASE,324.4,324.1638,0,0,36.26,0.84,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,Esitol_Cipralex_Esertia_Escitalopram_LU-26-054_,,,,,,,,
CHEMBL1509,G03AC10_,1,4.31,0,3.37,3.37,None,None,366.5,3,3,0,0,27,NEUTRAL,366.5,366.2195,0,0,43.37,0.6,N,0,TRUE,FALSE,FALSE,0,FALSE,0,C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C,NSC-760103_ZK 30595_ZK-30595_Slynd_Angeliq_Drospirenone_,,,,,,,,
CHEMBL1510,N02CC06_,1,3.82,3,2.76,3.77,None,8.37,382.53,3,4,1,1,27,NEUTRAL,382.53,382.1715,0,0,53.17,0.71,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,UK-116,044-04 [AS HYDROBROMIDE)_UK-116044_UK-116,044-04 FREE BASE_UK-116,044_Relpax_UK-116044-04 FREE BASE_Eletriptan_UK-116044-04_,,,,,
CHEMBL1511,G03CA53_G03CA03_,1,5.35,1,5.78,5.78,10.33,None,356.51,3,3,1,1,26,NEUTRAL,356.51,356.2351,1,1,46.53,0.74,N,4,TRUE,TRUE,FALSE,1,FALSE,1,CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,NSC-17590_Estradiol 17-valerate_Progynova_Oestradiol valerate_Estradiol valerate_Estradiol Valerate_Delestrogen_Progynon depot_Climaval_Femtab_.beta.-estradiol 17-valerate_Progynon-depot-10_,,,,,,,,
CHEMBL1512,R01AD04_R03BA03_,1,2.27,0,1.56,1.56,13.73,None,434.5,6,6,2,2,31,NEUTRAL,434.5,434.2105,0,0,93.06,0.69,N,2,FALSE,FALSE,TRUE,0,FALSE,0,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,Syntaris_Aerospan_Nasalide_Flunisolide hemihydrate_Flunisolide_Aerobid_RS-3999_NSC-757871_Aerospan hfa_Nasarel_Flunisolide anhydrous_Syntaris hayfever_,,,,,,,,
CHEMBL251634,D07AC05_H02AB03_C05AA08_D07XC05_,1,2.64,0,1.97,1.97,13.84,None,376.47,4,4,2,2,27,NEUTRAL,376.47,376.205,0,0,74.6,0.78,N,2,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,Ficoid 2-plus_Ultralanum_Ultraproct_Fluocortolone_Ficoid 2_SH-742_SH 742_Ultradil_,,,,,,,,
CHEMBL1513,C09CA04_,2,4.78,3,4.23,5.39,5.85,4.12,428.54,5,7,1,1,32,ACID,428.54,428.2325,0,0,87.13,0.59,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,Sabervel_Irbesartan teva_NSC-758696_Aprovel_Karvea_Sarbevel_Avapro_Ifirmasta_Irbesartan bms_SR 47436_BMS-186295_Irbesartan_SR-47436_Irbesartan zentiva_,,,,,,,,
CHEMBL1514,N07BC03_,1,4.65,2,2.45,4.88,None,9.87,353.51,3,3,0,0,26,BASE,353.51,353.2355,0,0,29.54,0.65,N,8,TRUE,FALSE,FALSE,1,TRUE,0,CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1,Levoacetyl methadol_Levo-alphacetylmethadol_Levacetylmethadol_Levomethadyl acetate_LAA-M_LAAM_,,,,,,,,
CHEMBL249837,J01AA05_,1,-0.44,1,-3.81,-3.51,2.88,7.41,442.42,9,10,6,7,32,ACID,442.42,442.1376,1,1,181.62,0.33,N,2,TRUE,FALSE,FALSE,0,FALSE,0,C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12,Motc_Methacycline_GS-2876_Metacycline_,,,,,,,,
CHEMBL1515,H03BB52_H03BB02_,2,1.08,1,0.75,0.75,10.41,None,114.17,2,2,1,1,7,NEUTRAL,114.17,114.0252,0,0,20.72,0.5,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,Cn1cc[nH]c1=S,Favistan_Tapazole_NSC-38608_Mercaptizole_Methimazole_Thiamazole_,,,,,,,,
CHEMBL1517,J01AA06_D06AA03_S01AA04_G01AA07_J01AA56_,1,-1.24,1,-4.82,-4.5,2.84,7.38,460.44,10,11,7,8,33,ACID,460.44,460.1482,2,1,201.85,0.26,N,2,TRUE,TRUE,TRUE,0,FALSE,0,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12,Tetraplex_Chemocycline_Terrafungine_OXTC_NSC-757262_Oxymycin_Hi-Tet_Microtet_Oxytetracycline (anhydrous)_Oxytetracycline anhydrous_Oxytetracycline_Galenomycin_Berkmycen_Terramycine_Nitox_Oxytetracyclinum dihydras_Imperacin_Unimycin_Oxitetracycline_E703_5-hydroxytetracycline dihydrate_NSC-9169_Oxytetracycline dihydrate_Terramycin_Oxytetramix-250_Oxytetracycline dehydrate_,,,,,,,,
CHEMBL1518,H03BA02_,2,1.38,1,1.12,1.2,8.09,None,170.24,2,3,2,2,11,NEUTRAL,170.24,170.0514,0,0,48.65,0.66,Y,2,TRUE,FALSE,FALSE,0,FALSE,1,CCCc1cc(=O)[nH]c(=S)[nH]1,NSC-6498_Propylthiouracil_Thyreostat_Propacil_Prothyran_Thyreostat ii_NSC-70461_,,,,,,,,
CHEMBL600325,C01AB51_C01AB01_,1,3.01,1,2.3,2.3,12.22,0.3,530.66,8,8,4,4,38,NEUTRAL,530.66,530.288,1,1,129.59,0.44,N,3,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O,Proscillaridin a_2936_Talusin_NSC-7521_Proscillaridin_Tradenal_A-32686_,,,,,,,,
CHEMBL1519,C09AA10_,1,2.77,1,0.29,1.95,3.8,5.21,430.55,5,7,2,2,31,ACID,430.55,430.2468,0,0,95.94,0.59,N,9,TRUE,FALSE,FALSE,1,FALSE,1,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21,Trandolapril_RU-44570_RU 44570_Odrik_Mavik_Gopten_NSC-758939_Indolapril_,,,,,,,,
CHEMBL1520,G04BE09_,2,2.07,3,1.4,1.43,11.75,6.21,488.61,8,10,1,1,34,NEUTRAL,488.61,488.2206,0,0,112.9,0.52,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12,Vivanza_Levitra_BAY38-9456_BAY-389456_Vardenafil_,,,,,,,,
CHEMBL1521,N05CF03_,2,2.64,3,1.53,1.53,None,0.28,305.34,5,6,0,0,23,NEUTRAL,305.34,305.1277,0,0,74.29,0.75,N,3,TRUE,FALSE,FALSE,0,FALSE,1,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,L846_SKP-1041_LJC 10846_LJC-10846_CL-284846_Zaleplon civ_Zaleplon_CL 284,846_ZAL-846_Sonata_L-846_Zerene_,,,,,,,
CHEMBL1522,N05CF04_,1,1.57,2,0.59,0.52,8.04,6.86,388.82,7,9,0,0,27,NEUTRAL,388.82,388.1051,0,0,91.76,0.77,N,2,TRUE,FALSE,FALSE,0,FALSE,1,CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,Eszopiclone_Lunesta_Eszopiclon_GSK-1755165_(S)-Zopiclone_(S)-ZOPICLONE_Eszopiclone civ_Zopiclone s-form_Estorra_,,,,,,,,
CHEMBL248702,A08AA04_,1,3.25,1,0.79,3.47,None,10.22,231.26,1,1,1,1,16,BASE,231.26,231.1235,0,0,12.03,0.84,N,4,FALSE,FALSE,FALSE,0,TRUE,0,CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1,Isolipan_D-fenfluramine_S 5614_Dexfenfluramine_J13.711A_Fenfluramine d-form_,,,,,,,,
CHEMBL249856,C01CE03_,2,1.96,2,1.84,1.84,9.68,None,248.31,3,4,2,2,17,NEUTRAL,248.31,248.0619,0,0,65.72,0.64,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1,Perfan_MDL 17,043_Enoximone_MDL-17043_,,,,,,,
CHEMBL1525,P03AC04_P03AC54_,0,6.11,2,5.7,5.7,None,None,391.29,3,3,0,0,26,NEUTRAL,391.29,390.0789,1,1,35.53,0.56,N,6,FALSE,FALSE,TRUE,0,FALSE,0,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,NSC-760105_Permethrin_Lythrin_Lyclear_Activyl tick plus_Elimite_,,,,,,,,
CHEMBL254328,L02BX03_,1,5.4,1,3.96,3.97,None,4.81,349.52,2,2,1,1,26,NEUTRAL,349.52,349.2406,1,1,33.12,0.69,N,1,FALSE,FALSE,FALSE,0,FALSE,0,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1,CB-7598_Abiraterone_NSC-741232_Zytiga_CB 7598_,,,,,,,,
CHEMBL254316,J05AJ01_,2,0.91,3,-0.92,-0.39,7.02,None,444.42,9,11,3,3,32,NEUTRAL,444.42,444.1557,1,0,152.24,0.51,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1,Isentress_Raltegravir_MK-0518_,,,,,,,,
CHEMBL253969,,2,3.86,2,1.93,2.5,7.83,9.83,532.41,6,8,3,4,32,BASE,532.41,531.0751,1,1,109.58,0.4,N,10,FALSE,FALSE,FALSE,0,FALSE,0,NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,OSI-632_PAN-90806_Cp-547,632_Osi-632_PAN90806_CP-547632_Cp-547632_PAN 90806_CP-547,632_CP-632_,,,,,,
CHEMBL404108,M01AH06_,2,4.16,2,1.22,4.31,4.11,None,293.73,2,3,2,2,20,ACID,293.73,293.0619,0,0,49.33,0.89,N,4,FALSE,FALSE,FALSE,0,TRUE,0,Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,Prexige_COX-189_Lumiracoxib_,,,,,,,,
CHEMBL256087,,0,2.44,0,2.66,2.66,None,None,156.27,1,1,1,1,11,NEUTRAL,156.27,156.1514,0,0,20.23,0.62,Y,1,FALSE,FALSE,TRUE,0,FALSE,0,CC1CCC(C(C)C)C(O)C1,Therapeutic mineral ice_Aquasoothe_Dermacool_Muirs_Fisherman's friend lozenges_Karvol_Menthol_Vocalzone_Meggezones_Dl-menthol_Menthol racemate_Lockets_Racementhol_Tixylix decongestant inh_Arjun_FEMA NO. 2665_NSC-2603_Halls_Aqua-cool_Catarrh_,,,,,,,,
CHEMBL1529,,2,4.19,2,2.39,4.22,13.4,9.23,345.91,2,2,1,1,23,BASE,309.45,309.2093,0,0,23.47,0.86,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,Diphenidol hydrochloride_SK&F 478-A_SK-478-A_Vontrol_Cephadol_Diphenidol hcl_NSC-23012_,,,,,,,,
CHEMBL256997,M09AX03_,2,3.24,3,0.68,3.92,3.9,None,284.25,4,5,1,1,21,ACID,284.25,284.0597,0,0,76.22,0.8,N,3,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1,PTC124_Translarna_PTC-124_Ataluren_,,,,,,,,
CHEMBL255863,L01EA03_,2,6.36,5,5.35,5.36,12.38,5.92,529.53,7,8,2,2,39,NEUTRAL,529.53,529.1838,2,2,97.62,0.27,N,6,TRUE,FALSE,FALSE,0,FALSE,1,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,AMN 107_NSC-747599_AMN-107_Nilotinib_AMN107_Tasigna_,,,,,,,,
CHEMBL403664,L01DC01_,1,None,None,None,None,None,None,1415.58,None,None,None,None,None,NA,1415.58,1414.5184,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,1,Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1,Bleomycin hexal_NSC-125066_Bleomycins_Bleomycin_Bleo-kyowa_Bleomycin hydrochloride_Blenamax_Bleocin_,,,,,,,,
CHEMBL257978,,2,1.4,1,-1.27,-0.06,9.65,9.03,317.8,5,6,2,2,20,BASE,317.8,317.0601,0,0,79.79,0.86,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O,Ro 115-1240_Dabuzalgron_Ro-115-1240_,,,,,,,,
CHEMBL429317,,2,5.38,3,4.1,4.1,13.34,0.57,388.25,4,5,2,2,26,NEUTRAL,388.25,387.0541,1,1,67.16,0.58,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(/C(=C/Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)on1,UCI-4083_XY-4083_Anvylic-3288_CCMI_Avl-3288_,,,,,,,,
CHEMBL259209,N06AX17_,0,1.77,1,-0.91,1.42,None,9.83,246.35,2,3,1,2,18,BASE,246.35,246.1732,0,0,46.33,0.86,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CCN(CC)C(=O)C1(c2ccccc2)CC1CN,Milnacipran_Impulsor_Midalcipran_,,,,,,,,
CHEMBL259084,,2,5.87,4,3.46,6.07,4.59,2.73,476.87,5,6,2,2,34,ACID,476.87,476.0852,1,1,87.47,0.38,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,MLN 8054_MLN-8054_Mln-8054_Mln8054_,,,,,,,,
CHEMBL1531,G03AC08_,1,4.05,0,3.6,3.6,None,None,324.46,2,2,1,1,24,NEUTRAL,324.46,324.2089,0,0,37.3,0.58,N,1,FALSE,TRUE,TRUE,0,FALSE,0,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC,ORG-3236_Nexplanon_Etonogestrel_Implanon_ORG 3236_,,,,,,,,
CHEMBL1532,C03BA02_,0,0.88,1,1.18,1.19,9.56,None,289.74,4,6,3,4,18,NEUTRAL,289.74,289.0288,0,0,101.29,0.75,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,Chinethazone_Hydromox_Quinethazone_NSC-759904_,,,,,,,,
CHEMBL408403,C01CX09_,1,None,None,None,None,None,None,1046.2,None,None,None,None,None,NA,1046.2,1045.5345,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,LJPC-501_Delivert_Angiotensin ii (human type)_Asp-arg-val-tyr-ile-his-pro-phe_Angiotensin ii_5-l-isoleucineangiotensin ii_Angiotensin ii human_,,,,,,,,
CHEMBL1533,G03AC09_,1,4.87,0,4.42,4.42,None,None,310.48,1,1,1,1,23,NEUTRAL,310.48,310.2297,0,0,20.23,0.54,N,1,TRUE,FALSE,FALSE,1,FALSE,0,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC,Aizea_Feanolla_Desogestrel_Cerelle_Nacrez_Zelleta_Mircette_ORG-2969_Desomono_Cerazette_ORG 2969_,,,,,,,,
CHEMBL258918,G03BB01_,1,4.21,0,3.7,3.7,None,None,304.47,2,2,1,1,22,NEUTRAL,304.47,304.2402,0,0,37.3,0.73,N,0,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C,Androviron_Testiwop_Proviron_Pro-viron_Mesterolone_SH 723_SH-723_NSC-75054_,,,,,,,,
CHEMBL1535,P01BA02_,0,3.78,2,0.33,2.89,None,9.76,335.88,4,4,2,2,23,BASE,335.88,335.1764,0,0,48.39,0.73,N,9,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,Hydroxychloroquine_Polirreumin_,,,,,,,,
CHEMBL260933,,2,3.25,4,2.93,3.52,6.64,1.31,446.43,7,8,1,1,32,NEUTRAL,446.43,446.1678,0,0,90.5,0.49,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O,GS-6201_Gs 6201_CVT-6883_,,,,,,,,
CHEMBL1536,A11CC01_,1,7.64,0,7.05,7.05,None,None,396.66,1,1,1,1,29,NEUTRAL,396.66,396.3392,1,1,20.23,0.47,N,5,TRUE,TRUE,FALSE,0,FALSE,0,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C,Ostelin_Ergorone_NSC-62792_Osto-d2_Calciferol_Lanes_Deltalin_Sterogyl-15_Calciferol in arach oil_Uvesterol d_D-forte_Viosterol_Drisdol_Vitamin D 2_Sterogyl 15h_Ergoral d2_Ergocalciferol_Oleovitamin D_Vitamin d (ergocalciferol)_Ergocalciferolum_Vitamin d2_Oleovitamin d, synthetic_Viosterol in oil_Vitamin d_Ergo-d2_Sterogyl_Eciferol d2_Caltrate_,,,,,,,
CHEMBL261772,,-1,None,None,None,None,None,None,695.06,None,None,None,None,None,NA,695.06,694.0872,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.O=C(O)c1cc(S(=O)(=O)O)ccc1O,Meclocycline sulfosalicylate_Quoderm_Meclan_Meclocil_SNX-1012_Meclosorb_Meclocyline sulfosalicylate_Meclocycline 5-sulfosalicylate_Traumatociclina_NSC-757831_Mecloderm_,,,,,,,,
CHEMBL412262,,1,4.76,3,5.16,5.16,13.56,1.6,487.41,3,6,1,1,32,NEUTRAL,487.41,486.0684,0,0,74.13,0.43,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,SLV-319_Slv319_Ibipinabant_BMS-646256_,,,,,,,,
CHEMBL406381,,2,4.62,3,3.82,3.82,12.39,2.91,416.87,6,8,2,2,29,NEUTRAL,416.87,416.1251,0,0,94.6,0.58,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl,Krn-633_KRN633_KRN-633_K00589A_,,,,,,,,
CHEMBL258805,,2,1.91,2,0.86,0.91,11.59,6.64,241.25,3,5,2,2,18,NEUTRAL,241.25,241.0851,0,0,67.01,0.79,N,2,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2,Su9516_SU-9516_Su-9516_,,,,,,,,
CHEMBL258940,,2,3.46,3,1.76,2.85,13.6,8.45,387.85,7,7,2,2,27,NEUTRAL,387.85,387.1374,0,0,78.86,0.71,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1,Falnidamol_Bibx 1382_BIBX 1382_Bibx-1382_BIBX-1382_Bibx1382_,,,,,,,,
CHEMBL1537,J01CA09_,1,0.09,1,-3.7,-0.33,3.49,None,461.5,6,11,4,4,32,ACID,461.5,461.1369,1,0,148.15,0.45,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,NSC-758227_Azlin_J01CA09_Azlocillin_,,,,,,,,
CHEMBL1538,J05AF07_,1,3.04,2,2.65,2.65,None,3.74,519.45,15,15,1,2,35,NEUTRAL,519.45,519.173,2,2,185.44,0.23,N,13,TRUE,FALSE,FALSE,1,FALSE,1,CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C,Viread_Tenofovir bis(isopropyloxycarbonyloxymethyl) ester_(r)-bis(poc)pmpa_Tenofovir disoproxil_GS-4331_Bis-poc-pmpa_,,,,,,,,
CHEMBL1539,,2,0.88,2,-0.22,0.58,6.12,3.44,310.34,7,8,2,3,21,ACID,310.34,310.0736,0,0,116.43,0.79,N,5,TRUE,FALSE,FALSE,0,FALSE,0,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,Sulphormethoxine_Sulfadoxinum_Fanasulf_Sulfadoxin_Fanzil_Sulphadoxine_Sulforthamidine_NSC-759319_RO-4-4393_RO-44393_WR-4073_J21.373J_Fanasil_Sulfadoxine_RO 4-4393_,,,,,,,,
CHEMBL1540,J05AB13_D06BB06_,2,-0.9,2,-1.08,-1.08,11.59,0.94,253.26,8,8,4,5,18,NEUTRAL,253.26,253.1175,0,0,130.31,0.54,N,5,FALSE,FALSE,TRUE,1,FALSE,0,Nc1nc(O)c2ncn(CCC(CO)CO)c2n1,Fenistil_Denavir_Penciclovir_BRL-39123_Vectavir_NSC-759624_,,,,,,,,
CHEMBL1541,J01DD08_,1,-0.54,1,-7.13,-1.28,2.62,3.95,453.46,10,12,4,5,30,ACID,453.46,453.0413,1,0,184.51,0.23,N,8,TRUE,FALSE,FALSE,0,FALSE,0,C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)[C@H]2SC1,Cefixime trihydrate_Suprax_Oroken_FR 17027_Cefixime hydrate_CL 284,635_Cefspan_CL-284635_Cefixime_FK 027_FK-027_FR-17027_Citropen_Cephoral_Cefixime anhydrous_Anhydrous cefixime_,,,,,,,
CHEMBL1542,L04AX01_,2,1.15,3,1.15,1.17,8.62,2.16,277.27,8,9,1,1,19,NEUTRAL,277.27,277.0382,0,0,115.42,0.43,N,3,TRUE,TRUE,FALSE,1,FALSE,1,Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12,Oprisine 50_Immunoprin 50_Azapress_Imuran_Azasan_BW-57-322_Azathioprinum_Kentaprine_Azathioprine_Azamune_NSC-39084_Berkaprine_,,,,,,,,
CHEMBL260538,,1,5.54,1,4.62,4.62,None,4.89,475.63,5,5,0,0,35,NEUTRAL,475.63,475.2723,1,1,63.68,0.53,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CDB-2914_VA2914_Ulipristal acet_Esmya_PGL-4001_Ulipristal acetate_Ulipristal acetate _Ella_RTI-3021-012_VA-2914_Ellaone_,,,,,,,,
CHEMBL267431,,1,5.43,1,3.97,4.28,7.39,2.56,449.59,5,5,1,1,33,NEUTRAL,449.59,449.2566,1,1,68.12,0.37,N,5,FALSE,FALSE,FALSE,0,FALSE,0,COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(/C=N/O)cc3)C[C@@]21C,Asoprisnil_J-867_BAY86-5294_J867_,,,,,,,,
CHEMBL405130,,2,3.1,3,2.84,2.84,10.35,4.75,297.31,6,6,2,2,22,NEUTRAL,297.31,297.1113,0,0,76.5,0.72,N,4,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC,Whi-p131_Janex 1_WHI-P131_JANEX-1_,,,,,,,,
CHEMBL1544,,1,3.95,2,2.76,2.8,0.3,9.48,650.98,4,5,3,4,23,ZWITTERION,650.98,650.7901,1,1,92.78,0.43,N,5,TRUE,TRUE,FALSE,0,FALSE,1,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,Thyrolar-0.5_Thyrolar-2_Euthroid-2_Levothyroxine sodium related compound liothyronine_Euthroid-3_Thyrolar-5_Thyrolar-0.25_Euthroid-1_Thyrolar-3_Liothyronine_Euthroid-0.5_NSC-80203_Cytomel_Cyronine_Rathyronine_Thyrolar-1_Triostat_Triiodothyronine (T3 Or Liothyronine, Active) (6-11%)_Rathyronine, (s)-_3,5,3'-triiodothyronine, l-_Tertroxin_,,,
CHEMBL262075,,2,3.67,4,2.69,2.69,None,0.44,376.44,6,6,0,0,27,NEUTRAL,376.44,376.0994,0,0,67.57,0.51,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1,CL-285489_Calenthys_Indiplon_NBI-34060_,,,,,,,,
CHEMBL261244,,1,1.8,3,-1.66,0.65,1.18,2.23,576.41,10,14,4,4,37,ACID,532.45,532.1471,2,1,179.18,0.31,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21.[Na+].[Na+],Regrelor disodium_INS50589_INS-50589_,,,,,,,,
CHEMBL409153,J02AC05_,1,4.24,4,4.14,4.14,12.59,2.32,437.48,7,6,1,1,31,NEUTRAL,437.48,437.1122,0,0,87.62,0.49,N,6,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F,Isavuconazole_BAL-4815_Cresemba_,,,,,,,,
CHEMBL408513,L01XH04_,2,2.01,2,1.69,1.81,7.82,None,318.35,4,6,3,3,22,NEUTRAL,318.35,318.0674,0,0,95.5,0.45,N,5,FALSE,TRUE,FALSE,0,FALSE,0,O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO,Beleodaq_Belinostat_PXD-101_PX-105684_PXD101_NSC726630_,,,,,,,,
CHEMBL270190,A06AH02_,1,3.05,2,0.82,0.82,3.71,10.66,424.54,4,6,3,3,31,ZWITTERION,424.54,424.2362,0,0,89.87,0.61,N,8,TRUE,FALSE,FALSE,0,FALSE,1,C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1,ADL 8-2698_LY-246736_Alvimopan anhydrous_Alvimopan_LY-246736 DIHYDRATE_Anhydrous alvimopan_ADL-8-2698_Alvimopan dihydrate_Entereg_LY246736_,,,,,,,,
CHEMBL1546,,0,1.28,1,-0.97,1,10.48,9.8,151.21,2,2,2,3,11,BASE,151.21,151.0997,0,0,46.25,0.67,Y,2,FALSE,FALSE,TRUE,0,FALSE,0,CC(N)Cc1ccc(O)cc1,NSC-170995_Dl-4-hydroxyamphetamine_Pulsoton_Hydroxyamphetamine_P-hydroxyamphetamine_Norveritol_Phenol, p-(2-aminopropyl)-_Hydroxyamfetamine_Racemic p-hydroxyamphetamine_Dl-p-hydroxyamphetamine_,,,,,,,
CHEMBL572878,,2,3.5,3,4.37,4.62,12.79,7.28,464.6,8,9,3,3,33,NEUTRAL,464.6,464.2107,0,0,102.07,0.46,N,7,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1,MK-045_Tozasertib_VX-68_MK-0457_VX-680_,,,,,,,,
CHEMBL402548,,1,2.64,3,1.67,2.06,9.63,7.73,474.57,6,9,2,2,35,NEUTRAL,474.57,474.2379,0,0,93.8,0.57,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,PHA-739358_Danusertib_Pha-739358_,,,,,,,,
CHEMBL271220,,1,5.09,3,4.51,4.51,None,1.56,535.56,5,6,0,0,37,NEUTRAL,535.56,535.1553,2,2,64.43,0.41,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CORT-108297_Cort 108297_ADS-108297_,,,,,,,,
CHEMBL271227,L02BX03_,1,5.97,1,4.41,4.41,None,4.81,391.56,3,3,0,0,29,NEUTRAL,391.56,391.2511,1,1,39.19,0.46,N,2,TRUE,FALSE,FALSE,1,FALSE,0,CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1,CB7630_NSC-749227_Abiraterone acetate_NSC-748121_CB-7630_Yonsa_Zytiga_,,,,,,,,
CHEMBL429736,,1,2.04,2,1.84,1.84,10.88,0.44,494.59,6,9,1,1,36,NEUTRAL,494.59,494.2529,0,0,104.98,0.66,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1,GSK-221149_GSK-221149A_GSK221149_Retosiban_GSK221149A_,,,,,,,,
CHEMBL404520,D06AA02_J01AA03_S01AA02_A01AB21_,1,0.44,1,-3.33,-2.89,2.64,8.55,478.89,9,10,6,7,33,ZWITTERION,478.89,478.1143,1,1,181.62,0.33,N,2,FALSE,FALSE,TRUE,0,FALSE,0,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12,Chlortetracycline_E702_Chlorotetracycline_,,,,,,,,
CHEMBL1549,D07AA02_D07XA01_S01BA02_H02AB09_S02BA01_S01CB03_A07EA02_C05AA01_A01AC03_,1,4.3,0,4.02,4.02,12.61,None,486.65,6,6,2,2,35,NEUTRAL,486.65,486.2981,0,0,100.9,0.54,N,6,TRUE,FALSE,FALSE,1,FALSE,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1,Hydrocortisone Cypionate_NSC-10721_Hydrocortisone cypionate_Hydrocortisone cyclopentylpropionate_Cortef_Hydrocortisone cipionate_,,,,,,,,
CHEMBL270995,,1,3.42,4,3.23,3.5,None,7.34,441.46,8,9,2,3,32,NEUTRAL,441.46,441.1812,0,0,116.76,0.42,N,7,FALSE,FALSE,FALSE,1,FALSE,0,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1,BMS-582664_Brivanib l-alanine ester_BMS-582664-02_Brivanib alaninate_,,,,,,,,
CHEMBL411907,,1,3.13,0,2.48,2.51,8.49,None,525.6,9,9,1,1,38,NEUTRAL,525.6,525.2363,1,1,119.44,0.29,N,8,FALSE,FALSE,FALSE,0,FALSE,0,C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C,Sonolisib_PX-866_Px-866_,,,,,,,,
CHEMBL429910,A10BK01_,1,1.84,2,2.11,2.11,12.57,None,408.88,6,6,4,4,28,NEUTRAL,408.88,408.134,0,0,99.38,0.58,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,Forxiga_BMS-512148_LYN-045_BMS-512148-05_Dapagliflozin_,,,,,,,,
CHEMBL272621,,1,4.48,0,1.15,3.71,4.79,None,392.58,3,4,3,3,28,ACID,392.58,392.2927,0,0,77.76,0.66,N,4,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,HDCA_Hyodeoxycholic acid_Hyodesoxycholic acid_AHRO-001_Hyodeoxycholic_acid_NSC-60672_.alpha.-hyodeoxycholic acid_,,,,,,,,
CHEMBL1551,A05AA02_,1,4.48,0,0.98,3.71,4.6,None,392.58,3,4,3,3,28,ACID,392.58,392.2927,0,0,77.76,0.66,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,Destolit_Urso forte_Ursodeoxycholic acid_Urso_NSC-683769_Cholurso_Ursodeoxycholate_Urdox_Urso 250_Ursodesoxycholic acid_Ursofalk_Ursonorm_Actigall_Ursodiol_Ursogal_,,,,,,,,
CHEMBL406393,D11AX24_,1,4.48,0,1.11,3.79,4.65,None,392.58,3,4,3,3,28,ACID,392.58,392.2927,0,0,77.76,0.66,N,4,FALSE,TRUE,FALSE,0,FALSE,0,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,ATX-101_DWJ-211_Desoxycholic acid_NSC-8797_Deoxycholate_Deoxycholic acid_Kybella_ATX-101 (DEOXYCHOLIC ACID)_DWJ211_,,,,,,,,
CHEMBL403989,,2,7.09,5,6.01,7.64,13.33,9.03,580.09,8,8,1,1,42,BASE,580.09,579.2037,2,2,89.47,0.15,N,9,FALSE,FALSE,FALSE,1,FALSE,0,Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,TG100-801_Tg100-801_,,,,,,,,
CHEMBL405821,,2,3.78,3,4.46,4.46,None,None,323.34,1,2,1,2,24,NEUTRAL,323.34,323.1122,0,0,43.09,0.73,N,4,FALSE,FALSE,FALSE,0,FALSE,0,NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1,Senicapoc_PF-05416266_ICA-17043_,,,,,,,,
CHEMBL1554,L01DA01_,1,None,None,None,None,None,None,1255.44,None,None,None,None,None,NA,1255.44,1254.6285,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O,Actinomycin iv_GNF-PF-2290_NSC-3053_Actinomycin d_Actinomycin i1_Dilactone actinomycin d acid_Actinomycin-d_Actinomycin x1_Dactinomycinum_Actinomycin c1_Cosmegen_Dactinomycin_NCI-C04682_Cosmegen lyovac_Oncostatin k_Meractinomycin_GNF-Pf-1977_,,,,,,,,
CHEMBL1555,,1,1.85,1,-0.04,1.16,None,8.58,368.27,4,4,1,1,21,BASE,287.36,287.1521,0,0,41.93,0.8,N,1,TRUE,FALSE,FALSE,0,FALSE,0,Br.COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2,Jilkon hydrobromide_Nivalin_Razadyne er_Tamilin_Lycoremine hydrobromide_Nivaline_Galanthamine hydrobromide_Galantamine hydrobromide_Razadyne_(-)-galantamine hydrobromide_,,,,,,,,
CHEMBL1557,,2,0.6,1,-1.45,0.03,10.01,9.27,189.64,3,3,3,4,11,BASE,153.18,153.079,0,0,66.48,0.54,N,2,FALSE,TRUE,FALSE,0,FALSE,0,Cl.NCCc1ccc(O)c(O)c1,Dopamini hydrochloridum_Dopamin-Natterman_Inotropin_Dopamine hcl_NSC-169105_ASL-279_Dynatra_Dopamine hydrochloride_Dopmin_Tensamin_Selectajet_Intropin_Sabax Dopamin_Cardiosteril_,,,,,,,,
CHEMBL1558,,2,1.78,3,1.43,1.65,None,7.24,419.87,8,9,1,2,28,NEUTRAL,383.41,383.1594,0,0,106.95,0.73,N,4,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl,Alphavase 2_Alphavase 1_CP-12299-1_Prazosin hcl_Prazosin hydrochloride_Hypovase_NSC-292810_Minipress xl_Hypovase b.d._CP-12,299-1_Alphavase 0.5_Kentovace_Minipress_Alphavase 5_,,,,,,,
CHEMBL1559,,0,6.45,3,5.92,5.96,None,6.48,479.15,3,3,0,0,25,NEUTRAL,416.14,413.986,1,1,27.05,0.46,N,6,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,M-zole 7 dual pack_Monistat-3 Combination Pack_Miconazole 7_Monistat 7_Monistat 1 combination pack_M-zole 3 combination pack_Acorvio_Monistat 3_Monistat_Miconazole nitrate combination pack_NSC-169434_Monistat 7 combination pack_Baza cream_Miconazole 3 combination pack_Dermonistat_Monistat 5_Miconazole nitrate_Miconazole 7 combination pack_Priconazole_R-14889_Monistat 3 combination pack_Baza cream antifungal_Femeron_Monistat 3 combination pack (prefilled)_Miconazole 3_Miconazoli nitras_R 14,889_Gyno-daktarin_Monistat-derm_Daktarin aktiv_,,,,,,,
CHEMBL450895,A07AA02_D01AA01_G01AA01_G01AA51_,1,0.94,0,-1.94,-1.94,3.72,9.11,926.11,17,18,12,13,65,ZWITTERION,926.11,925.5035,3,3,319.61,0.18,N,3,TRUE,FALSE,TRUE,0,FALSE,0,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2,Nysert_L-nystatin_Candex_NSC-150817_Nystex_Nystaform_Mykinac_Infestat_Nystavescent_Nyspes_Korostatin_Multilind_Myco 20_Nystatinum_Nystan triple pack_Nystatin_Terrastatin_Mikostatin_Barstatin 100_Tinaderm m_Nystop_Nilstat_Mycostatin_,,,,,,,,
CHEMBL1560,C09AA01_,1,0.63,0,-2.42,0.73,4.02,None,217.29,3,4,2,1,14,ACID,217.29,217.0773,0,0,57.61,0.68,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,Lopril_Tensiomin_Ecopace_Hyteneze 25_SQ-14225_Farcopril_Noyada_SQ -14225_Captoprilum_NSC-757419_SA-333_Zapto_Acepril_Captomex_Hyteneze 12.5_Kaplon_Mepha_Garranil_Apopril_Capoten_Hyteneze 50_Tensobon_Hypopress_C09AA01_Captomax_Captopril_SQ 14,225_,,,,,,,
CHEMBL504760,C01EB02_,1,2.4,0,2.55,2.55,None,None,152.24,1,1,0,0,11,NEUTRAL,152.24,152.1201,0,0,17.07,0.52,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2,Camphor laurel_Karpura whole_Camphor, d-_Laurus camphora_Camphor laurel whole_Synthetic camphor_Trans-pi-oxocamphor_Dl-camphor_NSC-755918_Gum camphor_Camphor (synthetic)_Cinnamomum camphora whole_Camphorwood_FEMA NO. 2230_Camphora officinalis whole_FEMA NO. 4513_Dextrocamphor_Camphor_Camphora tree_Natural camphor_Camphortree whole_Camphor whole_Camphor tree whole_Camphora_Camphora camphora_D-camphor_Cinnamomum camphora_Camphor d-form_Cinnamonum camphora_Camphor (natural)_Camphor, racemic_Camphor, dl-_,,,,,
CHEMBL517712,A03BA01_S01FA01_,0,1.93,1,-0.41,1.57,None,9.39,289.37,4,4,1,1,21,BASE,289.37,289.1678,0,0,49.77,0.86,N,4,TRUE,TRUE,TRUE,0,FALSE,0,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,Atrophate_Dl-hyoscyamine_Isopto Atropine_Atropen_Atropine_Atropinum_Atropine (autoinjector)_Atroject_,,,,,,,,
CHEMBL1561,A10BF02_,1,-3.26,0,-3.6,-3.19,12.9,7.6,207.23,6,6,5,5,14,NEUTRAL,207.23,207.1107,0,0,104.39,0.33,N,3,TRUE,FALSE,FALSE,0,FALSE,0,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,BAY-M-1099_NSC-758702_Miglitol_Diastabol_Glyset_BAY M 1099_,,,,,,,,
CHEMBL502109,,2,6.57,1,3.08,3.08,None,None,354.02,0,1,0,0,23,NEUTRAL,318.57,318.3155,1,1,0,0.27,N,14,FALSE,FALSE,FALSE,0,FALSE,1,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-],NSC-758480_Zephiran_Zephiran chloride_Pentonium_Benzalkonium chloride_Capitol_Drapolene_Dermax therapeutic_Benzalkonii chloridum_Hyamine 3500_Roccal_Alpagelle_,,,,,,,,
CHEMBL1563,,1,1.03,2,0.91,1.34,8,9.09,563.99,11,11,5,6,38,BASE,527.53,527.1791,3,2,185.84,0.31,N,4,FALSE,TRUE,FALSE,0,FALSE,1,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl,Daunoxome_NDC 0082-4155_RP 13057 [AS THE BASE)_FI-6339 HYDROCHLORIDE_Daunorubicin hcl_FI 6339 [AS THE BASE]_Daunorubicin hydrochloride_FI 6339 HYDROCHLORIDE_RP-13057 HYDROCHLORIDE_NSC-82151_FI-6339_Cerubidine_RP 13057 HYDROCHLORIDE_Daunorubicin (as hydrochloride)_RP-13057_NDC-0082-4155_,,,,,,,,
CHEMBL511142,N07BC01_N07BC51_N02AE01_,1,4.41,1,1.61,3.55,10.42,9.63,467.65,5,5,2,2,34,BASE,467.65,467.3036,0,0,62.16,0.69,N,4,FALSE,TRUE,TRUE,0,FALSE,1,CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,Buplast_ALKS-5461 COMPONENT BUPRENORPHINE_Buprenorphin_Butrans_Hapoctasin_Sublocade_Prenotrix_Reletrans_Butec_Suboxone_Temgesic_Brixadi_Buprenorphine_Sevodyne_Tephine_Bupeaze_Transtec_Panitaz_,,,,,,,,
CHEMBL1564,,2,3.89,2,2.18,3.66,None,8.87,317.86,2,2,0,0,21,BASE,281.4,281.178,0,0,12.47,0.84,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl,Diphenylpyraline hcl_Hispril_Diphenylpyraline HCl_Diphenylpyraline teoclate_Lergoban_Histryl paed_Histryl_NSC-61825_Diphenylpyraline hydrochloride_,,,,,,,,
CHEMBL529437,,1,1.87,1,0.82,2.28,None,8.85,339.82,5,5,0,0,22,BASE,303.36,303.1471,0,0,55.84,0.8,N,3,FALSE,FALSE,TRUE,0,FALSE,1,COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C.Cl,RX-0041-002_Cocaine muriate_Numbrino_Goprelto_NSC-25263_Cocaine hydrochloride_Cocainum muriaticum_NIH 8211_MCV 4526_Cocaine hcl_Cocaine hydrochloride cii_,,,,,,,,
CHEMBL471737,C01EB17_,1,3.31,2,0.76,2.72,None,9.37,468.59,6,7,0,0,34,BASE,468.59,468.2624,0,0,60.47,0.53,N,10,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,S-16257_Procoralan_Corlanor_Ivabradine_,,,,,,,,
CHEMBL1566,A10BF01_,1,-8.56,0,-7.77,-7.61,11.23,7.03,645.61,19,19,14,14,44,NEUTRAL,645.61,645.248,3,3,321.17,0.1,N,9,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,Acarbose_BAY G 5421_Precose_BAY-G-5421_Glucobay_NSC-758915_,,,,,,,,
CHEMBL1567,,2,3.33,2,1.28,2.93,11.46,9.04,532.57,3,6,3,3,29,BASE,398.48,398.2118,0,0,77.23,0.63,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.O=C(O)C[C@H](O)C(=O)O,SU-011248 L-MALATE SALT_SU011248 L-MALATE SALT_SU-010398_SU010398_Sutent_Sunitinib l-malate_Sunitinib malate_PHA-290940AD_,,,,,,,,
CHEMBL506110,J01CR04_,1,-0.59,1,-0.63,-0.4,11.71,7.23,594.67,11,13,2,3,40,NEUTRAL,594.67,594.1454,2,2,182.48,0.23,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C,Unasyn_Bacimex_CP-49952_Sultamicillin_Sultamicillin tosilate_Sultamicillin tosylate_VD-1827_Unacid_CP-49,952_,,,,,,,
CHEMBL501849,J05AP05_,1,5.25,3,3.61,4.56,3.77,1.6,749.96,10,12,2,2,52,ACID,749.96,749.2917,3,2,156.89,0.29,N,8,TRUE,FALSE,FALSE,0,FALSE,1,COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C,TMC-435_Simeprevir_TMC-435350_TMC 435350_Olysio_TMC 435_Tmc435_TMC435350_,,,,,,,,
CHEMBL455186,L01AB02_,1,-2.34,0,-2.6,-2.6,12.99,None,278.3,8,8,2,2,16,NEUTRAL,278.3,278.013,0,0,127.2,0.5,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O,Graftrevo_Treograft_Kepcondi_NSC-39069_Trecondyv_Ovastat_Treosulfan_Threosulphan_Trecondi_Grafapex_,,,,,,,,
CHEMBL462018,,1,-1.77,2,-4.94,-3.78,1.22,9.33,400.29,11,13,5,6,27,ZWITTERION,400.29,400.0896,2,1,188.78,0.37,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CN1N=C(N)c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c3ncnc1c23,Triciribine phosphate_NSC-154020_Phosphate salt of tricyclic nucleoside_NSC-280594_Vqd-002_Triciribine_,,,,,,,,
CHEMBL461332,,1,3.88,0,3.42,3.42,13.75,None,487.4,5,5,1,1,32,NEUTRAL,487.4,486.1376,0,0,72.83,0.6,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@]2(C(=O)CO)O1,Flucloronide_Topilar_Fluclorolone acetonide_RS-2252_,,,,,,,,
CHEMBL1569,,2,1.91,0,-1.38,1.47,None,10.71,187.71,1,1,1,2,11,BASE,151.25,151.1361,0,0,26.02,0.56,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,Cl.NC12CC3CC(CC(C3)C1)C2,Mantadine_Amantadine hcl_Mantadix_Symmetrel_Amantadine hydrochloride_Lysovir_EXP-105-1_Symadine_Gocovri_Adamantanamine hydrochloride_NSC-83653_Osmolex er_Osmolex_,,,,,,,,
CHEMBL517199,C03BA10_,2,2.56,2,1.81,3,6.17,None,354.82,4,6,3,4,23,ACID,354.82,354.0441,0,0,109.49,0.79,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O,Diurexan_BE-1293_Xipamide_MJF-10938_MJF 10,938_,,,,,,,
CHEMBL529888,A10BB04_,1,2.17,1,1.54,2.48,4.32,None,366.48,4,6,3,3,25,ACID,366.48,366.1613,0,0,95.5,0.76,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@H]3CC[C@@](C)([C@H]2O)C3(C)C)cc1,RO-64563_RO 6-4563_Glibornuride_RO-6-4563_Glutril_,,,,,,,,
CHEMBL488436,,2,3.38,3,1.95,1.96,11.68,6,371.47,7,7,1,1,26,NEUTRAL,371.47,371.1416,0,0,89.77,0.74,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C,AZD-5438_Azd 5438_Azd-5438_,,,,,,,,
CHEMBL1570,,0,1.7,2,-3.26,1.27,1.7,None,404.49,6,8,4,4,25,ACID,404.49,404.017,0,0,132.8,0.49,N,8,TRUE,FALSE,FALSE,0,FALSE,0,O=S(O)CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)O)cc2)cc1,Aldesulphone_Aldesulfone_Sulfoxone_,,,,,,,,
CHEMBL452231,L01CB02_,1,2.75,3,2.78,2.78,9.33,None,656.66,14,13,3,3,46,NEUTRAL,656.66,656.1564,2,2,160.83,0.33,N,6,FALSE,TRUE,FALSE,0,FALSE,1,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,NSC-122819_Teniposide_Vumon_VM-26_VM26_,,,,,,,,
CHEMBL1571,,1,3.59,0,3.23,3.23,None,None,300.4,3,3,0,0,22,NEUTRAL,300.4,300.1725,0,0,43.37,0.64,N,0,TRUE,TRUE,FALSE,0,FALSE,0,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2,SQ-9538_Testolactone ciii_Fludestrin_SQ 9538_Teslac_Testolactone_NSC-23759_Teolit_,,,,,,,,
CHEMBL507361,,1,2.47,2,3.98,3.98,11.97,None,482.2,5,6,4,4,26,NEUTRAL,482.2,481.995,0,0,90.82,0.36,N,7,FALSE,FALSE,FALSE,0,FALSE,0,O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F,Pd 0325901_Pd 03525901_Pd-0325901_Pd 901_PD-0325901_Mirdametinib_,,,,,,,,
CHEMBL460287,L01AG01_,0,-0.15,0,-0.33,-0.33,None,None,262.3,6,6,0,0,18,NEUTRAL,262.3,262.1416,0,0,61.98,0.34,N,13,FALSE,FALSE,FALSE,0,FALSE,0,C(COCCOCC1CO1)OCCOCC1CO1,ICI-32865_NSC-80439_Ethoglucid_Etoglucid_ICI 32865_Epodyl_,,,,,,,,
CHEMBL501613,N05CM15_N05CX03_,0,0.78,0,0.93,0.93,None,None,98.14,1,1,1,1,7,NEUTRAL,98.14,98.0732,0,0,20.23,0.48,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,C#CC(C)(O)CC,Meparfynol_NSC-28797_Atemorin_Dormison_Methylpentynol_Oblivon_Methylparafynol_,,,,,,,,
CHEMBL516476,,0,2.08,1,-2.59,-2.59,None,None,366.41,3,4,1,1,22,NEUTRAL,304.41,304.1907,0,0,46.53,0.68,N,4,FALSE,FALSE,FALSE,0,FALSE,0,C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-],Ekomine_8-methylatropinium nitrate_Atropine methonitrate_NSC-759122_N-methylatropine nitrate_Eumydrin_Atropine methyl nitrate_Atropine methylnitrate_Methylatropine nitrate_,,,,,,,,
CHEMBL1572,J01GB07_S01AA23_,1,-3.2,0,-10.64,-3.53,12.55,9.8,475.59,12,12,8,11,33,BASE,475.59,475.3006,2,2,199.73,0.18,N,8,FALSE,TRUE,FALSE,0,FALSE,0,CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O,Netilmicin_Netira_NSC-759586_,,,,,,,,
CHEMBL1574,A08AA01_,2,1.97,1,-0.55,2.08,None,10.25,149.24,1,1,1,2,11,BASE,149.24,149.1204,0,0,26.02,0.68,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(N)Cc1ccccc1,Ionamin_NSC-759163_Phentermine resin 30_Duromine_Phentermine resin complex_Qsiva_Phentermine resin_Phentermine_,,,,,,,,
CHEMBL1576,,2,1.42,0,1.54,1.54,None,None,167.21,2,3,1,2,12,NEUTRAL,167.21,167.0946,0,0,52.32,0.6,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,C#CC1(OC(N)=O)CCCCC1,Valmid_Ethinamate_NSC-11538_,,,,,,,,
CHEMBL460291,C08CA09_,2,4.4,1,4.19,4.19,None,None,455.55,7,7,1,1,33,NEUTRAL,455.55,455.2308,0,0,90.93,0.37,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C,GR 43659X_3,3'-iminodipropylamine_3,3'-iminobispropylamine_NSC-7773_Motens_Dipropylenetriamine_4-azaheptamethylenediamine_Caldine_Molap_Dipropylamine,3,3'-diamino-_Lacidipine_GR-43659X_,,,,
CHEMBL1577,C03AA08_,0,0.6,1,0.52,0.53,9.29,None,360.24,5,7,2,3,20,NEUTRAL,360.24,358.9568,0,0,109.57,0.75,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,Aquatensen_NSC-110431_Enduron_Methyclothiazide_,,,,,,,,
CHEMBL447629,L01AX01_,1,-0.78,0,-0.65,-0.65,12.63,None,307.97,4,4,4,4,12,NEUTRAL,307.97,305.9102,0,0,80.92,0.5,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O[C@H](CBr)[C@@H](O)[C@H](O)[C@H](O)CBr,DBM_Dibromomannitol_Myelobromol_Myebrol_Mitobronitol_NSC-94100_,,,,,,,,
CHEMBL475534,C08CA08_,0,2.57,1,2.17,2.17,None,None,360.37,7,8,1,1,26,NEUTRAL,360.37,360.1321,0,0,107.77,0.49,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,Deiten_Bayotensin_Baypress_Nidrel_Nitrepin_Nitrendipine_NSC-758466_BAY E 5009_BAY-E-5009_,,,,,,,,
CHEMBL1578,,1,3.52,0,-0.67,-0.67,None,None,362.35,2,3,0,0,20,NA,282.45,282.2428,0,0,26.3,0.55,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-],Valpin_Octatropone bromide_Anisotropine methylbromide_Octatropine methylbromide_Methyloctatropine bromide_Valpin 50_Octotropine methylbromide_,,,,,,,,
CHEMBL1580,L01XX08_,1,-1.18,1,-2.93,-2.02,13.06,8.33,268.27,8,8,4,4,19,NEUTRAL,268.27,268.1172,0,0,112.13,0.54,N,2,FALSE,TRUE,FALSE,0,FALSE,1,OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O,Pentostatin_YK-176_PD 81565_PD-81565_Deoxycoformycin_CI-825_NSC-218321_Nipent_,,,,,,,,
CHEMBL1581,C09AA04_,1,1.94,0,-0.85,0.63,3.79,5.48,368.47,5,7,2,2,26,ACID,368.47,368.2311,0,0,95.94,0.64,N,8,TRUE,FALSE,FALSE,1,FALSE,1,CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC,Perindopril_S-9490_MCN-A-2833_,,,,,,,,
CHEMBL455917,N05CC01_,2,0.67,0,0.69,0.69,9.51,None,165.4,2,2,2,2,7,NEUTRAL,165.4,163.9199,0,0,40.46,0.41,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,OC(O)C(Cl)(Cl)Cl,Sk-chloral hydrate_Chloral hydrate_Cloral hydrate_Chlorali hydras_Chloral Hydrate_Noctec_Chloralum_NSC-3210_,,,,,,,,
CHEMBL515606,C09AA08_,1,1.6,1,-1.45,0.22,3.4,5.06,417.51,6,8,2,2,30,ACID,417.51,417.2264,0,0,99.18,0.62,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,Cilazaprilum_Anhydrous cilazapril_Cilazapril_RO-312848006_RO 31-2848/006_Initiss_Cilazapril monohydrate_Justor_Vascace_Inhibace_Cilazapril hydrate_Cilazapril anhydrous_,,,,,,,,
CHEMBL1583,J01CA06_,0,1.3,1,1.25,1.47,11.72,7.23,465.53,9,10,2,3,32,NEUTRAL,465.53,465.157,0,0,137.26,0.35,N,7,TRUE,FALSE,FALSE,1,FALSE,0,CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,Bacampicillin_Penglobe_,,,,,,,,
CHEMBL1584,,2,4.98,2,2.76,3.63,None,8.21,410.58,5,4,1,1,29,NEUTRAL,410.58,410.2028,0,0,43.78,0.65,N,7,TRUE,FALSE,FALSE,1,FALSE,0,CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2,PC-1421_NSC-760067_Piperacetazine_Quide_,,,,,,,,
CHEMBL1585,L01AX02_,2,1.23,0,0.41,0.41,None,None,356.06,2,4,0,0,16,NEUTRAL,356.06,353.9579,0,0,40.62,0.71,N,4,TRUE,FALSE,FALSE,0,FALSE,0,O=C(CCBr)N1CCN(C(=O)CCBr)CC1,NSC-25154_A-8103_Pipobroman_Vercyte_,,,,,,,,
CHEMBL1587,C03AA05_,0,1.66,1,1.1,1.1,9.31,None,439.89,6,7,2,3,25,NEUTRAL,439.89,438.9709,0,0,109.57,0.74,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,Renese_Polythiazide_Nephril_P-2525_NSC-108161_,,,,,,,,
CHEMBL487253,L01AA09_,2,3.26,2,0.81,1.8,4.36,6.41,358.27,4,5,1,1,23,ACID,358.27,357.1011,0,0,58.36,0.7,N,9,FALSE,TRUE,FALSE,0,FALSE,0,Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21,Bendamustine_,,,,,,,,
CHEMBL1589,A10BB31_,2,2.21,1,0.87,1.81,4.31,None,324.4,4,6,2,2,22,ACID,324.4,324.1144,0,0,92.34,0.83,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,NSC-759128_Dimelor_Dymelor_Acetohexamide_33006_,,,,,,,,
CHEMBL1590,R01BA52_R01BA02_,1,1.33,1,-0.78,1.32,13.89,9.52,165.24,2,2,2,2,12,BASE,165.24,165.1154,0,0,32.26,0.71,Y,3,TRUE,FALSE,FALSE,0,FALSE,0,CN[C@@H](C)[C@@H](O)c1ccccc1,Neodurasina_Pseudoephedrine polistirex_Acunaso_Isoephedrine, d-_Pseudoephedrine_,,,,,,,
CHEMBL1591,D06AA01_J01AA01_,1,0.26,1,-3.61,-3.17,2.59,8.54,464.86,9,10,6,7,32,ZWITTERION,464.86,464.0986,1,1,181.62,0.33,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12,Demethylchlortetracycline_Demeclocycline_,,,,,,,,
CHEMBL1592,C09AA06_,1,2.57,2,0.31,1.96,3.7,5.2,438.52,5,7,2,2,32,ACID,438.52,438.2155,0,0,95.94,0.58,N,9,TRUE,FALSE,FALSE,1,FALSE,1,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,C09AA06_Quinapril_CI-906_,,,,,,,,
CHEMBL444186,,0,-2.71,0,-2.65,-2.65,11.2,3.2,268.27,6,8,2,2,19,NEUTRAL,268.27,268.1172,0,0,98.82,0.54,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,NSC-129943_ICRF-159_Razoxane_ICI 59118_ICRF 159_ICI-59118_,,,,,,,,
CHEMBL499915,A02BX51_A02BX01_A02BX71_,1,6.83,0,0.45,6.3,4.04,None,570.77,5,7,2,2,41,ACID,570.77,570.3557,2,2,117.97,0.35,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C,Carbenoxolone_,,,,,,,,
CHEMBL509924,D07AC06_D07XC04_,1,2.73,0,2.01,2.01,13.42,None,394.46,4,4,2,2,28,NEUTRAL,394.46,394.1956,0,0,74.6,0.76,N,2,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,Diflucortolone_BAY-866146_Diflucortolone valerate_Temetex_Nerisone fte_BAY866146_Diflucortolone 21-valerate_Nerisone_,,,,,,,,
CHEMBL1595,N02AA08_N02AA58_,1,1.73,1,-0.38,1.55,None,9.33,301.39,4,4,1,1,22,BASE,301.39,301.1678,0,0,41.93,0.86,N,1,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,Dh-codeine_Dehacodin_IDS-ND-008(SECT.2)_.alpha.-hydrocodol_8,14-dihydroneopine_Dihydrocodeine_Rapacodin_NSC-231319_Remedacen_Novicondin_Codhydrine_,,,,,,,
CHEMBL462605,N07XX11_,2,4.17,1,1.87,4.12,None,9.67,295.85,2,2,0,0,20,BASE,295.85,295.1703,0,0,12.47,0.67,N,8,TRUE,FALSE,FALSE,0,FALSE,0,Clc1ccc(CCCOCCCN2CCCCC2)cc1,Wakix_Pitolisant_Wakix, europe_Tiprolisant_BF-2649_HBS-101_BF-2.649_Bf2.649_BF2.649_,,,,,,,
CHEMBL517140,,2,3.19,2,1.11,3.1,13.84,9.4,351.45,4,5,1,1,26,BASE,351.45,351.1947,0,0,54.46,0.92,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,Gsk189254_GSK189254_,,,,,,,,
CHEMBL1596,J01CA05_,0,2.5,2,0.2,3.63,3.29,None,494.57,6,8,2,2,35,ACID,494.57,494.1512,0,0,113.01,0.27,N,6,TRUE,FALSE,FALSE,1,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)O,Carindacillin_Indanyl carbenicillin_Carbenicillin indanyl_,,,,,,,,
CHEMBL1597,V03AB09_,0,0.21,0,0.21,0.21,9.58,None,124.23,3,1,3,1,6,NEUTRAL,124.23,124.0017,0,0,20.23,0.45,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,OCC(S)CS,Panobal_Bal_Sulfactin_Dicaptol_2,3-dithiopropan-1-ol_1-propanol,2,3-dimercapto_Dimercaprolum_Anti-Lewisite_NSC-4646_2,3-dithiopropanol_Dimercaprol_Dimersol_B.a.l._2,3,-dimercapto-1-propanol_Antoxol_NSC-39515_,,
CHEMBL1599,J01DB08_,1,0.48,1,-4.17,-2.05,3.35,4.99,423.47,8,9,2,2,28,ACID,423.47,423.0559,0,0,125.9,0.37,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1,Cefapirin_Cephapirin_,,,,,,,,
CHEMBL1601,J01DC06_,1,-0.92,2,-6.86,-2.52,-1.32,None,542.58,12,14,4,4,35,ACID,542.58,542.0348,2,2,204.91,0.17,N,9,FALSE,TRUE,FALSE,0,FALSE,0,O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12,Cefonicid_Monocef_,,,,,,,,
CHEMBL1604,J01DB09_,1,0.35,0,-2.64,-2.45,3.27,7.6,349.41,5,7,3,4,24,ACID,349.41,349.1096,0,0,112.73,0.5,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1,SQ 11436_Cephradine anhydrous_Cephradine hydrate_Nicef_NSC-756672_SK-D-39304_SQ-11436_SK&F D-39304_Velosef '125'_Anspor_SQ-22022_Velosef '500'_Ecosporina_Cefradine_Cephradine, unspecified hydrate_Velosef_Velosef '250'_Cephradine_SQ 22022 [DIHYDRATE]_Cefradine hydrate_,,,,,,,
CHEMBL1605,J01DD14_,1,-0.05,1,-6.83,-1.48,2.85,4.68,410.43,8,10,4,5,27,ACID,410.43,410.0355,0,0,162.92,0.37,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1,Ceftibutin_Ceftibuten_SCH 39720_Ceftibuten dihydrate_Cedax_Ceftibuten hydrate_NSC-758925_ACHN383_SCH-39720_7432-S_ACHN-383_Seftem_,,,,,,,,
CHEMBL489095,,1,3.27,2,0.57,2.5,None,9.35,424.56,4,5,2,2,31,BASE,424.56,424.2638,0,0,47.61,0.75,N,6,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1,GSK962040_Gsk962040_GSK-962040B_Camicinal_GSK-962040_GSK962040B_,,,,,,,,
CHEMBL454138,,2,5.17,3,5.11,5.11,13.58,None,438.47,3,5,1,1,32,NEUTRAL,438.47,438.1755,1,1,62.4,0.57,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21,Turofexorate isopropyl_XL-335_XL335_WAY-362450_FXR-450_,,,,,,,,
CHEMBL454950,,1,-0.21,1,-3.7,-3.47,2.91,8.81,480.9,9,10,6,7,32,ZWITTERION,444.44,444.1533,1,1,181.62,0.34,N,2,TRUE,TRUE,TRUE,0,TRUE,0,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl,Robitet_Tetrachel_Tetracyclini hydrochloridum_Topicycline_Panmycin_Bristacycline_Tetracyn_Tetracycline hcl_Vetquamycin 324_Tetramed_Cyclopar_Neocycline b_Retet_Tetracycline hydrochloride_Sumycin_Achromycin_Latycin_Achromycin v_Actisite_NSC-757338_,,,,,,,,
CHEMBL460702,,2,5.19,4,3.91,3.93,12.82,5.97,512.9,7,8,2,3,36,NEUTRAL,512.9,512.1063,2,2,108.47,0.35,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1,ASLAN002_ASLAN-002_BMS-777607_Bms-777607_,,,,,,,,
CHEMBL502097,C10AX11_,1,None,None,None,None,None,None,7594.91,None,None,None,None,None,NA,7177.25,7172.0917,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,1,COCCO[C@H]1[C@@H](O)[C@H](COP(=O)([O-])S[C@H]2[C@H](COP(=O)([O-])S[C@H]3[C@H](COP(=O)([O-])S[C@H]4[C@H](COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5CO)O[C@H](n5cc(C)c(N)nc5=O)[C@H]4OCCOC)O[C@H](n4cnc5c(N)ncnc54)[C@H]3OCCOC)O[C@H](n3cc(C)c(N)nc3=O)[C@H]2OCCOC)O[C@@H]1n1cc(C)c(N)nc1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],Kynamro_Mipomersen sodium_Mipomersen sodium salt_ISIS-301012_ISIS 301012_,,,,,,,,
CHEMBL1607,,1,1.85,3,-0.91,-0.33,8,9.75,457.91,8,8,2,2,31,BASE,421.45,421.1638,0,0,104.89,0.49,N,3,TRUE,TRUE,FALSE,0,FALSE,1,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,NSC-759263_Topotecan actavis_Hycamptin_Topotecan hydrochloride_Topotecan hospira_Topotecan_Topotecan (as hydrochloride)_Nogitecan hydrochloride_Topotecan hcl_Hycamtin_SK-S-104864-A_Evotopin_Topotecan teva_SK&F S-104864-A_SK&F-S-104864A_,,,,,,,,
CHEMBL491473,L01EK02_,2,5.22,4,2.39,4.13,None,9.14,450.51,6,7,1,1,33,BASE,450.51,450.2067,1,1,72.5,0.37,N,8,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,AZD-2171_Recentin_Azd-2171_ZD-2171_Cediranib_AZD2171_,,,,,,,,
CHEMBL506981,,2,5.77,4,2.17,4.02,3.39,5.23,587.08,7,9,2,2,42,ACID,587.08,586.1983,2,2,115.57,0.28,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12,SR-48692_Reminertant_Meclinertant_Sr48692_,,,,,,,,
CHEMBL461101,B02BX05_,2,4.56,3,1.28,6.03,3.97,None,442.48,6,8,3,3,33,ACID,442.48,442.1641,0,0,114.59,0.4,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O,Eltrombopag_SB497115_Revolade_,,,,,,,,
CHEMBL465026,N02BG06_,0,3.24,2,2.77,3.4,None,7.92,253.35,2,2,0,0,19,NEUTRAL,253.35,253.1467,0,0,12.47,0.77,N,1,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCOC(c2ccccc2)c2ccccc2C1,Nefopam_,,,,,,,,
CHEMBL474579,J01DC05_,0,-1.4,1,-7.1,-0.38,3.03,None,575.63,14,15,4,5,36,ACID,575.63,575.0021,2,2,219.93,0.07,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,Cefotetan_NSC-760045_ICI 156,834_Ici-156,834_ICI-156834_Cefotan_,,,,,,
CHEMBL514800,L04AA32_,1,2.43,2,1.31,1.31,12.98,None,460.51,7,9,1,1,32,NEUTRAL,460.51,460.1304,0,0,119.08,0.6,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC,Apremilast_CC10004_CC-10004_Otezla_,,,,,,,,
CHEMBL1609,B05CA06_J01XX06_,0,0.8,1,-2.39,0.9,3.75,None,152.15,2,3,2,2,11,ACID,152.15,152.0473,0,0,57.53,0.66,Y,2,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)C(O)c1ccccc1,Mandelic Acid_Paramandelic acid_Mandelic acid_NSC-7925_Racemic mandelic acid_Dl-mandelic acid_,,,,,,,,
CHEMBL1611,,2,1.97,2,1.07,2.63,5.86,None,274.25,2,4,2,2,19,ACID,252.27,252.0899,0,0,61.69,0.86,N,2,TRUE,TRUE,FALSE,0,FALSE,1,O=C1N=C([O-])NC1(c1ccccc1)c1ccccc1.[Na+],Phenytoin sodium,extended_Extended phenytoin sodium_NSC-757274_Pentran_Diphenylhydantoin sodium_Phenytoin Sodium_Tacosal_Phenytex_Phenytoin sodium for injection_Phenytoin sodium salt_Phenytoin sodium, extended_Phenytoinum natricum_Phenytoin sodium,prompt_Phenytoin sodium_Prompt phenytoin sodium_Phenytoin sodium, prompt_Phenytoin sodium extended_Dilantin_Antisacer_Diphenylan sodium_Phenytek_,,,,
CHEMBL473159,A03AX12_,2,0.8,1,1.05,1.06,9.13,None,126.11,3,3,3,3,9,NEUTRAL,126.11,126.0317,0,0,60.69,0.48,N,0,FALSE,FALSE,FALSE,0,FALSE,0,Oc1cc(O)cc(O)c1,Phloroglucin_Sym-trihydroxybenzene_Phloroglucinol_NSC-1572_Spasfon-lyoc_Spasfon_Benezene-1,3,5-triol_Dilospan s_,,,,,,
CHEMBL512351,B01AF04_,2,4.14,3,1.05,3.44,13.86,11.06,451.91,5,8,3,3,32,BASE,451.91,451.1411,0,0,107.41,0.39,N,6,TRUE,FALSE,FALSE,0,FALSE,1,COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,PRT054021_PRT-054021_Bevyxxa_Betrixaban maleate_Betrixaban_,,,,,,,,
CHEMBL473417,L01XJ01_,2,4.71,3,3.93,3.93,13.5,3.7,421.31,4,5,1,1,27,NEUTRAL,421.31,420.0102,0,0,76.13,0.66,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1,GDC-0449_Erivedge_Vismodegib_NSC-747691_NSC-755986_,,,,,,,,
CHEMBL475251,,2,3.63,3,3.63,3.63,10.9,3.05,470.46,10,11,3,3,34,NEUTRAL,470.46,470.1714,1,0,128.75,0.47,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,R940406_Tamatinib_R-406_,,,,,,,,
CHEMBL522302,,1,3.27,3,2.11,3.55,None,8.82,432.45,7,7,2,2,31,BASE,432.45,432.1885,0,0,76.89,0.62,N,6,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,Gr-205171_GR205171_GR-205171_Vofopitant_,,,,,,,,
CHEMBL491571,J01DH04_,1,-1.6,0,-5.57,-5.56,3.34,9.51,420.51,7,10,5,6,27,ZWITTERION,420.51,420.1137,1,0,162.06,0.31,N,7,FALSE,TRUE,FALSE,0,FALSE,0,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12,Finibax_Doribax_S-4661_Doripenem_,,,,,,,,
CHEMBL522987,,1,5.93,2,5.01,5.33,None,7.45,491.45,2,4,1,1,34,NEUTRAL,491.45,491.1808,1,1,35.58,0.54,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,Vestipitant_Gw597599_GW-597599_,,,,,,,,
CHEMBL359744,,1,0,2,0.1,0.53,8,9.03,579.99,12,12,6,7,39,BASE,543.53,543.1741,3,3,206.07,0.24,N,5,FALSE,TRUE,FALSE,0,FALSE,1,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl,Doxorubicin citrate_Liposomal doxorubicin hydrochloride_Doxorubicin citric acid salt_Doxorubicin HCl_Doxorubicin liposomal complex of the hydrochloride_Doxorubicin hydrochloride_Doxil_Doxorubicini hydrochloridum_Adriamycin pfs_Adriamycin_Doxorubicin hcl_Doxil (liposomal)_Doxorubicin hydrochloride (liposomal)_Caelyx_Adriamycin, hydrochloride_Hydroxydaunomycin hydrochloride_Rubex_Adriablastina cs_Adriamycin Rdf_Myocet_,,,,,,,
CHEMBL447868,N02BA04_,-1,None,None,None,None,None,None,160.1,None,None,None,None,None,NA,160.1,160.0136,None,None,None,None,None,None,FALSE,FALSE,FALSE,0,FALSE,0,O=C([O-])c1ccccc1O.[Na+],Kerasalicyl_Salicylic acid sodium salt_Natrii salicylas_NSC-202167_Sod sal_Sodium salicylate_Enterosalicyl_Salicylate sodium_Sodium Salicylate_Natrum salicylicum_Alysine_,,,,,,,,
CHEMBL506569,C01AA06_,1,0.61,0,0.59,1.04,7.15,None,985.13,20,20,8,8,69,NEUTRAL,985.13,984.493,3,3,288.28,0.1,N,11,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,Lanatoside c_NSC-119991_Digilanogen c_Lanimerck_Lanatoside c jp 17_Lanatigen c_Celadigal_Cetosanol_NSC-7533_Isolanid_Allocor_Cedilanid_Isolanide_,,,,,,,,
CHEMBL1614,C01AA07_,1,0.04,0,0.15,0.6,7.15,None,943.09,19,19,9,9,66,NEUTRAL,943.09,942.4824,3,3,282.21,0.1,N,10,FALSE,TRUE,FALSE,0,FALSE,0,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1,Desacetyl-lanatoside c_Cedilanid-d_Deacetylanatoside c_Deslanoside_,,,,,,,,
CHEMBL1616,,1,2.85,2,2.58,2.88,9.26,7.72,303.79,3,3,2,2,20,NEUTRAL,267.33,267.1259,0,0,43.7,0.72,Y,0,FALSE,TRUE,FALSE,0,FALSE,0,CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl,Taluvian_Diaphine_NSC-755875_Apomorph hcl_Apomorphinum muriaticum_Diagesil_Apomorphine hydrochloride hemihydrate_Apo-go pen_NSC-11442_Kw-6500_Apo-go_Apo-go pfs_Dacepton_Kynmobi_Uprima_Diamorph hcl_Apomine_Apokinon_Diamorph,cocaine,chlorpromazine_Apomorphine hydrochloride hydrate_Apokyn_Britaject_Apomorphine hydrochloride_Diamorph roche_Bromophin_Apomorphine HCl_Diamorphine hydrochloride _Apomorphine hcl_Ixense_Euphorin_,,,,,,
CHEMBL1617,D06AX11_A07AA11_,1,6.16,4,3.93,4.59,6.42,5.88,785.89,13,14,5,5,57,ACID,785.89,785.3524,3,3,198.38,0.11,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,Rifaximin_Targaxan_Rifamycin l 105_Xifaxanta_Normix_L-105_Xifaxsan_Rifacol_NSC-758957_Xifaxan_Rifaxidin_,,,,,,,,
CHEMBL1618,,1,-0.04,2,-3.04,0.42,3.1,None,512.51,11,12,2,2,33,ACID,490.52,490.0729,1,1,156.61,0.28,N,9,FALSE,TRUE,FALSE,1,FALSE,0,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1.[Na+],Cefamandole nafate sodium_Mandol_Cefamandole nafate_Cefamandole Nafate sodium_106223_Cephamandole nafate_NSC-299588_,,,,,,,,
CHEMBL1619,L01BB04_L04AA40_,1,-0.3,2,-0.28,-0.28,13.89,2.22,285.69,8,8,3,4,19,NEUTRAL,285.69,285.0629,0,0,119.31,0.65,N,2,FALSE,TRUE,FALSE,1,FALSE,1,Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Cladaribine_Mavenclad_NSC-105014_NSC-105014-F_RWJ-26251_Leustatin_Litak_Leustat_RWJ 26251_Cladribine_NSC-05014_2-cda_,,,,,,,,
CHEMBL448343,,0,-0.25,0,-2.81,-2.8,2.16,8.92,141.08,2,3,2,3,8,ZWITTERION,141.08,141.0355,0,0,63.32,0.53,N,3,FALSE,FALSE,FALSE,0,FALSE,0,NC[C@@H](F)C[PH](=O)O,AZD3355_AZD-3355_Lesogaberan_Azd3355_,,,,,,,,
CHEMBL1620,,2,3.35,2,2.17,3.65,None,8.87,291.82,2,2,0,0,19,BASE,255.36,255.1623,0,0,12.47,0.78,N,6,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCOC(c1ccccc1)c1ccccc1.Cl,Diphenhydramine hcl_Dimedrol_Sleepia_Diphenhydramine hydrochloride preservative free_Nytol_Antitussive_Dibenil_Diphenhydramine hydrochloride_Belix_Hydramine_Medinex_Beldin_Syntedril_Tixylix catarrh_Dreemon_Nightcalm_Diphenhydramine HCl_Gppe oral soln_Nytol one-a-night_Silphen_Coltex_Benylin_Benadryl_Paxidorm_Dytuss_Vicks formula 44_Benadryl preservative free_Diphen_Fedril_Histergan_NSC-33299_Alledryl_Gppe cough expect paed_Caladryl_,,,,,,,,
CHEMBL1621,N05AX13_,0,3.08,3,0.38,1.76,13.74,8.76,426.49,7,7,1,1,31,BASE,426.49,426.2067,0,0,84.39,0.69,N,4,TRUE,FALSE,FALSE,0,FALSE,1,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O,NSC-759623_Trevicta_RO76477_RO-76477_Paliperidone_Xeplion_R-76477_Risperidone impurity, 9-hydroxyrisperidone-_Invega_9-hydroxyrisperidone_,,,,,,,
CHEMBL494089,,1,1.58,3,-1.4,1.17,13.27,10.07,425.49,10,10,3,4,31,BASE,425.49,425.2175,0,0,137.14,0.52,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21,GSK690693_Gsk-690693_GSK 690693_,,,,,,,,
CHEMBL524004,A03AB12_,0,2.7,2,-0.97,-0.97,11.05,None,340.44,3,4,1,1,25,NEUTRAL,340.44,340.1907,0,0,46.53,0.69,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,Mepenzolate cation_Mepenzolate ion_Mepenzolate_Mepenzolate bromide free base_,,,,,,,,
CHEMBL1623,R06AE55_R06AE05_,0,5.56,3,5.91,6.39,None,7.71,390.96,2,2,0,0,28,NEUTRAL,390.96,390.1863,1,1,6.48,0.56,N,5,TRUE,FALSE,FALSE,0,FALSE,0,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1,Meclizine_Meclozine_NSC-169189_,,,,,,,,
CHEMBL1624,,1,4.56,2,3.44,3.73,0.27,9.43,776.87,4,5,3,4,24,ZWITTERION,776.87,776.6867,1,1,92.78,0.39,N,5,TRUE,TRUE,FALSE,0,FALSE,1,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,Synthetic levothyroxine_Thyroxine, l-_L-thyroxine_Levothyroxine_NSC-36397_Levothyroxin_,,,,,,,
CHEMBL1626,R06AA54_R06AA04_D04AA14_,1,5.1,2,2.79,4.92,None,9.55,343.9,2,2,0,0,24,BASE,343.9,343.1703,1,1,12.47,0.72,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,HS-592_NSC-756685_Clemastine_Clemastin_,,,,,,,,
CHEMBL521686,L01XK01_,2,2.35,3,1.96,1.96,9.96,None,434.47,4,7,1,1,32,NEUTRAL,434.47,434.1754,0,0,86.37,0.68,N,4,TRUE,FALSE,FALSE,0,FALSE,0,O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1,Lynparza_AZD-2281_KU-59436_AZ2281_KEYLYNK-010 COMPONENT OLAPARIB_Olaparib_OLAPARIB COMPONENT OF KEYLYNK-010_KU-0059436_AZD2281_NSC-747856_AZ-2281_,,,,,,,,
CHEMBL493287,M01AX05_,1,-3.25,0,-3.93,-3.04,11.73,8.23,179.17,6,6,5,6,12,NEUTRAL,179.17,179.0794,1,0,116.17,0.29,N,1,FALSE,FALSE,FALSE,0,FALSE,0,N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,Chitosamine_Glucosamine_Mediflex_,,,,,,,,
CHEMBL521851,,2,2.15,4,2.44,2.46,11.6,5.98,513.65,9,10,1,1,35,NEUTRAL,513.65,513.1617,1,1,107.55,0.43,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1,Rg-7321_Pictrelisib_Pictilisib_GDC 0941_CDC-0941_GDC-0941_,,,,,,,,
CHEMBL518520,,2,0.91,3,-0.92,-0.39,7.02,None,482.51,9,11,3,3,32,NEUTRAL,444.42,444.1557,1,0,152.24,0.51,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n2C)o1.[K+],Isentress hd_Raltegravir potassium_MK-0518 POTASSIUM_Raltegravir monopotassium salt_Isentress_Raltegravir potassium salt_MK0518 POTASSIUM_MK-0518_,,,,,,,,
CHEMBL447664,,2,2,4,2.22,2.22,None,4.13,321.34,8,8,2,4,24,NEUTRAL,321.34,321.1338,0,0,121.67,0.55,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,VER-A00049_Biib014_V2006_V-2006_Vipadenant_BIIB014_VER-A-00-11_VER-A00-11_VER-A-00049_VER-11135_BIIB-014_VER-ADO-49_CEB-4520_,,,,,,,,
CHEMBL443605,R02AA12_,2,3.22,1,4.1,4.1,9.55,None,194.27,2,2,2,2,14,NEUTRAL,194.27,194.1307,0,0,40.46,0.71,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CCCCCCc1ccc(O)cc1O,INS-586_Sucrets_E-586_Hexylresorcinol_INS NO.586_,,,,,,,,
CHEMBL1632,,1,0.59,1,-3.38,0.02,3.43,None,418.43,7,8,2,2,26,ACID,396.45,396.045,0,0,113.01,0.53,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+],38253_Keflin_Cefalotin_Sodium cephalothin_Synclotin_NSC-756667_Toricelocin_Cephalothin sodium salt_Cephalothin_Seffin_Cefalotin sodium_Averon_Cephalothin sodium_,,,,,,,,
CHEMBL504652,,0,1.41,1,-2.17,0.78,None,10.64,203.29,3,3,1,1,15,BASE,203.29,203.1422,0,0,28.16,0.75,Y,1,FALSE,FALSE,FALSE,0,FALSE,0,c1cncc(N2CCC3(CCCN3)C2)c1,Tc-2216_TC-2216_,,,,,,,,
CHEMBL1633,,2,4.01,2,3.16,3.35,12.67,7.15,425.51,3,2,0,0,22,NEUTRAL,309.43,309.1187,0,0,20.31,0.73,N,0,FALSE,FALSE,TRUE,0,FALSE,0,CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O,Alaway_HC-20511 FUMARATE_Ketotifen fumarate_Ketotifen (as fumarate)_Zaditen_Ketotifen hydrogen fumarate_Zaditor_HC 20,511 FUMARATE_NSC-757415_,,,,,,,
CHEMBL467888,,1,3.83,2,3.58,3.58,10.91,0.46,394.31,3,4,2,2,27,NEUTRAL,394.31,394.1116,0,0,56.33,0.76,N,2,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,Lgd-2941_,,,,,,,,
CHEMBL466659,C01DA55_C01DA05_,2,-1.19,0,0.06,0.06,None,None,316.14,12,16,0,0,21,NA,316.14,316.0139,1,1,209.48,0.31,N,12,FALSE,FALSE,FALSE,0,FALSE,0,O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],Pentalong_Peritrate_Cardiacap_Pentanitrol_Pentaerithrityl tetranitrate_Mycardol_Peritrate sa_Pentaerithritol tetranitrate_Pentaerythritol tetranitrate_Pentaerythrityl tetranitrate_Pentritol tempules_,,,,,,,,
CHEMBL1637,,1,-1.29,1,-1.47,-1.47,11.52,None,299.66,7,7,3,4,18,NEUTRAL,263.2,263.0718,0,0,110.6,0.61,N,2,FALSE,TRUE,FALSE,1,FALSE,0,Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,LY-188011_Infugem_Gemcitabine (as hydrochloride)_LY188011 HYDROCHLORIDE_Gemcitabine hcl_LY-188011 HYDROCHLORIDE_Gemcitabine hydrochloride_Gemzar_,,,,,,,,
CHEMBL467084,,1,2.32,2,0.1,1.98,None,9.31,198.27,2,2,1,2,15,BASE,198.27,198.1157,0,0,38.91,0.82,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,N[C@@H](Cc1ccccn1)c1ccccc1,AZD6765_Lanicemine_AZD-6765_AR-R15896AR_Azd6765_,,,,,,,,
CHEMBL1639,C09XA02_,1,3.29,1,1,3.12,None,9.57,551.77,7,9,4,6,39,BASE,551.77,551.3934,2,1,146.13,0.19,N,19,TRUE,FALSE,FALSE,0,FALSE,1,COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC,Rasilez_SPP100_SPP-100_Aliskiren_,,,,,,,,
CHEMBL1641,,1,1.9,0,-2.42,1.15,1.18,None,442.45,6,8,4,4,30,ACID,442.45,442.1757,0,0,141.36,0.48,N,4,FALSE,TRUE,FALSE,1,FALSE,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,Hydrocortisone phosphate_,,,,,,,,
CHEMBL485253,N02CA04_,1,1.94,2,1.25,1.82,None,7.83,353.47,4,5,2,2,26,NEUTRAL,353.47,353.2103,0,0,57.5,0.88,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CCC(CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,Methysergide_Deseril_,,,,,,,,
CHEMBL1642,,2,4.59,4,3.8,4.38,12.69,7.84,589.72,7,8,2,2,37,NEUTRAL,493.62,493.259,0,0,86.28,0.39,N,7,TRUE,FALSE,FALSE,0,FALSE,0,CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,Imatinib accord_Imatinib medac_Glivec_QTI571_STI-571_Imatinib mesylate_Qti571_QTI-571_Gleevec_STI571_Imatinib (as mesilate)_NSC-716051_Imatinib methanesulfonate_Imatinib mesilate_Imatinib methane sulfonate_STI 571_,,,,,,,,
CHEMBL1643,J05AP01_,1,-3.01,1,-2.77,-2.77,11.88,None,244.21,8,9,4,5,17,NEUTRAL,244.21,244.0808,0,0,143.72,0.44,N,3,TRUE,FALSE,TRUE,1,FALSE,1,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,Ribavirin mylan_Tribavirin_Cotronak_Ribavirin biopartners_Viramid_Ribasphere_Ribapak_Copegus_Ribavirin teva_NSC-163039_Rebetol_SCH-18908_Ribavirin_Virazid_Virazole_Ribofluranosyl Carboxamide_Ribavarin_SCH 18908_,,,,,,,,
CHEMBL1644,J01DB05_,1,0.15,1,-2.81,-2.45,3.25,7.22,363.39,6,8,4,5,25,ACID,363.39,363.0889,0,0,132.96,0.56,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1,MJF 11567-3_NSC-756664_BL-S578_Cefadroxil hydrate_Cefadroxil anhydrous_Duracef_Baxan_Cefadroxil monohydrate_Cefadroxil_Duricef_Cefatabs_Cefadrops_Anhydrous cefadroxil_MJF-11567-3_Cefadroxil/cefadroxil hemihydrate_Cefadroxil (as monohydrate)_Ultracef_,,,,,,,,
CHEMBL494753,,1,3.29,1,1.46,3.83,-1.75,None,350.44,4,5,1,1,24,ACID,350.44,350.1188,0,0,80.67,0.83,N,2,TRUE,FALSE,TRUE,0,FALSE,1,C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,Estrone Sulphate_,,,,,,,,
CHEMBL496102,,2,3.93,5,3.34,3.37,None,6.17,383.41,7,7,0,0,29,NEUTRAL,383.41,383.1382,0,0,74.43,0.46,N,5,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1,Amg 208_AMG-208_Amg208_Amg-208_,,,,,,,,
CHEMBL1648,C08CA03_,0,2.58,2,2,2,None,None,371.39,8,8,1,1,27,NEUTRAL,371.39,371.1481,0,0,103.55,0.82,N,4,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12,PN-200-110_NSC-759892_PN 200-110_Isradipine_Isrodipine_Prescal_Dynacirc_Dynacirc cr_,,,,,,,,
CHEMBL493982,B01AC26_,1,5.63,2,5.04,5.04,None,4.32,492.59,5,6,1,1,36,NEUTRAL,492.59,492.2424,1,1,77.52,0.55,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,Vorapaxar_SCH-530348_,,,,,,,,
CHEMBL1650,S01BA03_H02AB10_,1,2.56,0,2.1,2.1,12.6,None,402.49,6,6,1,1,29,NEUTRAL,402.49,402.2042,0,0,97.74,0.73,N,3,TRUE,TRUE,FALSE,0,FALSE,0,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,NSC-49420_Cortistab_Cortone_Cortisone 21-acetate_Cortisone acetate_Cortisone aceticum_Cortelan_Cortisone_Cortate_Cortisone Acetate_Cortisyl_,,,,,,,,
CHEMBL515966,,1,6.2,3,4.65,6.57,None,9.26,454.66,3,3,1,1,34,BASE,454.66,454.2984,1,1,24.5,0.44,N,8,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(C(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1,Ezlopitant_CJ-11, 974_Cj-11974_CJ-11,974_,,,,,,
CHEMBL477772,L01EX03_,2,3.14,4,3.55,3.55,10.41,4.36,437.53,8,9,2,3,31,NEUTRAL,437.53,437.1634,0,0,119.03,0.49,N,5,TRUE,FALSE,FALSE,0,FALSE,1,Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,NSC-752782_Votrient_GW786034_Pazopanib_,,,,,,,,
CHEMBL476323,,2,4.58,3,1.89,3.86,None,9.37,431.46,5,5,0,0,31,BASE,431.46,431.1821,0,0,47.36,0.54,N,6,FALSE,FALSE,FALSE,0,FALSE,0,Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,MK-0249_Mk-0249_MK0249_,,,,,,,,
CHEMBL1652,N07AA30_,2,4.64,2,-3.63,-3.63,11.48,None,537.58,2,6,2,2,36,NEUTRAL,537.58,536.2674,1,1,58.2,0.27,N,14,TRUE,FALSE,FALSE,0,FALSE,0,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl,Ambenonium ion_Ambenonium cation_Ambenonium_,,,,,,,,
CHEMBL501867,,1,3.52,3,1.14,3.13,10.85,8.66,923.05,12,14,3,3,60,BASE,824.97,824.3996,2,2,171.17,0.13,N,8,FALSE,TRUE,FALSE,0,FALSE,1,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O,Novopharm_Vincasar pfs_Vincristine sulfate liposome_Marqibo kit_Marqibo_Vincristine sulfate pfs_Oncovin_Vincristini sulfas_Vincristine sulfate_Kyocristine_LILLY-37231_37231_NSC-67574_Vincristine sulphate_Vincasar_Leurocristine Sulfate_Vincrex_Vincrisul_,,,,,,,,
CHEMBL513909,,1,3.56,2,1.87,3.06,12.25,8.57,521.67,8,10,2,2,38,BASE,521.67,521.3114,1,1,102.93,0.57,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,Bi-2536_Bi 2536_BI-2536_,,,,,,,,
CHEMBL1653,,0,3.17,2,0.91,2.98,None,9.48,356.42,2,2,0,0,18,BASE,240.35,240.1626,0,0,16.13,0.8,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)/C=C\C(=O)O,Avil ret_Fervex_Daneral_Trimetose_PM-241_Pheniramine Maleate_NSC-757270_Pheniramine maleate_Prophenpyridamine maleate_Daneral-sa_Antolozine_Naphcon a_Trimeton_Inhiston_Pheniramine hydrogen maleate_,,,,,,,,
CHEMBL450449,L01CX01_,1,3.41,3,3.97,4.19,9.25,7.19,761.85,15,14,4,4,54,NEUTRAL,761.85,761.2618,2,2,168.72,0.23,N,3,FALSE,TRUE,FALSE,0,FALSE,0,COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4,Trabectedin_NSC-648766_Ecteinascidins trabectedin_Ecteinascidin 743_Yondelis_ET-743_,,,,,,,,
CHEMBL495727,,2,2.07,3,1.19,1.29,9.85,6.83,381.44,5,9,4,4,28,NEUTRAL,381.44,381.1913,0,0,110.96,0.54,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1,AT-9283_At-9283_At 9283_AT9283_,,,,,,,,
CHEMBL1654,,2,-0.37,1,-6.73,-3.32,0.68,4.91,305.1,4,8,5,5,17,ACID,283.11,283.0011,0,0,148.18,0.47,N,4,TRUE,FALSE,FALSE,0,FALSE,0,O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+],Risedronic acid monosodium salt_Risedronate sodium anhydrous_NSC-722598_Atelvia_Actonel_NE-58095_NSC-759280_NE-58095 ANHYDROUS_Risedronate monosodium_Risedronate sodium_,,,,,,,,
CHEMBL522892,,2,2.54,4,1.04,1.35,8.56,7.87,392.44,5,7,3,4,29,NEUTRAL,392.44,392.1761,0,0,94.04,0.49,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,TKI-258_GFKI-258_CHIR-258_NVP-TKI258_Dovitinib_Tki-258_,,,,,,,,
CHEMBL1655,L02BA02_,2,6.22,3,4.89,6.27,None,8.76,405.97,2,2,0,0,29,BASE,405.97,405.1859,1,1,12.47,0.31,N,9,TRUE,FALSE,FALSE,1,FALSE,1,CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,Farestone_Toremiphene_Acapodene_J33.157K_GTX-006_Toremifene_Chlortamoxifen_,,,,,,,,
CHEMBL1657,D05AX05_,2,4.43,2,5.22,5.22,None,1.23,351.47,4,3,0,0,25,NEUTRAL,351.47,351.1293,0,0,39.19,0.59,N,2,FALSE,FALSE,TRUE,1,FALSE,0,CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1,Idp-123_Tazorac_Zorac_AGN 190168_Avage_Fabior_Arazlo_Tazarotene_AGN-190168_,,,,,,,,
CHEMBL1658,D06AX13_,1,5.25,0,2.11,4.37,None,9.69,517.78,6,5,1,1,36,BASE,517.78,517.3226,2,2,66.84,0.4,N,5,FALSE,FALSE,TRUE,0,FALSE,0,C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O,Sb 275833_Altargo_Retapamulin_Altabax_SB-275833_Aitabax_NSC-759885_,,,,,,,,
CHEMBL1659,,0,3.82,2,1.52,3.58,None,9.47,390.87,2,2,0,0,19,BASE,274.8,274.1237,0,0,16.13,0.82,N,5,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,Rimarin_Synistamin_Chlorphenamine maleate_Chlorphenamine_Efidac 24 chlorpheniramine maleate_Chlorphenamine hydrogen maleate_Piriton_Teldrin_Neorestamin_Chlorphenamini hydrogenomaleas_Phenetron_Calimal_(+)-Chlorpheniramine Maleate_Allercalm allergy relief_Efidac_Kloromin_Piriject_Piriton allergy_Antagonate_Chlorpheniramine Maleate_Pyridamal 100_Pyridamal_Chlor-trimeton_Allerief_Chlorprophenpyridamine maleate_Histaspan_Hayleve_NSC-756684_Rhino-syrup allergy_Alunex_Chlorpheniramine maleate_,,,,,,,,
CHEMBL453514,J01FA02_,1,2.33,0,0.02,2.5,12.53,9.26,843.06,16,16,4,4,59,BASE,843.06,842.514,2,2,195.38,0.17,N,11,FALSE,FALSE,FALSE,0,FALSE,0,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O,NSC-758472_Rovamycine_Rovamycine 250_Spiramycin_NSC-64393_IL-5902_RP-5337_Rovamicina_NSC-55926_Rovamycin_RP 5337_Selectomycin_Acetylspiramycin_Spiramycin I_IL 5902_,,,,,,,,
CHEMBL507870,J01XA03_,1,None,None,None,None,None,None,1755.66,None,None,None,None,None,NA,1755.66,1753.6374,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,1,CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O,Televancin_Telavancin_,,,,,,,,
CHEMBL499808,J02AX04_,1,None,None,None,None,None,None,1093.33,None,None,None,None,None,NA,1093.33,1092.6431,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O,Caspofungin_L-743,872_MK-991_Caspofungin acetate_Cancidas_L-743872_,,,,,,,
CHEMBL501122,J01DI02_,1,-0.11,3,-6.83,-3.71,1.76,0.35,684.7,14,16,4,4,43,ACID,684.7,684.0103,2,2,223.24,0.07,N,11,FALSE,TRUE,FALSE,1,FALSE,0,CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1,Ceftaroline fosamil anhydrous_TAK 599_TAK-599_PPI-0903_Ceftaroline fosamil_,,,,,,,,
CHEMBL1660,J04AB05_,1,5.65,2,3.78,3.7,7,7.82,877.04,15,16,6,6,63,NEUTRAL,877.04,876.4521,4,4,220.15,0.09,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,MDL 473_ANTIBIOTIC DL-473IT_R-77-3_MDL-473_Prifitin_DL-473_R-773_Rifapentine_Rifapentin_KTC-1_Priftin_,,,,,,,,
CHEMBL1661,A06AD12_,1,-5.76,0,-5.5,-5.5,12.1,None,344.31,11,11,9,9,23,NEUTRAL,344.31,344.1319,2,2,200.53,0.2,N,8,TRUE,FALSE,FALSE,0,FALSE,0,OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,E-966_D-lactitol_Lactositol_Finlac dc_Lactitol anhydrous_Pizensy_Importal_Lactitol acm 50_NSC-231323_Lactitol hydrate_Lactitol monohydrate_Milchen_Lactobiosit_Miruhen_NSC-759131_INS NO.966_Lactosit_INS-966_D-lactitol monohydrate_BLI-400_Lacty (saccharide)_Lactitol_,,,,,,,,
CHEMBL498847,P01AB07_,0,0.48,1,-0.04,-0.04,None,3.02,185.18,5,6,1,1,13,NEUTRAL,185.18,185.08,0,0,81.19,0.55,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ncc([N+](=O)[O-])n1CC(C)O,RP 14539_Flagentyl_Secnol_RP-14539_SYM-1219_Deprozol_Secnidazole anhydrous_NSC-759812_PM-185184_Solosec_Secnidal_Sabima_Ornidazole metabolite m4_Secnidazole_,,,,,,,,
CHEMBL514201,,1,3.98,3,3.89,3.9,None,5.87,513.01,5,7,0,0,36,NEUTRAL,513.01,512.199,1,1,65.86,0.38,N,5,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1,Talmapimod_SCIO 469_Scio-469_SCIO-469_,,,,,,,,
CHEMBL523299,R03BB07_,2,5.14,3,0.68,0.68,13.04,None,508.5,2,3,1,1,32,NEUTRAL,428.6,428.2584,1,1,29.46,0.4,N,8,FALSE,FALSE,TRUE,0,FALSE,0,OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-],Incruse ellipta_Anoro ellipta_GSK573719A_Umeclidinium bromide_GSK-573719A_Umeclidinium brom_,,,,,,,,
CHEMBL483254,L01XH03_,2,3.33,3,0.97,2.48,9.31,9.95,349.43,3,5,4,4,26,BASE,349.43,349.179,0,0,77.15,0.23,N,7,TRUE,FALSE,FALSE,0,FALSE,1,Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1,Panobinostat hydrate_Farydak_LBH589_LBH-589_Panobinostat_,,,,,,,,
CHEMBL489411,D01AE16_,0,4.66,1,4.49,5.62,None,8.49,317.52,2,2,0,0,23,NEUTRAL,317.52,317.2719,0,0,12.47,0.76,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1,Amorolfine_Amorolfine hydrochloride_Loceryl_Amorolfine (as hydrochloride)_Omicur_Loceryl curanail_RO 14-4767/000_Amorolfine hcl_,,,,,,,,
CHEMBL1664,J05AE07_,1,2.52,2,-1.2,1.92,1.22,2.45,585.62,8,12,4,5,39,ACID,585.62,585.191,2,1,177.72,0.2,N,13,TRUE,FALSE,FALSE,1,FALSE,0,CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,GW433908_GW-433908_Fosamprenavir_GW433908A_,,,,,,,,
CHEMBL490029,,1,6.32,4,4.02,7.3,3.78,None,527.5,6,7,1,1,38,ACID,527.5,527.1556,2,2,86.99,0.26,N,9,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@@H](Oc1cccc(-n2c(C)c(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,MK0533_MK-0533_Mk-0533_,,,,,,,,
CHEMBL525610,H05AA02_,1,None,None,None,None,None,None,4117.79,None,None,None,None,None,NA,4117.79,4115.1309,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,1,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C,Pth (1-34)_ZT-034_Bonsity_Teriparatide_Teriparatide rdna_(1-34)-human parathyroid hormone_Human parathyroid hormone 1-34_LY333334_Teriparatide recombinant human_Forsteo_1-34-human pth_LY 333334_Forteo_LY-333334_,,,,,,,,
CHEMBL486696,,2,6.06,1,2.55,2.55,None,None,414.47,1,2,0,0,24,NEUTRAL,334.57,334.3104,1,1,9.23,0.28,N,15,FALSE,FALSE,FALSE,0,FALSE,0,CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-],NSC-39415_Oradol_Phenododecinium bromide_Domiphen bromide_,,,,,,,,
CHEMBL457547,J02AX05_,1,None,None,None,None,None,None,1270.29,None,None,None,None,None,NA,1270.29,1269.4384,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1,Micafungin_Mycamine_,,,,,,,,
CHEMBL1668,C02AA01_,1,4.57,3,3.92,4.07,None,7.02,634.73,10,11,1,1,46,NEUTRAL,634.73,634.289,2,1,117.78,0.27,N,9,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,Scinnamina_Apoterin s_Resealoid_Tsuruselpi s_Rescisan_Cinnaloid_Moderil_Cinnasil_Cartric_Reserpinine_Rescinnamine_NSC-15628_,,,,,,,,
CHEMBL464982,D11AX02_D11AX52_,2,5.66,0,3.62,6.06,4.92,None,278.44,1,2,1,1,20,ACID,278.44,278.2246,1,1,37.3,0.35,N,13,FALSE,FALSE,FALSE,0,FALSE,0,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,Epogam_Gamophase_18:3(N-6)_Epogam paed_Gammalinolenic acid_Unigam_Epoc_Epogam 80_Gam-o_Kentogam_Sonova 400_Gamolenic acid_Gamolenic-acid_Efamast 40_Gamma linolenic acid_(6z,9z,12z-octadecatrienoic acid_Gamma-linolenate_C18:3 (n-6)_Gammolin_Efamast 80_NDI 609_.gamma.-linolenic acid_Lin-gam_Delta-linolenic acid_Epogam 40_,,,,,,
CHEMBL459265,,2,4.46,2,1.39,1.4,None,4.83,372.54,2,3,0,0,28,NEUTRAL,372.54,372.2434,0,0,9.49,0.73,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1,,,,,,,,,
CHEMBL1670,L01XX23_,0,5.93,2,6.11,6.11,None,None,320.05,0,0,0,0,18,NEUTRAL,320.05,317.9537,1,1,0,0.62,N,3,TRUE,FALSE,FALSE,0,FALSE,1,Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,CB-313_O,p'-ddd,o p'-tde_NSC-38721_Opeprim_Lysodren_O,p'-ddd_Mitotane_Opddd_O,p'-tde_Chlodithane_Chloditan_CB 313_Mitotan_,,,,
CHEMBL1671,,0,2.58,2,0.36,2.58,None,9.67,295.81,3,3,2,2,19,BASE,259.35,259.1572,0,0,41.49,0.84,N,6,TRUE,TRUE,FALSE,0,FALSE,1,CC(C)NCC(O)COc1cccc2ccccc12.Cl,Lederpronol_Propanix-10_Sagittol_Propanix-80_Lopranol la_Beta-prograne mr_Propatard la_Dupromex_Propanix la_Bedranol_ICI 45520_Angilol_Propanix-40_Rapranol sr_Syprol_Slo-pro_AY 64043_Innopran_Innopran xl_Avlocardyl_Inderal_Propanix-160_Sloprolol_Propranolol hydrochloride_Slo-blok_NSC-91523_Berkolol_Inderal la_Half beta-prograne mr_Probeta la_Bedranol s.r._Tesnol_Half-betadur cr_ICI-45520_Apsolol_Half propanix la_Betadur cr_Half-beprane cr_Propranolol hydrochloride intensol_Half-inderal la_Hemangeol_Propanix-160 sr_Half propatard la_AY-64043_Cardinol_,,,,,,,,
CHEMBL454446,,1,2.3,2,2.82,2.82,10.82,3.4,620.74,14,13,2,3,41,NEUTRAL,620.74,620.1182,2,2,175.4,0.14,N,9,TRUE,FALSE,FALSE,1,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1,Cefditoren pivoxil_ME-1207_Cefditoren pivaloyloxymethyl ester_Spectracef_ME1207_CDTR-PI_NSC-759098_Meiact_Cefditoren_,,,,,,,,
CHEMBL1676,R01AD12_R03BA09_,1,4.93,1,4.13,4.13,13.61,None,538.58,7,6,1,1,37,NEUTRAL,538.58,538.1637,1,1,93.81,0.54,N,4,FALSE,FALSE,TRUE,0,FALSE,0,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF,Trelegy ellipta_Allermist_Fluticasone furoate_GSK-685968_Furamist_Avamys_Ennhale_GSK685968_GSK 685 698_GW-685698X_Arnuity ellipta_Relvar ellipta_Veramyst_Flonase sensimist allergy relief_GW685698X_,,,,,,,,
CHEMBL1677,,2,2.7,2,1.25,2.63,None,8.95,234.73,2,2,1,2,15,BASE,198.27,198.1157,0,0,38.91,0.71,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,Cl.Nc1c2c(nc3ccccc13)CCCC2,Tacrine hydrochloride_CI-970_NSC-72108_Tacrine hcl_Cognex_Alzyme_,,,,,,,,
CHEMBL1678,,0,4.36,2,3.04,4.21,None,8.54,415.96,4,4,0,0,28,BASE,379.5,379.2147,0,0,38.77,0.75,N,6,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl,Aricept_E2020_NSC-737535_NSC-758882_Aricept odt_E-2020_Aricept evess_Donepezil hcl_Donepezil hydrochloride_BNAG_,,,,,,,,
CHEMBL483321,,2,4.95,4,3.76,3.77,None,5.19,469.55,7,8,2,2,35,NEUTRAL,469.55,469.2114,0,0,98.26,0.36,N,9,FALSE,FALSE,FALSE,0,FALSE,0,COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1,CP-724714_Cp-724714_CP-724,714_,,,,,,,
CHEMBL507674,J01DD12_,1,-1.11,2,-4.35,-0.9,3.19,None,645.68,13,17,4,4,44,ACID,645.68,645.1424,2,2,220.26,0.14,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O,Peracef_Cefoperazone_,,,,,,,,
CHEMBL525076,J05AX07_,1,None,None,None,None,None,None,4491.94,None,None,None,None,None,NA,4491.94,4489.1866,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,Enfuvirtide_Fuzeon_Fuzeon T-20_T20_DP-178_T-20_Pentafuside (trivial name)_DP178_,,,,,,,,
CHEMBL445813,,2,2.45,2,-0.2,1.96,10.8,9.99,382.25,4,7,4,4,25,BASE,382.25,381.0759,0,0,98.91,0.65,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl,AT 7519_Cdki at7519_At-7519_AT-7519_AT7519_,,,,,,,,
CHEMBL1680,H01CB02_,1,None,None,None,None,None,None,1019.26,None,None,None,None,None,NA,1019.26,1018.4405,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O,Sandostatin_SMS-201-995_Octreotide_SMS 201-995_SMS-995_SMS995_,,,,,,,,
CHEMBL1683,D07AB02_,1,3.13,0,2.86,2.86,13.75,None,432.56,6,6,2,2,31,NEUTRAL,432.56,432.2512,0,0,100.9,0.65,N,5,FALSE,FALSE,TRUE,1,FALSE,0,CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,Locoid crelo_Locoid c_Hydrocortisone-17-butyrate_Hydrocortisone butyrate_NSC-758433_Hydrocortisone 17-butyrate_Cortisol 17-butyrate_Locoid lipocream_Locoid_,,,,,,,,
CHEMBL514446,,1,4.07,0,0.71,3.64,4.35,None,402.53,4,5,1,1,29,ACID,402.53,402.2406,0,0,88.51,0.77,N,4,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,NSC-8796_Dilabil_Decholin_Procholon_Dehydrocholic acid_,,,,,,,,
CHEMBL457748,,1,8.08,3,8.04,8.04,10.62,None,514.99,5,5,1,1,35,NEUTRAL,514.99,514.1676,2,2,64.99,0.32,N,7,FALSE,FALSE,FALSE,1,FALSE,0,Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1,Vk-2809_MB07811_Mb07811_VK2809_Mb-07811_,,,,,,,,
CHEMBL514270,,2,3.12,3,1.79,3.04,None,8.72,404.47,6,8,1,1,30,BASE,404.47,404.1961,0,0,75.52,0.72,N,4,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(N2CCc3c(-n4ccc(N5CCNC5=O)n4)cc(C)nc32)c(C)c1,GW876008_Emicerfont_GW-876008X_Gw876008_GW876008X_GW-876008_,,,,,,,,
CHEMBL502182,,1,5.54,4,3.14,3.14,3.86,9.04,653.58,7,8,2,2,45,ZWITTERION,631.6,631.2106,2,2,102.56,0.16,N,12,TRUE,FALSE,FALSE,0,FALSE,0,COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)[O-])c3ccccc3)c2=O)c1F.[Na+],Elagolix sodium_Elagolix sodium salt_Orilissa_NBI-56418-NA_Orlissa_NBI-56418 NA_,,,,,,,,
CHEMBL1684,C03AA01_,0,1.63,2,1.69,1.7,9.04,None,421.42,5,7,3,4,27,NEUTRAL,421.42,421.0378,0,0,118.36,0.7,N,3,TRUE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,Benzydroflumethiazide_Urizide_Bendroflumethiazide_NSC-758229_Naturetin-2.5_Naturetin_Neo-bendromax 2.5_Neo-naclex_Neo-bendromax 5_Bendrofluazide_Naturetin-5_Naturetin-10_Centyl_Aprinox_Berkozide_,,,,,,,,
CHEMBL456237,,2,6.7,4,6.84,6.84,None,0.51,422.78,2,2,0,0,29,NEUTRAL,422.78,422.0609,1,1,17.82,0.34,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1,Way252623_Lx-623_Lxr-623_WAY-252623_Lx623_,,,,,,,,
CHEMBL503160,D05AX01_,2,-0.29,0,-6.51,-0.04,3.35,None,116.07,2,4,2,2,8,ACID,116.07,116.011,0,0,74.6,0.49,N,2,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)/C=C/C(=O)O,INS NO.297_2-butenedioic acid, (e)-_Fumaric acid_Fumaric Acid_INS-297_Monosodium fumarate_Allomaleic-acid_E297_Fumaricum acidum_NSC-2752_Boletic-acid_FEMA NO. 2488_E-297_Fumarate_,,,,,,,
CHEMBL508102,H03BB01_,2,1.56,1,1.35,1.35,None,None,186.24,5,4,0,0,12,NA,186.24,186.0463,0,0,36.16,0.62,N,1,FALSE,FALSE,FALSE,0,FALSE,0,CCOC(=O)n1ccn(C)c1=S,Carbimazole_Carbimazol henning_NSC-758966_Neo-mercazole 20_Neo-mercazole 5_Athyromazole_,,,,,,,,
CHEMBL1685,N02AX03_,1,3.11,1,1.31,3.23,10.43,9.67,245.37,2,2,2,3,18,BASE,245.37,245.178,0,0,46.25,0.74,N,0,FALSE,TRUE,FALSE,0,FALSE,0,C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N,WY-16225_Dezocine_Dozocine_WY-16,225_Dalgan_Docozine_,,,,,,,
CHEMBL447955,,1,7.68,2,6.75,6.75,None,2.07,555.53,3,3,0,0,39,NEUTRAL,555.53,555.2008,2,2,29.54,0.35,N,5,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,Serlopitant_VPD-737_Vpd-737_MK-0594_,,,,,,,,
CHEMBL483158,,2,5.75,4,2.74,5.5,4.28,3.01,518.93,7,8,2,2,37,ACID,518.93,518.1157,2,2,105.93,0.33,N,6,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,Mln-8237_MLN-8237_Alisertib_MLN8237_MLN 8237_,,,,,,,,
CHEMBL482767,,2,4.52,4,3.92,4.05,7.38,5.8,430.95,6,7,3,3,28,NEUTRAL,430.95,430.0437,0,0,95.06,0.43,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C(Nc1cccc(Cl)c1)Nc1ncc(CCN=c2[nH]cnc3ccsc23)s1,Sns-314_SNS-314_Sns 314_,,,,,,,,
CHEMBL482967,,2,3.07,3,2.73,2.73,None,4.08,368.47,8,7,2,3,26,NEUTRAL,368.47,368.1419,0,0,89.19,0.73,N,4,FALSE,FALSE,FALSE,0,FALSE,0,Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,Cyc 116_Cyc-116_CYC-116_,,,,,,,,
CHEMBL482968,,2,3.17,3,4.56,4.83,13.07,7.33,375.48,6,7,2,2,28,NEUTRAL,375.48,375.2171,0,0,72.97,0.71,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1,ENMD-2076_Enmd 2076_Enmd-2076_,,,,,,,,
CHEMBL484785,D11AH06_,2,None,None,None,None,None,None,251.05,None,None,None,None,None,NA,251.05,251.0754,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1,AN-2728_Eucrisa_Crisaborole_AN2728_,,,,,,,,
CHEMBL482950,,1,3.33,3,3.37,3.37,None,3.06,340.43,7,7,1,1,25,NEUTRAL,340.43,340.2012,0,0,77.23,0.77,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12,Dpc-a69448_Bms562086_CRF1 ANTAGONIST_BMS-562086_Pexacerfont_,,,,,,,,
CHEMBL451887,L01XG02_,1,2.58,2,4.2,4.2,11.91,4.96,719.92,8,12,4,4,52,NEUTRAL,719.92,719.4258,2,1,158.47,0.15,N,20,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,Kyprolis_NSC-758252_Carfilzomib_PR-171_,,,,,,,,
CHEMBL519504,,1,5.13,4,1.79,4.76,4.3,0.93,437.52,6,6,1,1,31,ACID,437.52,437.1297,1,1,81.79,0.39,N,9,FALSE,FALSE,FALSE,0,FALSE,0,CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,R1439_R-1439_RO0728804_Ro-0728804_Aleglitazar_RO-0728804_,,,,,,,,
CHEMBL502835,L01EX09_,2,3.62,3,2.57,2.79,10.86,7.23,539.64,7,9,2,2,40,NEUTRAL,539.64,539.2533,1,1,94.22,0.35,N,7,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1,BIBF1120_Bibf-1120_BIBF-1120_Ofev_Intedanib_Nintedanib_BIBF 1120_Vargatef_,,,,,,,,
CHEMBL1689,,2,1.23,1,-1.08,1.2,None,10.25,196.68,2,2,1,1,12,BASE,160.22,160.1,0,0,24.39,0.69,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,Cl.c1ccc(CC2=NCCN2)cc1,Priscoline_Priscol_Tolazoline hcl_Benzidazol_NSC-757353_Tolazoline hydrochloride_TCMDC-125842_Benzazoline hydrochloride_Tolazoline HCl_,,,,,,,,
CHEMBL1690,,0,3.78,2,0.33,2.89,None,9.76,433.96,4,4,2,2,23,BASE,335.88,335.1764,0,0,48.39,0.73,N,9,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O,NSC-4375_Ercoquin_Hydroxychloroquine sulfate_Oxichlorochine_Quinoric_Hydroxychloroquine Sulfate_Oxichlorochine sulfate_Oxiklorin_Plaquenil_TCMDC-123987_Hydroxychloroquine sulphate_Quensyl_,,,,,,,,
CHEMBL588046,,1,3.17,2,0.86,2.51,13.89,9.05,360.89,4,4,1,1,24,BASE,324.42,324.1838,0,0,45.59,0.88,N,4,FALSE,FALSE,FALSE,0,FALSE,0,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl,Anhydrous quinine hydrochloride_Quinine monohydrochloride_FEMA NO. 2976, DIHYDRATE-_Quinine hcl_Chininum muriaticum_Quinine hydrochloride dihydrate_FEMA NO. 2976_Quinine hydrochloride_Quinine hydrochloride anhydrous_Quinine muriate_Quinini hydrochloridum_Quinine hydrochloride hydrate_,,,,,,,
CHEMBL535650,,0,4.45,2,2.07,4.11,13.79,9.46,414.78,3,3,2,2,26,BASE,378.32,378.1167,0,0,45.15,0.76,N,2,TRUE,FALSE,FALSE,0,FALSE,1,Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,Mefloquine hcl_NSC-157387_RO-21-5998_Fansimef_RO 21-5998/001_RO-215998001_WR-142490_Mefloquini hydrochloridum_Loriam_Lariam_Mefloquine hydrochloride_,,,,,,,,
CHEMBL1691,,0,2.39,1,0.31,2.54,None,9.67,343.9,4,4,2,2,22,BASE,307.43,307.2147,0,0,50.72,0.62,N,11,TRUE,FALSE,TRUE,0,FALSE,0,CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.Cl,Betaxolol_Betoptic s_NSC-760048_SL 75.212-10_ALO-1401-02_ALO-140102_Betaxolol hcl_SL-7521210_SL-75212-10_SL-75.212-10_Kerlone_ALO 1401-02_Betaxolol hydrochloride_Betoptic_,,,,,,,,
CHEMBL542541,,2,0.92,2,-0.73,0.75,None,8.88,196.64,4,4,2,3,12,BASE,160.18,160.0749,0,0,63.83,0.48,N,1,TRUE,TRUE,FALSE,0,FALSE,0,Cl.NNc1nncc2ccccc12,Hydralazini hydrochloridum_MC-1101_Hydralazine hydrochloride_Apressinum_Apresoline_NSC-89394_Dralzine_Hydralazine hcl_,,,,,,,,
CHEMBL544665,,2,3.2,1,2.12,4.06,None,9.38,343.94,3,3,3,4,22,BASE,307.48,307.2511,0,0,66.48,0.52,N,12,TRUE,FALSE,FALSE,1,FALSE,0,CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl,FTY-720 HYDROCHLORIDE_Fingolimod hydrochloride_FTY720_Gilenya_Gilenia_Fingolimod_Fingolimod hcl_Fingolimod (as hydrochloride)_Fingolimod hydrochlorid_FTY720 HYDROCHLORIDE_,,,,,,,,
CHEMBL544428,,0,3.08,2,3.71,3.83,None,6.92,300.83,2,2,0,0,20,NEUTRAL,264.37,264.1626,0,0,6.48,0.72,N,0,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl,Tetramide_ORG GB 94_ORG-GB 94_Mianserin hcl_NSC-759590_Bolvidon_Mianserin hydrochloride_Norval_,,,,,,,,
CHEMBL1692,,2,3.88,2,2.48,4.28,None,9.2,316.88,2,2,0,0,21,BASE,280.42,280.1939,0,0,6.48,0.84,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,Sarimp_Imipramine HCl_Praminil_Pryleugan_Imizine_Presamine_Imidobenzyle_Tofranil_NSC-114900_Imipramine hcl_Janimine_Imipramine hydrochloride rs_Imipramini hydrochloridum_Pramine_Imipramine hydrochloride_G-22355_,,,,,,,,
CHEMBL1693,,0,2.6,1,2.38,2.7,None,7.44,241.76,2,2,0,0,15,NEUTRAL,205.3,205.1467,0,0,20.31,0.69,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(C)C(=O)c1ccccc1.Cl,Tenuate_Tepanil ten-tab_D03801_Diethylpropion hydrochloride civ_Tenuate dospan_Anorex_Apisate_Diethylpropion hydrochloride_Dobesin_Moderatan_Diethylpropion HCl_Diethylpropion hcl_Prefamone_Amfepramone hydrochloride_Regenon_Tepanil_,,,,,,,,
CHEMBL1694,,1,2.57,2,0.07,1.54,3.53,5.36,460.96,5,7,2,2,31,ACID,424.5,424.1998,0,0,95.94,0.6,N,9,TRUE,FALSE,FALSE,1,FALSE,1,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl,CGS-14824A HCL_Lotensin_CGS-14824A_CGS 14824A HCL_Cibacen_NSC-758920_Benazepril hydrochloride_Benazepril hcl_,,,,,,,,
CHEMBL1695,,1,5.04,2,2.6,2.6,4.14,9.26,412.02,4,3,1,1,25,ZWITTERION,375.56,375.1327,1,1,40.54,0.77,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl,Abbott-70569_ABBOTT-70569 HYDROCHLORIDE_ABBOTT-70569.1_ABBOTT-70569.HCL_NO-050328_Tiagabine hydrochloride_Tiagabine hcl_ABBOTT-705691_NNC-050328_ABT-569_NNC-05-0328_Gabitril_Abbott-70569.1_NO-05-0328_,,,,,,,,
CHEMBL1696,,2,3.53,2,1.37,3.9,None,10.02,302.85,2,2,1,1,20,BASE,266.39,266.1783,0,0,15.27,0.85,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CNCCCN1c2ccccc2CCc2ccccc21.Cl,EX-4355_DMI_RMI-9384A_JB-8181_RMI 9,384A_Desipramine hydrochloride_G-35020_NSC-114901_18-8181_EX 4355_Norpramin_Pertofrane_Pertofran_Desipramine hcl_,,,,,,,
CHEMBL545437,,1,3.46,2,1.63,3.89,None,9.7,440.37,5,5,2,2,28,BASE,403.91,403.155,0,0,67.79,0.66,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2.Cl,SR-58611A_Sr-58611a_Amibegron hydrochloride_SR58611A_Amibegron hcl_,,,,,,,,
CHEMBL1697,,1,3.37,2,1.89,2.73,12.86,8.18,450.99,6,6,0,0,29,NEUTRAL,414.53,414.1613,0,0,59.08,0.68,N,6,TRUE,TRUE,FALSE,0,FALSE,0,COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl,Optil xl 240_Horizem sr 120_Dilacor_Slozem 180_Anoheal_Optil xl 300_Angiozem 60_Cardizem_Tiazac_Angiozem cr 90_Cartia xt_Tildiem la 200_Britiazim_Adizem-xl_Disogram sr_Adizem_Optil_Cardizem sr_Dilcardia xl_Tildiem_Altiazem_NSC-759576_Cartia_Zilden_Tiamex_Uard 300xl_Zemtard 240 xl_Kenzem sr_Slozem_Adizem-60_Kentiazem_Dilzene_Zildil sr_Zemtard 180 xl_Diladel_Uard 180xl_Dilacor xr_Zemtard 120 xl_Angitil sr 120_Cardizem cd_Zemret 180 xl_Angitil sr 180_CRD-401_Uard 120xl_Dilzem sr 90_Diltiazem hydrochloride_Angitil xl 240_Zemtard 300 xl_Bi-carzem xl_Horizem sr 90_Taztia xt_Optil sr 90_Dilpral_Retalzem 60_Viazem xl_Zemret 300 xl_Dilzem_Dilcardia sr_Dilzem sr 120_Angitil xl 300_Dilt-cd_Angiozem cr 120_Slozem 240_Diltiazem hcl_Zemret 240 xl_Calazem_Tildiem ret 90_Masdil_Dilrene_Diltzac_Dilzem xl 180_Uard 240xl_Taztia_Calcicard cr_Horizem sr 60_Bi-carzem sr_Optil sr 120_Deltazen_Dilzem xl 120_Optil sr 180_RG 83606_Cardizem la_Tildiem la 300_Adizem-sr_Dilzem xl 240_Slozem 120_Angitil sr 90_Dilzem sr 60_Calcicard_Tildiem ret 120_RG-83606_,,,,,,,,
CHEMBL1698,,0,3.3,1,2.39,3.27,None,8.22,276.21,2,2,1,1,16,NEUTRAL,239.75,239.1077,0,0,29.1,0.82,N,3,TRUE,FALSE,FALSE,0,FALSE,1,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,BW-323_Mysimba_Bupropion hcl_Amfebutamone hydrochloride_Wellbutrin sr_Bupropion HCl_Bupropion hydrochloride_BW 323_Wellbutrin_Wellbutrin xl_Wellbutrin 75_Forfivo xl_Wellbutrin 100_Zyban_NSC-315851_,,,,,,,,
CHEMBL1699,,0,2.69,0,-0.78,2.07,None,10.7,215.77,1,1,1,2,13,BASE,179.31,179.1674,0,0,26.02,0.61,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl,Memantine_Memantine lek_Valios_Memary_Namenda xr_Nemdatine_Memantine accord_SUN-Y7017_Balaxur_Akatinol_Memantine hcl_Ebixa_Memantine mylan_FP-01_Marixino_Memantine ratiopharm_NSC-102290_Memantine hydrochloride_Memantine merz_Auxura_Namenda_Acrescent_,,,,,,,,
CHEMBL1700,,0,1.09,1,-2.12,-0.4,10.07,9.43,308.83,4,5,3,3,18,BASE,272.37,272.1195,0,0,78.43,0.72,N,6,TRUE,TRUE,FALSE,0,FALSE,1,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl,NSC-337251_Sotalex_DL-MJ-1999_Sotylize_MJ 1999_Sotalol hcl_Beta-cardone_Betapace af_Betapace_NSC-760358_MJ-1999_Sotalol hydrochloride_Sotacor_Sorine_Darob_,,,,,,,,
CHEMBL552659,,2,5.39,3,5.94,6.17,None,7.22,477.43,2,2,0,0,30,NEUTRAL,404.5,404.2064,1,1,6.48,0.54,N,6,FALSE,FALSE,FALSE,0,FALSE,0,Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,Flunarizine (as hydrochloride)_Flunarizine dihydrochloride_NSC-757807_Flunarizine dihydroch_R-14950_Flunarizine hcl_Sibelium_Migarid-10_R 14,950_Flunarizine hydrochloride_Flurizin_,,,,,,,
CHEMBL1701,,2,2.21,1,1.63,2.46,None,8.16,283.8,3,3,0,0,18,NEUTRAL,247.34,247.1572,0,0,29.54,0.77,Y,3,TRUE,TRUE,FALSE,0,FALSE,1,CCOC(=O)C1(c2ccccc2)CCN(C)CC1.Cl,NSC-400479_Meperidine hydrochloride cii_Pethidine hydrochloride_Pamergan_Pethidini hydrochloridum_Meperidine hcl_Meperidine hydrochloride_Meperidine hydrochloride preservative free_Spasmodlin_Pethilorfan_NIH 10522_Demerol_Pethidine_,,,,,,,,
CHEMBL545315,,2,4.39,3,3.79,3.9,12.54,6.87,558.87,7,8,2,2,34,NEUTRAL,485.95,485.163,0,0,88.61,0.34,N,9,FALSE,FALSE,FALSE,0,FALSE,0,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1.Cl.Cl,PD-0183805-002B_CI-1033_PD-183805_Canertinib dihydrochloride_Canertinib hydrochloride_PD-0183805_SN-26606_,,,,,,,,
CHEMBL1702,,1,3.72,2,1.46,3.81,None,9.8,291.82,2,2,1,1,19,BASE,255.36,255.1623,0,0,21.26,0.85,N,6,TRUE,FALSE,FALSE,0,FALSE,1,CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl,Tomoxetine hydrochloride_NSC-759104_Tomoxetine_Atomoxetine hydrochloride_Atomoxetine (as hydrochloride)_Atomoxetine hcl_Strattera_LY-139603_,,,,,,,,
CHEMBL1703,,2,-1.03,0,-5.62,-0.92,None,12.33,165.63,2,5,4,5,9,BASE,129.17,129.1014,0,0,88.99,0.25,N,0,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)C(=N)N=C(N)N.Cl,NSC-91485_Milform_EX404_Walaphage_Diabex_Diabefagos_Diagemet xl_Glumetza_Glucamet 500_Orabet_Bolamyn sr_Benofomin_Glucophage sr_Ledermetin_Glucaminol_Fortamet_Riomet er_Siamformet_Sukkarto sr_LA-6023_Metformin hcl_Glucophage_Metabet sr_Metformin hydrochloride_Glyformin_Apophage_EX-404_Glucophage xr_Metsol_Riomet_Glucamet 850_Janumet_Glucient sr_Neodipa_,,,,,,,,
CHEMBL1705,,2,2.17,1,0.73,2.04,None,9.34,266.56,1,3,2,2,14,BASE,230.1,229.0174,0,0,36.42,0.78,Y,1,TRUE,TRUE,FALSE,0,FALSE,1,Cl.Clc1cccc(Cl)c1NC1=NCCN1,Catapres p.l._NSC-756699_Clonidine hydrochloride_Jenloga_Clonidine hcl_Duraclon_ST-155_Kapvay_Catapres_Catapres tts 2_Catapres tts 1_Catapres tts 3_Dichloranilino imidazolin_Dixarit_,,,,,,,,
CHEMBL1706,,2,2.38,2,-0.07,2.19,None,10.19,246.74,2,2,1,1,16,BASE,210.28,210.1157,0,0,24.39,0.81,Y,2,FALSE,FALSE,TRUE,0,FALSE,0,Cl.c1ccc2c(CC3=NCCN3)cccc2c1,Naphcon_Vasocon_Albalon_Antistin-privine_Nafazair_Naphazoline HCl_Naphaz hcl_NSC-35711_Opcon_Naphazoline hcl_Naphazoline hydrochloride_Naphcon forte_Naphazoline nitrate_Gppe nsl soln_,,,,,,,,
CHEMBL1707,,2,5.09,3,2.77,4.77,13.96,9.41,513.51,3,4,1,1,34,BASE,477.05,476.2231,1,1,43.78,0.52,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl,R-18553_R 18,553_Imodium instant melts_Imodium instants_Imodium_Diah-limit_Diarrhoea relief_Lodiar_Imodium ibs relief_Loperagen_Norimode_Loperamide hcl_Diocaps_Imodium a-d_Imodium classic_Diocalm_Loperamidi hydrochloridum_Diareze_Dioraleze_Arret_NSC-696356_Diaquitte_Gppe pack_Imodium a-d ez chews_Normaloe_Entrocalm_Imodium liquicaps_Diasorb_Loperamide hydrochloride_Imodium Advanced_,,,,,,,
CHEMBL559180,,0,2.87,2,1.32,2.56,9.65,9,337.85,4,4,3,3,22,BASE,301.39,301.1678,0,0,61.72,0.74,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,Isoxsuprine hydrochloride_Isoxsuprine hcl_Duvadilan ret_Dilavase_Vasotran_Vadosilan_Suprilent_Vasodilan_Defencin_Navilox_NSC-757067_Duvadilan_Duviculine_,,,,,,,,
CHEMBL1708,,1,3.33,2,0.83,3.15,None,9.77,365.83,4,4,1,1,24,BASE,329.37,329.1427,0,0,39.72,0.93,N,4,TRUE,FALSE,FALSE,0,FALSE,1,Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,Seroxat_Paroxetine hydrochloride_Paroxetine hydrochloride anhydrous_NSC-758654_Paroxetine HCl_Paxil cr_Paxil_,,,,,,,,
CHEMBL1709,,1,5.18,2,3.02,5.15,None,9.56,342.7,1,1,1,1,20,BASE,306.24,305.0738,1,1,12.03,0.81,N,2,TRUE,FALSE,FALSE,0,FALSE,1,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl,CP-51974-1_Aremis_Zoloft_NSC-758948_Besitron_Sertraline hcl_Sertraline hydrochloride_CP-51,974-1_NSC-746308_Sertraline (as hydrochloride)_Lustral_,,,,,,,
CHEMBL535396,,0,2.55,0,-0.35,2.22,None,10.14,215.77,1,1,1,2,13,BASE,179.31,179.1674,0,0,26.02,0.66,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,CC(N)C12CC3CC(CC(C3)C1)C2.Cl,EXP-126_NSC-206764_EXP 126_Rimantadine hcl_Rimantadine hydrochloride_Meradan_Roflual_Flumadine_,,,,,,,,
CHEMBL537669,,1,2.65,2,1.88,2.1,None,7.22,390.91,4,5,2,2,26,NEUTRAL,354.45,354.1943,0,0,65.56,0.77,N,1,FALSE,FALSE,FALSE,0,FALSE,0,COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl,Yohimbine hcl_Prowess plain_NSC-19509_Yocon_Yohimbine hydrochloride_,,,,,,,,
CHEMBL1711,,0,1.13,1,-0.99,0.24,9.81,8.96,247.72,4,4,4,4,15,BASE,211.26,211.1208,0,0,72.72,0.56,N,4,FALSE,TRUE,TRUE,0,FALSE,0,CC(C)NCC(O)c1ccc(O)c(O)c1.Cl,Isopropylarterenol hydrochloride_Aerotrol_Oriconazole_Mistarel_Isoproterenol hydrochloride_Isoprenaline_Suscardia_Isomenyl_Vapo-iso_Isuprel_Isoproterenol HCl_Norisodrine aerotrol_Euspiran_Imuprel_NSC-89747_Isoprenaline hydrochloride_Medihaler-Iso_Isovon_Dl-isoprenaline hydrochloride_NSC-37745_Norisodrine_Aerolone_L-isoprenaline hydrochloride_Isoprenaline hydrochloride, dl-_Isoproterenol hcl_,,,,,,,
CHEMBL1713,,2,4.89,2,2.74,4.54,None,9.2,355.33,3,2,0,0,21,BASE,318.87,318.0957,0,0,6.48,0.79,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl,Thorazine_Promapar_Chloractil_Chlorazine_Marazine_Sonazine_Rimazine_Klorproman_Chlorpromazine hydrochloride_Nci-c05210_Chlorpromazini hydrochloridum_Chlorpromazine HCl_Chlorpromazine hydrochloride intensol_NSC-17479_Norcozine_Chlorpromazine hcl_Largactil_Largactil fte_,,,,,,,,
CHEMBL556578,,1,1.2,1,-0.6,0.9,10.26,9.12,321.8,4,4,2,2,21,BASE,285.34,285.1365,0,0,52.93,0.7,N,0,FALSE,FALSE,FALSE,0,FALSE,0,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.Cl,Morphine hydrochloride_Thebametten_Morph hcl_Morphine chlorhydrate_Morphini hydrochloridum_Epimore_Morphine Hydro Chloride_Morphine hcl_Vendal_Morphinum muriaticum_Morphine hydrochloride hydrate_Morphine hydrochloride trihydrate_(-)-morphine hydrochloride_,,,,,,,,
CHEMBL1714,,0,2.9,1,3.15,3.35,None,7.16,274.19,2,2,1,1,16,NEUTRAL,237.73,237.092,0,0,29.1,0.86,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,CNC1(c2ccccc2Cl)CCCCC1=O.Cl,CN-52372-2_Ketanest_Ketalar_Anaket-V_Ketamine hydrochloride ciii_Vetalar_CI-581_Ketamine hcl_CN-52,372-2_CL 369_Ketamine (as hydrochloride)_Ketamine hydrochloride_CL-369_Ketamini hydrochloridum_Ketavet_Special k_CN-523722_,,,,,,,
CHEMBL1715,,0,3.16,2,2.74,3.33,6.66,5.6,392.91,5,5,1,1,25,NEUTRAL,356.45,356.1195,0,0,68.29,0.83,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl,U-72107A_Pioglitazone (as hydrochloride)_Actos_Pioglitazone hcl_Glizofar_Pioglitazone hydrochloride_Diabiom_Glidipion_NSC-758876_Piomed_STR-001_,,,,,,,,
CHEMBL1716,,2,4.7,2,3.65,4.38,None,8.05,323.87,1,1,0,0,22,NEUTRAL,287.41,287.1674,0,0,3.24,0.58,N,0,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl,Cyproheptadine hydrochloride sesquihydrate_NSC-169911_Cyproheptadine HCl_Periactine_NSC-759282_Periactin_Peritol_Cyproheptadine hcl_Cyproheptadine Hydrocloride_Cyproheptadine hydrochloride_Cyproheptadine hydrochloride hydrate_,,,,,,,,
CHEMBL1717,,2,3.96,2,4.07,4.2,None,6.94,300.25,2,1,0,0,17,NEUTRAL,263.79,263.0535,0,0,3.24,0.79,N,2,TRUE,FALSE,FALSE,1,FALSE,1,Cl.Clc1ccccc1CN1CCc2sccc2C1,53-32C_4-C-32_Ipaton_Ticlopidine hydrochloride_Ticlid_Ticlopidine hcl_Tiklid_NSC-759165_,,,,,,,,
CHEMBL1718,,1,1.3,1,1.04,1.62,10.07,7.84,363.84,5,5,2,2,24,NEUTRAL,327.38,327.1471,0,0,70,0.8,N,2,TRUE,TRUE,TRUE,0,FALSE,0,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl,Evzio_Narcan_NIH 7890_Kloxxado_EN-15304_Anhydrous naloxone hydrochloride_Prenoxad_Narconil_Naloxone hydrochloride anhydrous_Evzio (autoinjector)_Narcanti_Narcan neonatal_Nalone_Naloxone hcl_Naloxone hydrochloride_Naloxone_NSC-757109_,,,,,,,,
CHEMBL539770,,0,4.99,2,2.23,5.16,None,10.62,317.9,1,1,1,1,21,BASE,281.44,281.2143,0,0,12.03,0.81,N,5,FALSE,FALSE,FALSE,0,TRUE,0,CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C.Cl,Micturin 25_Micturin 12.5_Terodiline hydrochloride_,,,,,,,,
CHEMBL1719,,2,3.59,2,0.75,0.75,3.78,9.76,373.88,3,4,1,1,25,ZWITTERION,337.42,337.1678,0,0,49.77,0.91,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,Olopatadine hcl_Allelock_ALO-4943A_ALO4943A_Pataday once daily relief_KW4679_Olopatadine (as hydrochloride)_Pazeo_KW-4679_Olopatadine hydrochloride_Pataday twice daily relief_Patanase_Pataday_Patanol_,,,,,,,,
CHEMBL1720,,1,2.66,1,1.87,2.55,None,7.97,332.88,2,3,0,0,22,NEUTRAL,296.41,296.1889,0,0,23.55,0.8,Y,1,TRUE,TRUE,FALSE,0,FALSE,0,Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2,Palonocetron hydrochloride_Palonosetron hcl_Palonosetron hydrochloride_Aloxi_RS-25259-197_Palonosetron (as hydrochloride)_,,,,,,,,
CHEMBL539843,,2,1.21,2,-1.67,0.81,13.89,9.96,369.3,4,5,2,3,22,BASE,296.37,296.1637,0,0,72.94,0.83,N,1,FALSE,FALSE,FALSE,0,FALSE,0,Cl.Cl.NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1,R-129160_Vapitadine dihydrochloride_Hivenyl_R129160_,,,,,,,,
CHEMBL1722,,0,2.09,1,0.57,2.25,None,9.09,269.77,3,3,1,1,17,BASE,233.31,233.1416,0,0,38.33,0.81,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,COC(=O)C(c1ccccc1)C1CCCCN1.Cl,Methylphenidate HCl_Metadate er_Aptensio_Methylin er_Medikinet xl_Methylphenidate hydrochloride cii_Foquest_Methylphenidate hydrochloride_SPD544_Oros mph_Ritalin sr_Equasym xl_Quillichew er_Metadate_Concerta_Ritalin_Ritalin la_NSC-169868_Xenidate xl_Methylphenidate hcl_Jornay pm_Methylin_Quillichew_Metadate cd_Equasym_Tranquilyn_Matoride xl_Ritalin-sr_Delmosart_SPD-544_Quillivant_Medikinet_Quillivant xr_Adhansia xr_Aptensio xr_,,,,,,,,
CHEMBL1723,,0,1.35,2,0.94,1.19,None,7.3,425.92,8,9,2,3,28,NEUTRAL,389.46,389.2063,0,0,111.83,0.65,N,8,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl,Xatral_Kelanu xl_SL-77-499-10_Urion s_Benestan_Besavar xl_Alfuzosin hcl_Alfuzosin hydrochloride_Alfutral sr_SL 77 499-10_SL-77499-10_Uroxatral_Fuzatal xl_Vasran xl_Xatral sr_Benestan ret_Zufal xl_,,,,,,,,
CHEMBL1724,,0,2.7,2,-0.97,-0.97,11.05,None,420.35,3,4,1,1,25,NEUTRAL,340.44,340.1907,0,0,46.53,0.69,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],Mepenzolone bromide_FT-0671006_Mepenzolate Bromide_Cantil_NSC-4358_Mepenzolate methylbromide_HY-17585_Mepenzolate_Glycophenylate_AN-6437_Mepenzolate bromide_,,,,,,,,
CHEMBL538867,,1,5.03,0,1.18,3.57,11.58,9.99,504.78,4,5,2,2,35,BASE,504.78,504.3386,2,2,67.43,0.52,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,IP-9_Ipi-926_IP9 FREE BASE_IPI-926_IPI-926 FREE BASE_FIN-5_Patidegib_IPI 926_Saridegib_,,,,,,,,
CHEMBL1726,C08CA07_,0,3.2,1,3.06,3.06,None,None,388.42,7,8,1,1,28,NEUTRAL,388.42,388.1634,0,0,107.77,0.45,N,6,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],BAY K 5552_Syscor mr 30_BAY-K-5552_Nisoldipin_Syscor mr 10_Nisoldipine_Geomatrix 16e_Sular_Baymycard_Nisoldipine (stn)_NSC-759106_Syscor mr 20_,,,,,,,,
CHEMBL559478,,2,2.73,1,1.67,2.32,None,7.94,325.21,3,4,0,0,19,NEUTRAL,325.21,324.0473,0,0,32.78,0.8,N,1,FALSE,FALSE,FALSE,0,FALSE,0,O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2,J2.849.107G_SSR-180711_Ssr180711_SSR-180,711_SSR180711C_,,,,,,,
CHEMBL1727,,1,0.44,1,-2.5,-2.14,3.26,7.23,347.4,5,7,3,4,24,ACID,347.4,347.094,0,0,112.73,0.68,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1,66873_Cefalexin_Cephalexin_Keflex_Keflet_Keftab_,,,,,,,,
CHEMBL562668,,2,4.22,4,2.85,4.42,None,8.97,510.43,7,8,2,3,35,BASE,510.43,509.1498,1,1,101.96,0.4,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,Otenabant hydrochloride_Cp-945598_CP-945598_CP-945598-01_CP-945,598_Otenabant_,,,,,,,
CHEMBL561132,,1,3.04,3,0.08,3.24,4,None,416.47,4,6,1,1,29,ACID,416.47,416.1206,0,0,79.61,0.69,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1,MK-7246_,,,,,,,,
CHEMBL1728,,0,1.8,2,-0.42,-0.42,5.45,8.7,387.81,5,6,2,2,25,ZWITTERION,351.35,351.1394,0,0,74.57,0.88,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl,Maxaquin_Lomefloxacin hydrochloride_Lomefloxacin hcl_Lomefloxacin (as hydrochloride)_SC-47111_NSC-758168_Lomefloxacin monohydrochloride_NY-198_,,,,,,,,
CHEMBL1729,A03FA02_,0,3.36,2,1.59,2.49,None,8.24,465.95,6,7,2,3,32,NEUTRAL,465.95,465.1831,0,0,86.05,0.44,N,9,TRUE,FALSE,FALSE,0,TRUE,1,COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,Cisapride_Prepulsid quicklet_Propulsid_R-51,619_Cisapride monohydrate_R-51619_Prepulsid_Propulsid quicksolv_Alimix_,,,,,,,
CHEMBL1730,J01DD01_,1,-0.62,1,-4.2,-1.49,2.73,3.58,455.47,11,12,3,4,30,ACID,455.47,455.0569,1,1,173.51,0.21,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1,Cefotaxime_Cefotaxim hikma_,,,,,,,,
CHEMBL1731,J01CA10_,1,-0.23,1,-4.22,-0.84,3.49,None,539.59,8,13,3,3,36,ACID,539.59,539.1145,2,1,173.5,0.41,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,Mezlocillin_Multocillin_Baypen_BAY-F-1353_,,,,,,,,
CHEMBL1732,N02CA01_N02CA51_,1,2.08,3,1.84,2.71,9.69,8.39,583.69,6,10,3,3,43,NEUTRAL,583.69,583.2795,1,1,118.21,0.43,N,4,FALSE,TRUE,TRUE,0,FALSE,1,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,MAP-0004_Dihydroergotamine_Neomigran_MAP0004_9,10-dihydroergotamine_,,,,,,,
CHEMBL560993,,2,4.31,4,1.17,3.64,4.45,3.84,348.38,3,4,1,1,26,ACID,348.38,348.1274,0,0,55.12,0.6,N,4,FALSE,FALSE,FALSE,0,FALSE,0,Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O,OC-000459_OC000459_OC459_Timapiprant_Oc-459_Oc000459_,,,,,,,,
CHEMBL564085,J01FA08_,1,3.62,0,3.7,4.3,None,7.87,813.98,16,16,0,0,57,NEUTRAL,813.98,813.4511,2,2,184.19,0.19,N,9,TRUE,FALSE,FALSE,0,FALSE,0,CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,NSC-108166_Triacetyloleandomycin_Oleandomycin triacetate ester_Acetyloleandomycin_Oleandomycin (as troleandomycin)_Troleandomycin_,,,,,,,,
CHEMBL564829,,2,2.57,3,2.45,3.11,13.96,7.96,460.59,8,9,2,2,34,NEUTRAL,460.59,460.2699,0,0,91.21,0.62,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2,Pha-848125_PHA-848125_PHA 848125_Milciclib_,,,,,,,,
CHEMBL553025,L01CA04_,1,4.75,3,2.86,4.65,10.87,8.66,778.95,11,12,2,2,57,BASE,778.95,778.3942,2,2,133.87,0.2,N,7,FALSE,TRUE,FALSE,0,FALSE,1,CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2,NSC-760087_Navelbin_Vinorelbine_Vinorelbine Base_,,,,,,,,
CHEMBL539697,B01AE07_,2,5.6,4,4.59,4.59,None,4.48,627.75,9,12,2,3,46,NEUTRAL,627.75,627.3169,3,2,154.03,0.07,N,15,TRUE,FALSE,FALSE,1,FALSE,1,CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1,Dabigatran etexilate_Dabigatran etexilate methanesulfonate_Pradaxa_BIBR 1048 BS RS1_BIBR-1048_BIBR-1048-BS-RS1_BIBR 1048_,,,,,,,,
CHEMBL1734,G04BD08_,1,3.86,2,2.47,3.96,None,8.88,362.47,3,4,0,0,27,BASE,362.47,362.1994,0,0,32.78,0.81,N,2,TRUE,FALSE,FALSE,0,FALSE,0,O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,Solifenacin_NSC-759144_Vesicare_,,,,,,,,
CHEMBL551064,,1,4.67,4,1.98,3.69,None,9.09,425.54,6,6,1,2,32,BASE,425.54,425.2216,0,0,69.2,0.49,N,6,FALSE,FALSE,FALSE,0,FALSE,0,Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](N2CCC2)C1,NVP-AEW 541_NVP-AEW541_Aew-541_AEW 541_,,,,,,,,
CHEMBL551466,R03BB05_,1,4.67,3,0.46,0.45,10.35,None,564.57,6,5,1,1,33,NEUTRAL,484.66,484.1611,0,0,55.76,0.27,N,9,FALSE,FALSE,TRUE,0,FALSE,0,O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-],Aclidinium bromide_LAS-34273 MICRONIZED_LAS 34273_LAS-34273_LAS W-330_Genuair_14115700_LAS-W-330_LAS 34273 MICRONIZED_Eklira_Tudorza pressair_,,,,,,,,
CHEMBL1735,,1,2.87,3,2.72,2.81,13.01,6.76,711.88,7,9,4,4,45,NEUTRAL,613.8,613.3628,1,1,118.03,0.26,N,11,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.O=S(=O)(O)O,Crixivan_L-735524_Indinavir sulfate ethanolate_Indinavir sulphate_L-735,524_Indinaviri sulfas_MK-639_NSC-697197_Indinavir sulfate_,,,,,,,
CHEMBL550495,V04CG05_V03AB17_,2,2.5,1,-0.62,-0.62,None,3.14,373.91,3,3,0,0,20,NEUTRAL,284.41,284.1216,0,0,19.14,0.51,Y,1,FALSE,TRUE,FALSE,1,FALSE,1,CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.O.O.O.[Cl-],NSC-759135_Trx0014_CI 52015_C.I. 52015_Methylene blue_Methylthionine chloride_C.i. basic blue 9 trihydrate_Methylthioninium chloride_Basic blue 9 trihydrate_NSC-617593_Methylthionine hydrochloride_Provayblue_CI-52015_Urolene blue_NSC-215213_Methylene blue trihydrate_,,,,,,,,
CHEMBL557555,C10AB08_,0,3.59,1,0.31,3.62,3.69,None,289.16,2,3,1,1,18,ACID,289.16,288.032,0,0,46.53,0.86,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,NSC-759617_Ciprofibrate_Modalim_WIN 35833_WIN-35833_,,,,,,,,
CHEMBL538943,,1,4.75,3,2.86,4.65,10.87,8.66,1079.12,11,12,2,2,57,BASE,778.95,778.3942,2,2,133.87,0.2,N,7,FALSE,TRUE,FALSE,0,FALSE,1,CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O,Vinorelbine Ditartarate_Liposomal vinorelbine tartrate_TLC178_Vinorelbine tartrate_Vinorelbine liposomal_Vinorelbine tartrate (1:2)_Navelbine_Vinorelbine (as tartrate)_TLC-178_Vinorelbine ditartrate_,,,,,,,,
CHEMBL1737,,2,1.61,3,1.16,1.23,7.63,5.98,666.71,8,10,1,1,33,NEUTRAL,474.59,474.2049,0,0,113.42,0.55,N,7,TRUE,TRUE,FALSE,0,FALSE,0,CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O,NSC-758669_UK-92480-10_Sildenafil (as citrate)_Viagra_NSC-744009_Revatio_Sildenafil citrate_UK-92,480-10_,,,,,,,
CHEMBL541758,,1,4.05,3,-1.48,-0.5,8.74,8.14,800.25,8,12,2,3,51,NEUTRAL,764.8,763.2806,2,1,144.16,0.26,N,12,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1.[Cl-],Fasitibant chloride_Men16132_,,,,,,,,
CHEMBL550348,V03AC03_,2,3.71,4,1.89,4.74,4.51,None,373.37,6,7,3,3,28,ACID,373.37,373.1063,0,0,108.47,0.5,N,4,TRUE,FALSE,FALSE,0,FALSE,1,O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1,Exjade_ICL-670_Jadenu sprinkle_ICL670A_Deferasirox_ICL670_Osveral_ICL-670A_Jadenu_,,,,,,,,
CHEMBL1739,,1,7.45,4,-1.85,-1.85,12.99,None,906.64,6,8,0,0,48,NEUTRAL,652.83,652.3501,2,2,55.38,0.21,N,4,FALSE,TRUE,FALSE,0,FALSE,0,COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3.[I-].[I-],Dimethyl tubocurarine iodide_NSC-36388_Metubine iodide_Dimethyltubocurarinium iodide_Dimethylchondrocurarine iodide_Metocurine iodide_,,,,,,,,
CHEMBL574737,,1,3.84,5,1.49,3.41,10.8,9.52,482.54,7,8,3,3,36,BASE,482.54,482.1954,0,0,89.68,0.36,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O,UCN-02_NSC-638850_7-hydroxystaurosporine_Ucn-01_Ucn 01_UCN-01_KRX-0601_KW-2401_,,,,,,,,
CHEMBL572881,,2,4.04,3,3.32,3.33,None,5.43,373.46,5,6,3,3,28,NEUTRAL,373.46,373.1903,0,0,78.94,0.63,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,AMG 706_Motesanib_AMG-706_,,,,,,,,
CHEMBL574738,,2,5.11,3,3.77,4.38,11.52,7.87,529.57,7,9,3,3,38,NEUTRAL,529.57,529.2413,2,2,94.65,0.37,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,NVP-AST487_Ast-487_NVP-AST-487_AST-487_,,,,,,,,
CHEMBL558752,,2,6.93,5,5.63,5.86,9.28,7.21,518.42,6,7,2,2,37,NEUTRAL,518.42,518.129,2,2,80.65,0.25,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,Raf 265_Raf-265_RAF265_NVP-RAF265_CHIR-265_,,,,,,,,
CHEMBL1741,J01FA09_,1,2.44,0,2.22,3.24,12.46,8.38,747.96,14,14,4,4,52,NEUTRAL,747.96,747.4769,2,2,182.91,0.27,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,Clarithromycin identity_Klacid_Klaricid 500_Veclam_Clarie xl_Mavid_Klaricid xl_Xetinin xl_Biaxin xl_Biaxin_Erythromycin, 6-o-methyl-_Klaricid i.v._Prevpac_Clarithromycin Extended Release_A-56268_Klaricid paed_6-o-methylerythromycin_Febzin xl_Klaricid_Biaxin Xl Pac_Clarosip_ABBOTT-56268_Klaricid adult_NSC-758704_Macladin_TE-031_Mycifor xl_Cyllind_Zeclar_Clarithromycin_,,,,,,,
CHEMBL575448,,1,3.61,4,4.2,4.2,12.88,4.21,461.51,8,10,3,3,34,NEUTRAL,461.51,461.2088,0,0,116.13,0.38,N,6,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1,Bms-754807_BMS-754807_,,,,,,,,
CHEMBL582857,,1,2.87,3,2.69,2.69,None,3.86,630.12,9,11,1,1,43,NEUTRAL,630.12,629.1599,2,1,125.92,0.4,N,8,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1,SSR-149415_Nelivaptan_SSR149415_Ssr149415_SR-149415_SSR-149,415_,,,,,,,
CHEMBL576982,L01EX11_,2,5.86,5,5.05,4.99,8.28,6.61,560.68,9,10,2,2,40,NEUTRAL,560.68,560.2206,2,2,106.16,0.26,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1,AC-220_Ac-220_ASP-2689_Quizartinib_AC010220_AC-010220_AC220_,,,,,,,,
CHEMBL566534,P01BE02_,1,2.84,0,3.48,3.48,None,None,298.38,5,5,0,0,21,NEUTRAL,298.38,298.178,0,0,46.15,0.7,N,1,TRUE,FALSE,FALSE,1,FALSE,0,CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3,Artemetherum_Artesaph_SM 224_Artemetheri_.beta.-artemether_Dihydroartemisinin impurity g_Gvither_NSC-759820_Falcidol_NSC-665970_Paluther_Malartem_Larither_Artemether_,,,,,,,,
CHEMBL566315,A05AA04_,1,5.11,0,1.79,4.52,4.6,None,420.63,3,4,3,3,30,ACID,420.63,420.324,1,1,77.76,0.58,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O,INT-747_DSP-1747_6-ecdca_Obeticholic acid_6-ethylchenodeoxycholic acid_Ocaliva_,,,,,,,,
CHEMBL571948,,1,2.83,3,-0.09,1.86,None,9.37,280.33,3,5,3,4,21,BASE,280.33,280.1324,0,0,83.8,0.69,N,3,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H](N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,Y-39983_,,,,,,,,
CHEMBL567597,P01BE01_,1,2.39,0,3.11,3.11,None,None,282.34,5,5,0,0,20,NEUTRAL,282.34,282.1467,0,0,53.99,0.5,N,0,TRUE,FALSE,FALSE,1,FALSE,0,C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4,Artemisinin_(+)-Artemisinin_NSC-369397_Artemisininum_GNF-PF-5341_Huanghuahaosu_Artemisin_Qing hau sau_,,,,,,,,
CHEMBL1746,A16AX03_,2,2.09,1,-0.04,2.5,4.81,None,186.19,1,2,1,1,12,ACID,164.2,164.0837,0,0,37.3,0.74,N,4,TRUE,FALSE,FALSE,1,FALSE,0,O=C([O-])CCCc1ccccc1.[Na+],AMX-0035 COMPONENT SODIUM PHENYLBUTYRATE_NSC-657802_Ammonaps_Buphenyl_AMX0035 COMPONENT SODIUM PHENYLBUTYRATE_Pheburane_ACER-001_Sodium phenylbutyrate_Ambutyrate_,,,,,,,,
CHEMBL1747,J01GB01_S01AA12_,1,-6.3,0,-13.16,-6.48,12.53,9.54,467.52,14,14,10,15,32,BASE,467.52,467.2591,2,2,268.17,0.17,N,6,FALSE,TRUE,TRUE,0,FALSE,1,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O,Bramitob_Tobramycin_Aktob_Obramycin_Nebramycin factor 6_47663_Vantobra_Nebcin_Tobradex_Tobradex St_Bethkis_Nebris_Nebramycin_NSC-180514_Nebicin_Nebramycin vi_Tobi podhaler_Tobralex_Kitabis pak_Tobravisc_Tobi_Tymbrineb_Tobrex_,,,,,,,,
CHEMBL577736,S01AA05_R02AB02_D06AX08_,1,None,None,None,None,None,None,1228.46,None,None,None,None,None,NA,1228.46,1227.6328,None,None,None,None,None,None,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O,Bactratycin_Tyrothricin_,,,,,,,,
CHEMBL569713,S01FA02_A04AD01_A04AD51_N05CM05_,1,0.92,1,0.76,0.89,None,6.95,303.36,5,5,1,1,22,NEUTRAL,303.36,303.1471,0,0,62.3,0.66,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,Isoptpo Hyoscine_Transderm scop_Scopolamine_,,,,,,,,
CHEMBL585902,,1,4.64,5,3.11,3.73,None,7.9,461.57,6,6,2,3,35,NEUTRAL,461.57,461.2216,0,0,85.83,0.37,N,7,FALSE,FALSE,FALSE,0,FALSE,0,Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O,AMG-548_Amg-548_,,,,,,,,
CHEMBL571546,D06BX03_,2,3.32,3,3.14,3.21,None,6.63,431.54,5,6,1,1,32,NEUTRAL,431.54,431.2209,0,0,63.69,0.56,N,9,FALSE,FALSE,TRUE,0,FALSE,0,O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1,KX2-391_KX2391_Kx2-391_Klisyri_KX-2391_KX-2-391_Tirbanibulin_KX-01_,,,,,,,,
CHEMBL1749,,2,None,None,None,None,None,None,336.21,None,None,None,None,None,NA,336.21,336.0546,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Na+].[Na+],Disodium Edetate_Edta disodium salt_Edetate Disodium_E386_Sodium Versenate_Edta disodium salt anhydrous_Disodium edetate dihydrate_NSC-2760_Endrate_Sodium Edetate_Disodium edetate hydrate_NSC-759604_,,,,,,,,
CHEMBL1750,L01BB06_,1,-0.35,2,-0.29,-0.29,12.71,2.2,303.68,8,8,3,4,20,NEUTRAL,303.68,303.0534,0,0,119.31,0.65,N,2,FALSE,TRUE,FALSE,1,FALSE,0,Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F,Clofarabine_Clolar_NSC-759857_Evoltra_,,,,,,,,
CHEMBL1751,C01AA05_,1,2.22,0,1.92,2.37,7.15,None,780.95,14,14,6,6,55,NEUTRAL,780.95,780.4296,3,3,203.06,0.16,N,7,TRUE,TRUE,FALSE,0,FALSE,0,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,Digoxin pediatric_Fargoxin_Lanoxicaps_Lanoxin-125_NSC-95100_Toloxin_Natigoxin_Digoxinum_Mapluxin_Lanoxin pediatric_Digoxin_Digamex_Lanoxin_Rougoxin_Stillacor-_Vanoxin_Dynamos_Lanoxin-pg_Lanocardin_,,,,,,,,
CHEMBL1752,R03DA51_R03DA01_,0,-2.21,2,-1.87,-1.87,13.9,None,254.25,8,8,2,2,18,NEUTRAL,254.25,254.1015,0,0,102.28,0.65,N,3,TRUE,TRUE,FALSE,0,FALSE,0,Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,Neothylline_Dilor_Dyphilline_NSC-14305_Dilor-400_Glyphylline_Lufyllin_Dyphylline_Diprophylline_,,,,,,,,
CHEMBL1753,G01AA10_D10AF51_D10AF01_J01FF01_,1,0.39,0,0.65,1.04,12.41,7.55,424.99,7,7,4,4,27,NEUTRAL,424.99,424.1799,0,0,102.26,0.44,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1,Sobelin_U-21,251_Chlorolincomycin_Antirobe_Cleocin_Chlorodeoxylincomycin_7(s)-chloro-7-deoxylincomycin_Clindamycin_Cleocin T_U-21251_,,,,,,,
CHEMBL1754,R07AB01_,0,3.17,2,3.01,3.23,None,7.23,378.52,3,4,0,0,28,NEUTRAL,378.52,378.2307,0,0,32.78,0.77,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O,Doxapram_Docatone_,,,,,,,,
CHEMBL1755,C03XA02_,2,6.51,5,5.41,5.44,13.53,6.23,498.59,3,6,2,2,38,NEUTRAL,498.59,498.2056,1,1,78.09,0.3,N,4,FALSE,TRUE,FALSE,0,FALSE,0,Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2,Conivaptan_,,,,,,,,
CHEMBL1756,,1,5.3,1,1.97,4.98,1.86,None,520.39,4,7,2,2,33,ACID,520.39,519.1344,2,2,96.3,0.37,N,7,TRUE,FALSE,FALSE,1,FALSE,0,C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O,Estramustine 17-(dihydrogen phosphate)_Estramustine phosphate_Ls 299_NSC-89199_Ls-299_Estracyt_,,,,,,,,
CHEMBL1757,J01XX01_,1,-0.09,0,-3.18,-0.74,1.25,None,138.06,2,4,2,2,8,ACID,138.06,138.0082,0,0,70.06,0.39,N,1,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@H]1O[C@@H]1P(=O)(O)O,Fosfocina_Fosfomycin calcium_Fosfomycin_ZTI-01_NSC-758170_Fosfomycin sodium_Fosfomycin calcium hydrate_Monurol_J01XX01_Calcium fosfomycin_Zti-01_,,,,,,,,
CHEMBL567303,,2,3.73,3,2.03,2.66,12.61,7.91,418.54,4,6,3,3,31,NEUTRAL,418.54,418.2369,0,0,77.49,0.57,N,6,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1,Act-058362_Palosuran_,,,,,,,,
CHEMBL565612,,2,2.43,4,2.96,3.27,9.66,7.4,438.49,6,8,2,2,33,NEUTRAL,438.49,438.1804,0,0,94.22,0.48,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,NVP-AEB071_AEB071_Aeb-071_AEB-071_Sotrastaurin_,,,,,,,,
CHEMBL1760,R03CC53_R03AC03_R03CC03_,0,1.52,1,-0.73,0.44,8.86,9.76,225.29,4,4,4,4,16,BASE,225.29,225.1365,0,0,72.72,0.63,N,3,TRUE,TRUE,TRUE,0,FALSE,1,CC(C)(C)NCC(O)c1cc(O)cc(O)c1,Brethaire_Terbutaline_Brethine_Terbutalin_Asthmasian_Bricanyl_,,,,,,,,
CHEMBL1761,,0,3.94,1,1.75,3.79,13.84,9.45,323.91,2,2,1,1,21,BASE,287.45,287.2249,0,0,23.47,0.89,N,5,TRUE,FALSE,FALSE,0,FALSE,0,Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,NSC-757293_Arpicolin_Procyclidine HCl_Procyclidine hcl_Muscinil_Procyclidine hydrochloride_Kemadrin_,,,,,,,,
CHEMBL1762,C01BB03_,0,1.59,1,1,1.88,13.65,8.23,192.26,2,3,2,3,14,NEUTRAL,192.26,192.1263,0,0,55.12,0.75,Y,2,TRUE,FALSE,FALSE,0,FALSE,1,Cc1cccc(C)c1NC(=O)C(C)N,Tocainide_W-36095_,,,,,,,,
CHEMBL1763,C03AA02_C03AH02_,2,0.01,1,-0.31,-0.3,9.07,None,331.3,5,7,3,4,20,NEUTRAL,331.3,330.9908,0,0,118.36,0.67,N,1,TRUE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,Hydrenox_Diucardin_Saluron_NSC-44627_Hydroflumethiazide_,,,,,,,,
CHEMBL1764,N05AA02_,1,4.5,2,2.24,4.25,None,9.42,328.48,4,3,0,0,23,BASE,328.48,328.1609,0,0,15.71,0.8,N,5,FALSE,TRUE,FALSE,0,FALSE,0,COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2,SK&F-5116_RP 7044_XP-03_Neozine_CL-39743_CL 39743_Levoprome_SK&F 5116_Tisercin_CL 36467_NSC-226516_RP-7044_CL-36467_Methotrimeprazine_N05AA02_XP03_Nirvan_Levomepromazine_,,,,,,,,
CHEMBL587723,,1,4.94,4,3.49,4.44,12.37,8.24,440.6,5,6,2,2,33,NEUTRAL,440.6,440.2688,0,0,60.08,0.43,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1,NVP-AEE788_GNF-PF-5343_NVP-AEE-788_AEE-788_Aee-788_AEE788_Aee 788_,,,,,,,,
CHEMBL586701,,0,6.25,3,4.57,5.68,6.32,0.47,355.46,3,2,1,1,26,ACID,355.46,355.1031,1,1,32.59,0.56,N,1,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(C2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc1,ZSTK-474_GNF-PF-5468_Zstk-474_Zstk474_,,,,,,,,
CHEMBL1766,D07AC03_D07XC02_,1,2.78,0,2.35,2.35,13.44,None,376.47,4,4,2,2,27,NEUTRAL,376.47,376.205,0,0,74.6,0.78,N,2,FALSE,FALSE,TRUE,0,FALSE,0,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,Stiedex_Stiedex lp_Topicort lp_A-41-304_A-41304_Topicort_R 2113_J83.644C_Desoxymethasone_HOE 304_R-2113_Stiedex lpn_Desoximetasone_HOE-304_NSC-759189_,,,,,,,,
CHEMBL593430,,1,1.47,0,-1.14,-1.14,4.68,9.91,185.27,2,3,2,3,13,ZWITTERION,185.27,185.1416,0,0,63.32,0.7,N,3,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H]1CC(CN)(CC(=O)O)C[C@@H]1C,Atagabalin_PD-0200,390_PD0200390_PD-0200390_PD 0200390_,,,,,,,
CHEMBL605525,,1,5.7,0,4.58,4.58,None,None,416.65,3,3,3,3,30,NEUTRAL,416.65,416.329,1,1,60.69,0.49,N,6,FALSE,FALSE,FALSE,0,FALSE,0,C=C1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@H]1O,Dp001_2MD_,,,,,,,,
CHEMBL1768,,0,0.18,0,-4.14,-4.14,None,None,196.68,2,4,1,2,11,NEUTRAL,161.22,161.1285,0,0,52.32,0.6,Y,3,TRUE,TRUE,FALSE,0,FALSE,0,CC(C[N+](C)(C)C)OC(N)=O.[Cl-],Carbamylmethylcholine chloride_NSC-30783_Myotonachol_Urecholine_Bethanechol Chloride_Bethanechol chloride_Duvoid_Myocholine_Myotonine_,,,,,,,,
CHEMBL1769,,2,2.56,1,1.03,2.6,None,8.96,330.86,5,5,1,2,21,BASE,294.4,294.1943,0,0,64.79,0.56,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl,NSC-760044_Blockain hydrochloride_Propoxycaine HCl_Propoxycaine hcl_Propoxycaine hydrochloride_Ravocaine hydrochloride_,,,,,,,,
CHEMBL1770,,1,2.15,1,2.22,2.36,None,6.98,240.76,3,2,0,0,14,NEUTRAL,204.3,204.0721,0,0,15.6,0.7,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1,L-narpenol_Levamisole hydrochloride_Ergamisol_Spartakon l_NSC-177023_R 12,564_Tetramisole hydrochloride, (s)-_Levamisole hcl_Ascaridil_R-12564_Solaskil_R 12654_Levamisoli hydrochloridum_Ketrax_,,,,,,
CHEMBL596802,,2,2.68,1,1.46,2.18,None,8.03,281.42,3,3,0,0,19,NEUTRAL,281.42,281.1449,0,0,37.38,0.85,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1,Huntexil_FR-310826_ACR16_Pridopidine_FR310826_ACR-16_,,,,,,,,
CHEMBL592445,,2,3.02,3,1.55,3.65,11.15,9.67,615.74,10,13,2,2,45,BASE,615.74,615.3282,2,1,128.29,0.41,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1,PKI-587_Gedatolisib_PF-05212384_,,,,,,,,
CHEMBL603469,,1,3.47,5,2.86,2.86,12.26,None,439.47,6,7,3,3,33,NEUTRAL,439.47,439.1532,0,0,88.65,0.37,N,1,FALSE,FALSE,FALSE,0,FALSE,0,C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,A-154475.0_A-154475_KT-555_KT-5555_SP-924_KT5555_Cep-701_CEP-701_Lestaurtinib_SP924_SPM-924_,,,,,,,,
CHEMBL592435,,2,3.34,3,3.31,3.41,13.5,6.82,308.39,4,5,3,3,23,NEUTRAL,308.39,308.1637,0,0,73.83,0.69,N,3,FALSE,FALSE,FALSE,0,FALSE,0,OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1,SLV320_Slv320_Derenofylline_SLV-320_,,,,,,,,
CHEMBL590540,,1,-0.81,0,-5.92,-5.9,1.56,9.34,240.31,6,6,4,6,14,ZWITTERION,240.31,240.0238,1,0,126.64,0.34,N,7,FALSE,FALSE,FALSE,0,FALSE,0,N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,NSC-13203_Cystine_,,,,,,,,
CHEMBL1771,B01AC04_,1,3.67,2,4.03,4.03,None,4.77,321.83,4,3,0,0,21,NEUTRAL,321.83,321.059,0,0,29.54,0.81,N,3,TRUE,FALSE,FALSE,1,FALSE,1,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,Clopidogrel besilate_Clopidogrel sandoz_Clopidogrel acino_Clopidogrel hexal_Clopidogrel-ratiopharm_R-130964_Iscover_R 130964_Clopidogrel apotex_Clopidogrel_SR-25990_Clopidogrel benzenesulfonate_Plavix_Zyllt_Clopidogrel 1a-pharma_Clopidogrel besylate_SR 25990_Grepid_NSC-758613_,,,,,,,,
CHEMBL1773,L01BC06_,1,0.76,1,0.75,0.77,8.63,None,359.35,8,9,3,3,25,NEUTRAL,359.35,359.1493,0,0,122.91,0.64,N,6,TRUE,FALSE,FALSE,1,FALSE,1,CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F,Ecansya_RO-09-1978000_RO 09-1978/000_NSC-759853_Xeloda_Capecitabine_Capecytabine_Capiibine_Captabin_Capecitabine sun_Capecitabine accord_Capecitabine medac_Capecitabine teva_Capecitibine_RO-091978000_,,,,,,,,
CHEMBL589586,,2,-0.2,0,-3.12,0.34,3.12,None,130.1,3,4,1,1,9,ACID,130.1,130.0266,0,0,63.6,0.41,N,2,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)/C=C/C(=O)O,Methyl Fumarate_Bafiertam_NSC-523835_Monomethyl fumarate_Fumaric acid monomethyl ester_,,,,,,,,
CHEMBL592054,,2,6.01,4,2.2,5.06,4.15,2.73,470.53,6,7,1,1,35,ACID,470.53,470.1842,1,1,94.15,0.21,N,11,FALSE,FALSE,FALSE,0,FALSE,0,Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCC(=O)O)c2ccccc2)cc1,TAK-559_Imiglitazar_Tak-559_,,,,,,,,
CHEMBL601719,L01ED01_,1,5.04,3,0.95,3.57,None,10.12,450.35,6,6,2,3,30,BASE,450.35,449.1185,1,1,77.99,0.53,N,5,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,PF-2341066_PF-02341066_NSC-756645_Crizotinib_Pf-2341066_Xalkori_,,,,,,,,
CHEMBL605846,R03AC19_,1,2.38,2,-0.18,1.19,9.22,9.84,386.45,6,7,4,4,28,BASE,386.45,386.1842,0,0,100.05,0.58,N,7,FALSE,FALSE,TRUE,0,FALSE,0,COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1,Olodaterol_BI 1744_Striverdi respimat_,,,,,,,,
CHEMBL604710,,2,6.14,4,6.22,6.47,None,7.3,460.62,2,3,0,0,35,NEUTRAL,460.62,460.2515,1,1,23.55,0.33,N,7,FALSE,FALSE,FALSE,0,FALSE,0,O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,NMED-160_MK6721_Z160_NP-118809_MK-6721_Z-160_,,,,,,,,
CHEMBL598797,,2,4.2,3,3.81,3.82,8.91,5.04,434.5,7,8,3,3,32,NEUTRAL,434.5,434.1954,0,0,105.6,0.18,N,11,FALSE,FALSE,FALSE,0,FALSE,0,C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1,Cudc 101_Cudc-101_CUDC-101_,,,,,,,,
CHEMBL598172,,2,4.78,3,4.01,4.01,10.49,1.29,437.24,4,6,2,2,27,NEUTRAL,437.24,436.0346,0,0,68.18,0.62,N,4,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C,Apd-125_APD125_Nelotanserin_APD-125_,,,,,,,,
CHEMBL607707,,2,5.1,3,2.76,4.18,12.55,8.81,467.93,6,7,2,2,33,BASE,467.93,467.1524,1,1,90.28,0.45,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,EKB-569_WAY-EKB-569_Pelitinib_,,,,,,,,
CHEMBL607710,D01AE07_,0,1.17,1,1.21,1.21,13.61,None,245.66,4,5,2,3,16,NEUTRAL,245.66,245.0455,0,0,81.78,0.82,N,5,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)OCC(O)COc1ccc(Cl)cc1,U-19646_NSC-6401_Chlorphenesin_U-19,646_NSC-82943_Maolate_Chlorphenesin carbamate_,,,,,,,
CHEMBL606260,,0,0.49,1,-5.91,0.82,3.11,None,422.37,5,8,3,3,26,ACID,378.41,378.0886,0,0,124.01,0.5,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+],Carbenicillin disodium salt_NSC-111071_Carbenicillin disodium_Carbenicillin sodium_Geopen_BRL-2064_CP-15-639-2_Pyopen_,,,,,,,,
CHEMBL608533,L01EX10_,1,5.91,6,5.43,5.43,13.51,None,570.65,6,8,1,1,43,NEUTRAL,570.65,570.2267,2,2,77.73,0.29,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,PKC 412_Pkc-412_NSC-656576_NVP-PKC412_CGP-41251_Midostaurin_CGP 41251_PKC-412_Rydapt_,,,,,,,,
CHEMBL607400,N03AX23_,1,0.9,0,0.66,0.66,None,None,212.29,2,4,1,2,15,NEUTRAL,212.29,212.1525,0,0,63.4,0.74,N,5,TRUE,TRUE,FALSE,0,FALSE,0,CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1,UCB-34714_Brivaracetam_Briviact_UCB 34714_,,,,,,,,
CHEMBL43708,,1,-0.18,0,-3.8,-3.8,3.44,11.8,317.37,5,7,4,4,20,ZWITTERION,299.35,299.094,0,0,113.72,0.22,N,7,FALSE,TRUE,FALSE,0,FALSE,0,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12.O,Imipenem monohydrate (h2o)_Imipenem_Imipenem hydrate_MK-0787_Imipemide_Imipenem monohydrate_NSC-759901_,,,,,,,,
CHEMBL1079742,,2,3.41,3,3.2,3.2,None,4.62,429.9,7,7,1,1,29,NEUTRAL,393.44,393.1689,0,0,74.73,0.42,N,10,TRUE,FALSE,FALSE,0,FALSE,0,C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl,Erlotinib hydrochloride_Erlotinib hcl_OSI-774_CP-358,774-01_CP-358_CP-358774-01_Tarceva_,,,,,,,
CHEMBL1079604,,0,1.79,1,2.37,2.37,13.14,None,221.26,3,4,1,1,16,NEUTRAL,221.26,221.1052,0,0,47.56,0.85,Y,3,TRUE,FALSE,FALSE,0,FALSE,0,Cc1cc(C)cc(OCC2CNC(=O)O2)c1,NSC-170959_Zorane_AHR-438_Skelaxin_Metaxalone_Flexura_,,,,,,,,
CHEMBL1079593,,1,3.11,5,3.51,3.51,12.51,4.53,420.38,7,8,1,1,31,NEUTRAL,420.38,420.1146,0,0,90.62,0.47,N,2,FALSE,FALSE,FALSE,0,FALSE,0,O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1[C@@H]1CCOc2c(F)cccc21,Vs 5584_Vs-5584_VS-5584_,,,,,,,,
CHEMBL1076347,,2,5.29,2,4.93,4.93,11.42,None,315.59,1,3,2,2,19,NEUTRAL,315.59,313.978,1,1,41.13,0.78,N,2,FALSE,FALSE,FALSE,0,FALSE,0,O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,NSC-72005_Tcc soap_3,4,4'-trichlorocarbanilide_Triclocarban_TCC_,,,,,,
CHEMBL1079175,,2,4.24,5,2.38,3.93,9.93,9.31,407.48,5,6,2,3,31,BASE,407.48,407.1746,0,0,89.07,0.47,N,3,FALSE,FALSE,FALSE,0,FALSE,0,NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,Mk-2206_MK-2206_MK2206_,,,,,,,,
CHEMBL1078178,,2,2.98,3,2.7,2.7,None,2.98,414.47,7,8,2,2,31,NEUTRAL,414.47,414.1804,0,0,103.17,0.6,N,6,FALSE,FALSE,FALSE,0,FALSE,0,N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1,CYT-11387_CYT-0387_Momelotinib_CYT387_GS-0387_Cyt-387_CYT-387_,,,,,,,,
CHEMBL1078261,G04BD06_,2,3.99,2,2.92,4.25,None,8.72,367.49,4,4,0,0,27,BASE,367.49,367.2147,0,0,38.77,0.69,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1,Detrunorm_Propiverine_Mictonorm_Detrunorm xl_NSC-172140_Mictonetten_Propiverine hydrochloride_,,,,,,,,
CHEMBL1077896,N01BB09_,1,3.51,1,3.51,4.07,13.62,7.82,274.41,2,3,1,1,20,NEUTRAL,274.41,274.2045,0,0,32.34,0.91,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,TLC-590_Tlc590_Ropivicaine_TLC590_Ropivacaine_,,,,,,,,
CHEMBL1090089,,2,1.94,3,0.93,0.93,None,2.56,406.39,8,8,3,3,29,NEUTRAL,406.39,406.1453,0,0,109.5,0.52,N,8,FALSE,FALSE,FALSE,0,FALSE,0,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21,RO 4402257_R-1503_Ro-4402257_Pamapimod_R1503_,,,,,,,,
CHEMBL1090090,,2,3.62,3,3.23,3.23,13.95,0.04,404.32,3,6,2,4,29,NEUTRAL,404.32,404.0896,0,0,102.31,0.65,N,4,FALSE,FALSE,FALSE,0,FALSE,0,NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F,Vx-702_VX-702_,,,,,,,,
CHEMBL1088750,,2,4.05,3,2.4,3.54,13.67,8.51,416.47,5,6,1,1,30,BASE,416.47,416.2024,0,0,59.39,0.6,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)NCCN(C)C)cc21,ARRY-797_Arry-797_ARRY-371797_,,,,,,,,
CHEMBL1088751,,2,4.43,3,4.24,4.24,None,None,477.31,4,5,1,1,30,NEUTRAL,477.31,476.0547,0,0,60.33,0.59,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1,PHA-797804_Ph-797804_PH-797804_,,,,,,,,
CHEMBL1088752,,2,3.86,2,3.68,3.68,13.86,2.6,383.47,3,5,2,2,28,NEUTRAL,383.47,383.2009,0,0,71.09,0.82,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1,GW856553_Losmapimod_GW-856553X_FTX-1821_GW856553X_Gw856553_GSK-AHAB_Gw-856553_GSKAHAB_FTX1821_,,,,,,,,
CHEMBL1090173,,2,2.89,3,1.58,1.59,9.85,1.85,397.87,5,7,2,2,28,NEUTRAL,397.87,397.1306,0,0,95,0.71,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=C(CO)N1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1,Sd-0006_SD-06_SD0006_SD-0006_,,,,,,,,
CHEMBL1088977,A16AA02_,0,-3.26,2,-5.32,-5.32,1.71,9.41,398.45,11,11,4,6,27,ZWITTERION,398.45,398.1372,2,1,185.46,0.34,N,7,FALSE,FALSE,FALSE,0,FALSE,0,C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,Ademetionine disulfate tosylate_Adenosylmethionine_Ademetionine disulfate tosilate_Samyr 200_Adomet_Gumbaral_Ademetionine tosilate sulfate_SAM-E_S-amet_Ademetionine tosilate sulphate_Zentonil_Ademetionine_Moodplus_S-adenosylmethionine_SAME_Ademetionine sulfate tosilate_Ademetionine disulphate tosylate_Transmetil_MSI-195_,,,,,,,,
CHEMBL1089318,N04BX04_,2,3.28,3,1.79,3.05,6.12,None,413.17,8,10,2,2,27,ACID,413.17,411.9977,0,0,149.46,0.17,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1,Ongentys_BIA-91067_BIA 9-1067_BIA-9-1067_Opicapone_,,,,,,,,
CHEMBL1090479,,2,5.94,5,2.92,4.55,13,9.02,507.64,5,8,2,2,38,BASE,507.64,507.2747,2,2,82.08,0.29,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1,Gsk-1070916_GSK 1070916A_GSK1070916_Gsk-1070916a_,,,,,,,,
CHEMBL1090488,,1,4.78,2,2.73,4.38,13.64,9.05,470.6,3,4,1,1,34,BASE,470.6,470.2745,0,0,43.78,0.7,N,3,FALSE,FALSE,FALSE,0,FALSE,0,C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1,(-)-PF-00446687_Pf-00446687_,,,,,,,,
CHEMBL1091644,,1,4.82,5,3.42,3.42,None,5.66,421.5,6,6,2,3,32,NEUTRAL,421.5,421.1903,0,0,89.33,0.44,N,3,FALSE,FALSE,FALSE,0,FALSE,0,C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1,OSI-906_OSI-906AA_Linsitinib_ASP-7487_,,,,,,,,
CHEMBL1096562,L01XD03_,2,-0.53,0,-1.42,-0.85,None,7.83,145.16,4,4,1,2,10,NEUTRAL,145.16,145.0739,0,0,69.39,0.54,N,4,FALSE,FALSE,TRUE,1,FALSE,0,COC(=O)CCC(=O)CN,Metvix_Methyl aminolaevulinate_Methyl 5-aminolevulinate_Methyl-5-aminolevulinate_Methyl aminolevulinate_,,,,,,,,
CHEMBL1096882,L01BB05_,1,-1.72,2,-5.12,-1.97,1.22,0.59,365.21,10,12,5,6,24,ACID,365.21,365.0537,2,0,186.07,0.31,N,4,TRUE,TRUE,FALSE,0,FALSE,1,Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,NSC-118218_Fludarabine monophosphate_NSC-312887_2-fluoro ara-a_Oforta_2-f-ara-amp_2-f-araa_Fludara_Fludarabine_Fludarabine 5'-monophosphate_2-fluorovidarabine_Fluradosa_NSC-118218H_Fludarabine phosphate_NSC-328002_,,,,,,,,
CHEMBL1094966,R03CC07_R03AC08_,0,0.7,1,-1.78,-0.66,8.79,9.59,240.3,5,5,4,4,17,BASE,240.3,240.1474,0,0,85.61,0.62,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,Pirbuterol_ARA-211_,,,,,,,,
CHEMBL1096885,L01DB09_,1,2.46,2,3.92,4.49,6.86,None,723.65,13,14,5,5,51,NEUTRAL,723.65,723.2139,2,2,215.22,0.15,N,10,FALSE,TRUE,FALSE,0,FALSE,0,CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O,Valstar preservative free_Valrubicin_AD-32_NSC-246131_AD 32_Valstar_,,,,,,,,
CHEMBL1096896,,1,1.92,5,2.02,2.06,12.32,6.45,777.89,13,17,7,7,57,NEUTRAL,777.89,777.3711,3,3,220.78,0.08,N,14,FALSE,FALSE,FALSE,0,FALSE,0,CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)[C@H](O)[C@@H]1O,Uk432097_,,,,,,,,
CHEMBL1094636,L01XK02_,1,2.59,3,-0.11,2.47,None,10.08,320.4,4,5,2,3,24,BASE,320.4,320.1637,0,0,72.94,0.78,N,3,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12,MK4827_JNJ-64091742_Zejula_ZL-2306_Niraparib_MK-4827_,,,,,,,,
CHEMBL1095607,R03CC14_R03AC15_,0,-0.44,3,-2.34,-1.19,8.84,9.66,389.41,10,10,4,4,28,BASE,389.41,389.1699,0,0,134.54,0.4,N,7,FALSE,FALSE,FALSE,0,FALSE,0,Cn1c(=O)c2c(ncn2CCCNCC(O)c2cc(O)cc(O)c2)n(C)c1=O,D-1959_Reproterol_,,,,,,,,
CHEMBL1095292,C01BD02_,2,3.05,1,-1.12,-1.12,None,None,414.37,0,1,0,0,13,NEUTRAL,243.17,242.0539,0,0,0,0.72,N,3,FALSE,TRUE,FALSE,0,FALSE,0,CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)[O-])cc1,ASL-603_Bretylium tosylate_NSC-62164_Bretylium tosilate_Bretylol_,,,,,,,,
CHEMBL1095283,G01AA08_,0,2.01,2,-0.81,2.62,3.29,None,454.5,6,8,2,2,32,ACID,454.5,454.1199,0,0,113.01,0.3,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O,Carfecillin_,,,,,,,,
CHEMBL1095930,,0,-0.17,1,-0.43,-0.43,10.92,None,510.48,12,14,2,3,35,NEUTRAL,510.48,510.1057,2,2,189.06,0.15,N,9,TRUE,FALSE,FALSE,1,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1,Cefuroxime axetil_NSC-758677_Zinat_CCI 15641_Curocef_Cefuroxime 1-acetoxyethyl ester_Elobact_Cefuroxime (as axetil)_Cetoxil_Ceftin_Novador_Novocef_Cefurax_CCI-15641_Zinnat_Oraxim_Cepazine_,,,,,,,,
CHEMBL1098319,,2,-0.2,0,-2.78,-0.4,-1.16,None,142.2,3,3,2,1,7,ACID,142.2,141.9758,0,0,54.37,0.41,Y,2,TRUE,TRUE,FALSE,0,FALSE,0,O=S(=O)(O)CCS,D 7093_Mesna_Mesnex_,,,,,,,,
CHEMBL1098285,,2,2.46,2,-5.64,-5.64,None,None,576.33,4,8,0,0,30,NEUTRAL,416.52,416.2413,0,0,66.84,0.47,N,9,FALSE,FALSE,FALSE,0,FALSE,0,CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1.[Br-].[Br-],Hexamarium bromide_Distigmine bromide_Ubretid_BC-51_Ubritil_,,,,,,,,
CHEMBL1095777,R03AC18_,1,3.15,3,2.32,3.26,8.51,9.71,392.5,4,5,4,4,29,BASE,392.5,392.21,0,0,85.35,0.52,N,6,FALSE,FALSE,TRUE,0,FALSE,0,CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,Indacterol_QAB-149_Onbrez_QAB149_Indacaterol_QABI49_,,,,,,,,
CHEMBL1094785,,1,2.5,3,0.53,1.49,8.52,9.76,368.43,5,6,4,4,27,BASE,368.43,368.1736,0,0,94.58,0.51,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1,TA-2005_Chf 4226_CHF-4226_Carmoterol_Quinoterol_,,,,,,,,
CHEMBL1097279,,0,2.85,2,-5.25,-0.6,0.79,4.94,864.29,15,17,7,7,44,ACID,776.37,774.9483,3,3,255.91,0.05,N,15,FALSE,TRUE,FALSE,0,FALSE,0,CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+].[Na+].[Na+],Kengreal_AR-C69931MX_Cangrelor tetrasodium salt_Cangrelor tetrasodium_Kengrexal_Cangrelor_,,,,,,,,
CHEMBL1097999,,1,2.27,1,2.92,2.92,9.86,2.98,389.45,7,7,4,4,28,NEUTRAL,389.45,389.1838,0,0,116.09,0.57,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O,E-6201_E6201_ER-806201_,,,,,,,,
CHEMBL1095097,C03DA04_,1,3.12,0,2.33,2.33,None,None,414.5,6,6,0,0,30,NEUTRAL,414.5,414.2042,0,0,82.2,0.48,N,1,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13,Inspra_Eplerenone_SC-6611O_SC-66110_,,,,,,,,
CHEMBL1096979,,0,-1.76,1,-2.07,-1.9,8.66,7.48,257.25,7,8,7,8,18,NEUTRAL,257.25,257.1012,1,1,148.07,0.24,N,5,FALSE,FALSE,FALSE,0,FALSE,0,NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,RO-4-4602_Serazide_Benserazide_NSC-755907_Benserazide hcl_RO 4-4602_Benserazide hydrochloride_Benserazide (as hydrochloride)_,,,,,,,,
CHEMBL1096146,,1,4.27,2,4.49,4.49,13.62,0.91,460.98,6,6,2,2,31,NEUTRAL,460.98,460.1224,0,0,82.36,0.57,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CCC/N=C1\S/C(=C\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C,ACT-128800_Ponesimod_Ponvory_,,,,,,,,
CHEMBL1083659,N05CM19_,1,4.11,4,4.04,4.04,None,0.26,450.93,7,8,0,0,32,NEUTRAL,450.93,450.1571,0,0,80.29,0.47,N,3,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1,Belsomra_Suvorexant_MK-4305_MK4305_,,,,,,,,
CHEMBL1083385,,1,3.67,2,4.03,4.03,None,4.77,419.91,4,3,0,0,21,NEUTRAL,321.83,321.059,0,0,29.54,0.81,N,3,TRUE,FALSE,FALSE,1,FALSE,1,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O,SR 25990C_Clopidogrel-bgr_Clopidogrel hydrogen sulfate_Isocover_Clopidogrel teva_Clopidogrel hydrogen sulphate_Clopidogrel bisulphate_Clopidogrel (as bisulfate)_Plavix_Clopidogrel-bms_Clopidogrel bisulfate_SR-25990C_Clopidogrel bms_Clopidogrel ratiopharm_Pidogrel_Clopidogrel sulfate_Clopidogrel zentiva_,,,,,,,,
CHEMBL1083993,,2,6.94,3,6.53,7.64,None,8.47,681.78,4,4,0,0,31,NEUTRAL,645.32,645.0237,2,2,42.68,0.17,N,11,TRUE,TRUE,FALSE,0,FALSE,1,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,SKF 33134-A_SKF-33134-A_Amiodarone hydrochloride_Cordarone_Amidox_Amyben_Pacerone_Miodaron_Amiodar_SK&F-33134-A_Amiodarone hcl_NSC-343341_Darmil_Ortacrone_Cordarone x 200_L-3428_Ritmocardyl_Cordarone x 100_NSC-85442_Cordarone x_Nexterone_VF-236_Trangorex_Amiodarone_,,,,,,,,
CHEMBL1086440,P02BX04_,2,6.04,3,5.88,5.88,10.31,4.39,359.67,3,3,1,1,21,NEUTRAL,359.67,357.9501,1,1,37.91,0.58,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,Egaten_Triclabendazole_EGA230B_Fasinex_NVP-EGA230_NSC-759250_Egaten tm_,,,,,,,,
CHEMBL1083390,,2,2.48,3,1.43,2.66,None,8.61,353.45,5,5,1,1,25,BASE,353.45,353.1198,0,0,62.3,0.78,N,3,FALSE,FALSE,FALSE,0,FALSE,0,O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1,GSK742457_GSK-742457_Sb-742457_RVT-101_SB-742457_Intepirdine_,,,,,,,,
CHEMBL1082407,L02BB04_,2,3.99,2,4.16,4.16,13.05,None,464.44,4,6,1,1,32,NEUTRAL,464.44,464.093,0,0,76.44,0.55,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,MDV-3100_Xtandi_Enzalutamide_MDV3100_Mdv 3100_,,,,,,,,
CHEMBL1084546,,2,3.14,3,1.91,1.91,12.34,4.26,507.5,8,10,3,3,35,NEUTRAL,507.5,507.13,1,1,129.21,0.44,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,PF 562271_Pf-00562271_PF-562271_,,,,,,,,
CHEMBL1082607,,0,4.11,2,1.95,3.61,10.12,9.4,603.76,5,5,4,4,30,BASE,415.57,415.2723,0,0,81.95,0.31,N,16,FALSE,FALSE,TRUE,0,FALSE,1,O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,LIPO-202_GR-33343X_Salmeterol 1-hydroxy-2-naphthoate_GR 33343 G_GR-33343 G_Serevent_Salmeterol xinafoate_,,,,,,,,
CHEMBL1084172,,1,4.61,2,1.93,3.6,10.12,9.4,774.78,6,6,4,4,32,BASE,486.44,485.1736,0,0,91.18,0.26,N,16,FALSE,FALSE,TRUE,0,FALSE,0,O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O,Vilanterol trifenatate_Vilanterol (as trifenatate)_GW642444M_GW-642444M_,,,,,,,,
CHEMBL1084617,,2,3.06,3,2.46,2.55,None,6.76,436.51,7,8,1,1,32,NEUTRAL,436.51,436.2111,0,0,77.85,0.58,N,8,FALSE,FALSE,FALSE,0,FALSE,0,COc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1,APD-791_Temanogrel_APD791_Apd791_,,,,,,,,
CHEMBL1159650,D07AD01_,1,4.1,0,4.18,4.18,13.59,None,466.98,5,5,1,1,32,NEUTRAL,466.98,466.1922,0,0,80.67,0.5,N,4,FALSE,FALSE,TRUE,0,FALSE,1,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Impoyz_Olux e_Clobetasol_Clobetasol propionate (emollient)_Impeklo_NSC-758634_CCI-4725_Clobex_Dermovate_Etrivex_Olux_Psorex_Clarelux_Clobetasol propionate_Clobaderm_Cormax_Dermovate nn_CCI 4725_GR 2/925_Dovate_Clobetasol 17-propionate_Temovate e_Embeline_Embeline e_Clobecort amex_Temovate_,,,,,,,,
CHEMBL1159717,R03CC11_R03AC11_,0,2.76,1,0.44,2.56,13.9,9.55,227.74,2,2,2,2,15,BASE,227.74,227.1077,0,0,32.26,0.83,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(C)NCC(O)c1ccccc1Cl,Berachin_Brelomax_Bremax_NSC-758643_Tulobuterol hcl_Respacal_Tulobuterol hydrochloride_Atenos_Lobuterol_Tulobuterol_Chlibamol_Hokunalin_,,,,,,,,
CHEMBL1162175,,1,1.8,3,-1.66,0.65,1.18,2.23,532.45,10,14,4,4,37,ACID,532.45,532.1471,2,1,179.18,0.31,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21,Regrelor_,,,,,,,,
CHEMBL1164729,M04AA03_,2,3.72,2,0.06,3.52,3.08,0.39,316.38,5,5,1,1,22,ACID,316.38,316.0882,0,0,83.21,0.91,N,5,TRUE,FALSE,FALSE,0,FALSE,1,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,Adenuric_Febuxostat_TMX-67_NSC-758874_Uloric_,,,,,,,,
CHEMBL1171837,L01EA05_,2,4.46,4,4.54,4.97,None,7.62,532.57,6,7,1,1,39,NEUTRAL,532.57,532.2198,1,1,65.77,0.39,N,4,TRUE,FALSE,FALSE,0,FALSE,1,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12,Ponatinib_AP24534_Iclusig_AP-24534_,,,,,,,,
CHEMBL1173655,L01EB03_,1,4.39,3,2.34,3.76,12.49,8.81,485.95,7,8,2,2,34,BASE,485.95,485.163,0,0,88.61,0.46,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,Bibw 2992_BIBW2992_Gilotrif_Tomtovok_Afatinib_BIBW-2992_Tovok_Giotrif_NSC-750691_,,,,,,,,
CHEMBL1173055,L01XK03_,2,2.98,3,0.55,2.45,13.16,9.32,323.37,2,4,3,3,24,BASE,323.37,323.1434,0,0,56.92,0.69,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,AG-14447_Rucaparib_AG-014699_,,,,,,,,
CHEMBL1179047,N01BA04_,2,2.42,1,0.92,2.48,None,8.96,270.76,4,4,1,2,18,BASE,270.76,270.1135,0,0,55.56,0.64,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCN(CC)CCOC(=O)c1ccc(N)cc1Cl,Chloroprocaine_2-chloroprocaine_,,,,,,,,
CHEMBL1180003,,2,5.39,0,1.8,1.8,None,None,256.5,0,1,0,0,18,NA,256.5,256.2999,1,1,0,0.31,N,13,FALSE,FALSE,FALSE,0,FALSE,0,CCCCCCCCCCCCCC[N+](C)(C)C,Cetrimide_,,,,,,,,
CHEMBL1180725,A03AB05_,2,4.73,2,0.36,0.36,None,None,368.5,3,4,0,0,27,NEUTRAL,368.5,368.222,0,0,35.53,0.55,N,6,TRUE,TRUE,FALSE,0,FALSE,0,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C,Propantheline cation_Propantheline ion_Propantheline_,,,,,,,,
CHEMBL1182833,,0,None,None,None,None,None,None,1029.28,None,None,None,None,None,NA,1029.28,1028.5599,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2,BW-B109OU_Mivacurium cation_Mivacurium ion_BW B109OU_Mivacurium_,,,,,,,,
CHEMBL1183349,,0,4.58,5,0.48,0.52,12.55,6.45,717.78,12,13,2,2,51,NEUTRAL,717.78,717.2414,2,2,159.37,0.13,N,13,TRUE,TRUE,FALSE,1,FALSE,0,CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1,BAL-8557000_Isavuconazonium_Isavuconazonium ion_BAL-8557-000_Isavuconazonium cation_BAL8557_Bal-8557_BAL8557-000_,,,,,,,,
CHEMBL1183717,R07AB07_,2,4.26,3,4.97,6.05,None,8.47,477.56,7,7,2,2,35,NEUTRAL,477.56,477.2453,0,0,69.21,0.42,N,10,FALSE,FALSE,FALSE,0,FALSE,0,C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1,Almitrine_,,,,,,,,
CHEMBL1186579,,0,1.67,1,-2.34,-2.49,9.9,None,356.44,4,5,2,2,26,NEUTRAL,356.44,356.1856,0,0,66.76,0.79,N,2,TRUE,TRUE,FALSE,0,FALSE,0,C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,MRZ-2663_Methylnaltrexone ion_Methylnaltrexone_Methylnaltrexone cation_,,,,,,,,
CHEMBL1186610,,1,3.52,0,-0.67,-0.67,None,None,282.45,2,3,0,0,20,NA,282.45,282.2428,0,0,26.3,0.55,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C,Anisotropine_Octatropine_,,,,,,,,
CHEMBL1187011,A01AB06_,2,6.06,1,2.55,2.55,None,None,334.57,1,2,0,0,24,NEUTRAL,334.57,334.3104,1,1,9.23,0.28,N,15,FALSE,FALSE,FALSE,0,FALSE,0,CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1,Domiphen ion_Domiphen cation_Phenododecinium_Domiphen_,,,,,,,,
CHEMBL1187417,D08AJ01_R02AA16_D09AA11_,2,6.57,1,3.08,3.08,None,None,318.57,0,1,0,0,23,NEUTRAL,318.57,318.3155,1,1,0,0.27,N,14,FALSE,FALSE,FALSE,0,FALSE,1,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,Benzalkonium_Benzalkonium cation_Benzalkonium ion_,,,,,,,,
CHEMBL1187724,A03BB02_,0,2.08,1,-2.59,-2.59,None,None,304.41,3,4,1,1,22,NEUTRAL,304.41,304.1907,0,0,46.53,0.68,N,4,FALSE,FALSE,FALSE,0,FALSE,0,C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,N-methylatropine_Methylatropine_Methylatropinium_Methylatropinium ion_Methylatropinium cation_,,,,,,,,
CHEMBL1187833,,2,5.14,3,0.68,0.68,13.04,None,428.6,2,3,1,1,32,NEUTRAL,428.6,428.2584,1,1,29.46,0.4,N,8,FALSE,FALSE,TRUE,0,FALSE,0,OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2,GSK-573719_Umeclidinium ion_GSK573719_Umeclidinium cation_Umeclidinium_,,,,,,,,
CHEMBL1189432,R01AC08_S01GX09_,2,3.59,2,0.75,0.75,3.78,9.76,337.42,3,4,1,1,25,ZWITTERION,337.42,337.1678,0,0,49.77,0.91,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21,Olopatadine_Opatanol_AL-4943A_,,,,,,,,
CHEMBL1189679,A04AA55_A04AA05_,1,2.66,1,1.87,2.55,None,7.97,296.41,2,3,0,0,22,NEUTRAL,296.41,296.1889,0,0,23.55,0.8,Y,1,TRUE,TRUE,FALSE,0,FALSE,0,O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2,NSC-743769_(-)-palonosetron_Palonosetron_Aurothioglucose_Palonosetron, (3as, 3s)-_,,,,,,
CHEMBL1193948,,1,3.46,2,1.63,3.89,None,9.7,403.91,5,5,2,2,28,BASE,403.91,403.155,0,0,67.79,0.66,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2,SR58611_SR-58611_Amibegron_,,,,,,,,
CHEMBL1194325,,1,4.67,3,0.46,0.45,10.35,None,484.66,6,5,1,1,33,NEUTRAL,484.66,484.1611,0,0,55.76,0.27,N,9,FALSE,FALSE,TRUE,0,FALSE,0,O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1,Aclidinium_Aclidinium cation_Aclidinium ion_,,,,,,,,
CHEMBL1194666,A08AA03_,0,2.6,1,2.38,2.7,None,7.44,205.3,2,2,0,0,15,NEUTRAL,205.3,205.1467,0,0,20.31,0.69,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(C)C(=O)c1ccccc1,D07444_Diethylpropion_Anferpramon_Diethylcathinone_.alpha.-benzoyltriethylamine_J4.327C_Anfepramone_Amfepramone_C06954_,,,,,,,,
CHEMBL1197051,C04AA01_,0,2.87,2,1.32,2.56,9.65,9,301.39,4,4,3,3,22,BASE,301.39,301.1678,0,0,61.72,0.74,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,Dilator_Isoxsuprine_,,,,,,,,
CHEMBL1198855,,1,3.9,2,2.21,2.21,3.23,9.96,447.52,4,5,3,3,32,ZWITTERION,447.52,447.2221,0,0,78.79,0.49,N,11,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)cc(F)c1F,Ronacaleret_Sb-751689_,,,,,,,,
CHEMBL1198857,,1,4.61,2,1.93,3.6,10.12,9.4,486.44,6,6,4,4,32,BASE,486.44,485.1736,0,0,91.18,0.26,N,16,FALSE,FALSE,TRUE,0,FALSE,0,OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O,Vilanterol_GW-642444X_GW-642444_GW642444_GW642444X_,,,,,,,,
CHEMBL1199080,,2,3.05,1,-1.12,-1.12,None,None,243.17,0,1,0,0,13,NEUTRAL,243.17,242.0539,0,0,0,0.72,N,3,FALSE,TRUE,FALSE,0,FALSE,0,CC[N+](C)(C)Cc1ccccc1Br,Bretylium_Bretylium ion_Bretylium cation_,,,,,,,,
CHEMBL1199307,N07AA03_,2,2.46,2,-5.64,-5.64,None,None,416.52,4,8,0,0,30,NEUTRAL,416.52,416.2413,0,0,66.84,0.47,N,9,FALSE,FALSE,FALSE,0,FALSE,0,CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1,Distigmine cation_Distigmine ion_Distigmine_,,,,,,,,
CHEMBL1199324,,1,4.37,3,-0.48,2.71,0.36,3.9,614.41,7,10,3,3,41,ACID,614.41,614.1165,1,1,129.91,0.26,N,7,FALSE,TRUE,FALSE,1,FALSE,0,C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,Fosaprepitant_Ivemend_L-758298_,,,,,,,,
CHEMBL1200321,,2,1.67,2,-0.14,0.73,5.8,2.17,372.45,5,6,2,3,18,ACID,267.31,267.0678,0,0,98.22,0.82,N,3,FALSE,TRUE,TRUE,0,FALSE,0,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.OCCNCCO,NU-445_Sulfisoxazole diolamine_Sulfafurazole diethanolamine_Sulphafurazole diolamine_Gantrisin_Sulfafurazole diolamine_,,,,,,,,
CHEMBL1200322,,1,3.81,2,1.41,3.76,None,9.78,414.43,3,3,0,0,24,BASE,324.4,324.1638,0,0,36.26,0.84,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O,Escitalopram (as oxalate)_Citalopram oxalate, (s)-_LU-26-054-O_LU-26-054-0_Escitalopram oxalate_Lexapro_NSC-758934_LU 26-054-0_,,,,,,,
CHEMBL1200323,,0,2.14,2,1.26,1.89,8.05,9.8,364.87,4,5,4,5,24,BASE,328.41,328.1787,0,0,95.58,0.6,N,8,TRUE,TRUE,FALSE,0,FALSE,0,CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl,SCH-15719W HYDROCHLORIDE_Normodyne_Ibidomide hydrochloride_Labetalol hydrochloride in dextrose_Trandate_AH-5158A HYDROCHLORIDE_SCH 15719W_AH 5158A_Labetalol hydrochloride in sodium chloride_Labrocol_Labetalol hcl_NSC-290312_SCH-15719W_Labetalol Hydrocloride_AH-5158A_Labetalol hydrochloride_,,,,,,,,
CHEMBL1200326,,0,3.68,2,2.78,3.56,None,8.1,515.99,8,9,1,1,35,NEUTRAL,479.53,479.2056,0,0,111.01,0.33,N,9,TRUE,TRUE,FALSE,0,FALSE,0,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl,Ranvil_NSC-757855_Rycarden_Nicarpin_RS-69216-XX-07-0_Barizin_Loxen_Nicapress_Perdipina_RS-69216XX07-0_Nicodel_Lecibral_Nicant_Nicardipine hydrochloride_Vasonase_Nicardipine hcl_YC-93_Vasodin_Perdipine_Nerdipina_Lecibra_RS-69216_Lescodil_Nicardal_Rydene_Ridene_Cardene_Nimicor_Cardepine_Cardene sr_Dacarel_,,,,,,,,
CHEMBL1200328,,1,4.63,3,1.94,4.2,None,9.7,333.88,3,2,1,1,21,BASE,297.42,297.1187,0,0,21.26,0.72,N,6,TRUE,FALSE,FALSE,0,FALSE,1,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl,Drizalma sprinkle_Xeristar_LY248686 HCL_Duciltia_NSC-759112_Duloxetine (as hydrochloride)_LY-248686 HCL_Duloxetine hcl_Yentreve_Duloxetine hydrochloride_LY-248686_Ariclaim_Cymbalta_Duloxetine mylan_,,,,,,,,
CHEMBL1200329,,2,1.72,2,1.68,2.02,None,7.49,290.18,6,5,2,2,16,NEUTRAL,253.72,253.0189,0,0,62.2,0.81,N,1,TRUE,FALSE,FALSE,0,FALSE,0,Cl.Clc1ccc2nsnc2c1NC1=NCCN1,DS-103-282_DS 103-282_Zanaflex_Tizanidine hcl_AN-021_Sirdalud mr_AN021_Tizanidine hydrochloride_Tizanidine (as hydrochloride)_Sirdalud_,,,,,,,,
CHEMBL1200330,,1,1.16,1,0.92,0.95,None,6.37,244.72,4,4,0,0,15,NEUTRAL,208.26,208.1212,0,0,44.12,0.7,N,3,TRUE,FALSE,TRUE,0,FALSE,0,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.Cl,Pilopine hs_Pilocarpine hcl_Pilocarpinum muriaticum_Pilopine_Vistacarpin n_Pilocarpine monohydrochloride_Pilocarpine hydrochloride_Pilocarpini hydrochloridum_Sno pilo_Pilogel_Salagen_Ocusert_Piloc hcl_Isopto carpine_,,,,,,,,
CHEMBL1200331,,1,-0.09,0,-3.18,-0.74,1.25,None,259.19,2,4,2,2,8,ACID,138.06,138.0082,0,0,70.06,0.39,N,1,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@H]1O[C@@H]1P(=O)(O)O.NC(CO)(CO)CO,Fosfomycin trometamol (1:1)_Z 1282_Fosfomycin trometamol_Fosfomycin tromethamine_Monurol_Fosfomycin trometamol salt_Monuril_Z-1282_,,,,,,,,
CHEMBL1200332,,2,4.3,2,1.61,4.5,None,10.54,299.85,1,1,1,1,20,BASE,263.38,263.1674,0,0,12.03,0.81,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CNCCCC1c2ccccc2C=Cc2ccccc21.Cl,Vivactil_Concordin-10_Protriptyline hydrochloride_MK-240_Concordin-5_Protriptyline hcl_NSC-169912_,,,,,,,,
CHEMBL1200334,,2,4.11,2,2.99,3.07,12.9,6.73,463.99,6,7,1,1,30,NEUTRAL,427.53,427.1566,0,0,71.11,0.77,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl,Moracizine hydrochloride_Moricizine hcl_Moricizine hydrochloride_Ethmozine_,,,,,,,,
CHEMBL1200335,G03BA03_,1,6.4,0,6.29,6.29,None,None,400.6,3,3,0,0,29,NEUTRAL,400.6,400.2977,1,1,43.37,0.38,N,6,FALSE,TRUE,FALSE,1,FALSE,1,CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,NSC-17591_Testosterone heptanoate_Androtardyl_Xyosted (autoinjector)_Testosterone enanthate_Testosterone enantate_Testosteroni enantas_Testosterone enanthate ciii_Primoteston depot_Xyosted_Delatestryl_,,,,,,,,
CHEMBL1200338,C02DG01_,0,2.35,1,2.24,2.25,None,5.61,263.35,3,5,2,2,18,NEUTRAL,245.33,245.164,0,0,73.1,0.48,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C.O,Pinacidil_Pinacidil hydrate_Pindac_NSC-759588_Pinacidil monohydrate_,,,,,,,,
CHEMBL1200339,,1,0.65,1,-1.35,-0.07,9.07,9.69,203.67,3,3,3,3,12,BASE,167.21,167.0946,0,0,52.49,0.62,Y,3,TRUE,TRUE,TRUE,0,FALSE,0,CNC[C@H](O)c1cccc(O)c1.Cl,Neo-synephrine_Biorphen_Phenylephrine hydrochloride_Nurofen sinus pain relief_Vazculep_Metaoxedrine chloride_Nazex_Afrin 4 hour nasal spray_Fenox_NSC-757273_Nostril_Phenylephrine HCl_Prefrin_Neosynephrine_Biomydrin_Mydfrin_Fenilfar_,,,,,,,,
CHEMBL1200340,,1,1.29,0,-0.72,1.16,None,9.31,410.4,5,6,2,3,22,BASE,312.41,312.2049,0,0,90.65,0.69,N,7,TRUE,FALSE,FALSE,1,FALSE,0,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O,RO-64-0796-002_Tamiflu_RO 64-0796/002_Agucort_Oseltamiviri phosphas_Oseltamivir phosphate_Oseltamivir (as phosphate)_,,,,,,,,
CHEMBL1200341,,2,3.22,2,0.46,3.26,None,10.4,344.89,2,3,2,3,23,BASE,308.43,308.1889,0,0,55.12,0.81,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21.Cl,Indecainide hcl_Ricainide_LY-135837_Indecainide hydrochloride_LY-135857_Decabid_LY 135837_,,,,,,,,
CHEMBL1200342,H02AB05_,1,2.32,0,1.74,1.74,12.47,None,434.5,6,6,2,2,31,NEUTRAL,434.5,434.2105,0,0,100.9,0.66,N,3,TRUE,FALSE,FALSE,1,FALSE,0,CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,Paramethasone_Haldrone_Paramethasone 21-acetate_Dillar_Paramethasone acetate_,,,,,,,,
CHEMBL1200343,,1,1.94,0,-0.85,0.63,3.79,5.48,441.61,5,7,2,2,26,ACID,368.47,368.2311,0,0,95.94,0.64,N,8,TRUE,FALSE,FALSE,1,FALSE,1,CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC,NSC-758929_S-9490-3_Perindopril erbumine_Coversyl_Perindopril tert-butylamine_Aceon_MCN-A-2833-109_,,,,,,,,
CHEMBL1200347,,2,4.11,2,0.14,0.14,None,None,480.43,1,3,1,2,26,NEUTRAL,353.53,353.2587,0,0,43.09,0.71,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-],Tyrimide_Isoproponum iodide_Sanulcin_Priamide_Dipramid_Dipramide_Isopropamide iodide_Isamid_Priazimide_Darbid_Isopropamide (as iodide)_Piaccamide_SKF-4740_NSC-15521_Marygin-m_,,,,,,,,
CHEMBL1200348,,0,6.52,3,6.02,6.06,None,6.51,460.77,3,2,0,0,24,NEUTRAL,397.76,396.0022,1,1,17.82,0.47,N,6,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,RS-44872_Exelderm_RS-44872-00-1O-3_NSC-757849_Sulconazole nitrate_Sulcosyn_RS-44872-00-10-3_,,,,,,,,
CHEMBL1200351,,2,0.86,2,-0.05,0.39,6.99,2.01,272.26,5,6,2,3,17,NEUTRAL,250.28,250.0524,0,0,97.97,0.79,N,3,FALSE,TRUE,FALSE,0,FALSE,0,Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Na+],NSC-117870_Sodium sulfadiazine_Sulfadiazine sodium_,,,,,,,,
CHEMBL1200354,C05BB04_,0,4.22,0,2.66,5.04,-1.05,None,316.44,3,4,1,1,19,ACID,294.46,294.1865,0,0,63.6,0.58,N,11,FALSE,TRUE,FALSE,0,FALSE,0,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],Fibrovein_Sodium tetradecyl sulfate_S.t.d._Fibro-vein_Sotradecol_Sodium tetradecyl sulphate_NSC-755887_,,,,,,,,
CHEMBL1200356,,1,0.28,0,-1.95,-1.91,3.3,8.45,341.43,5,7,3,4,23,ACID,341.43,341.1409,0,0,112.73,0.64,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O,Vastcillin_Cyclapen_Vasticillin_NSC-88789_Cyclapen-w_Calthor_Ciclacillin_WY-4508_Cyclacillin_,,,,,,,,
CHEMBL1200357,,0,-1.13,2,-6.72,0.17,2.81,None,564.44,12,15,4,4,36,ACID,520.48,520.1012,2,2,206.3,0.13,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CO[C@@]1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CO[C@@H]21.[Na+].[Na+],NSC-757107_Moxam_Disodium latamoxef_Latamoxef disodium_Moxalactam disodium salt_LY127935_LY-127935_Moxalactam disodium_Shiomarin_Latamoxef sodium_Latamoxefum dinatricum_,,,,,,,,
CHEMBL1200358,,-1,None,None,None,None,None,None,158.13,None,None,None,None,None,NA,158.13,158.0344,None,None,None,None,None,None,TRUE,TRUE,FALSE,0,FALSE,0,O=C([O-])Cc1ccccc1.[Na+],NSC-3039_Sodium phenylacetic acid_Sodium phenylacetate_,,,,,,,,
CHEMBL1200359,J01ED04_,2,0.87,2,-0.18,0.23,7.06,1.98,280.31,6,7,2,3,19,NEUTRAL,280.31,280.063,0,0,107.2,0.8,N,4,TRUE,FALSE,FALSE,0,TRUE,0,COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,NSC-757874_Ultrax_Sulfametoxydiazine_Sulfamethoxydiazine_Sulphamethoxydiazine_Sulfameter_AHR-857_SH-613_BAY-5400_Sulla_NSC-683528_Bayrena_Sulfametin_Sulfamethoxypyrimidine_,,,,,,,,
CHEMBL1200366,,1,0.44,1,-2.5,-2.14,3.26,7.23,401.87,5,7,3,4,24,ACID,347.4,347.094,0,0,112.73,0.68,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.Cl.O,Cephalexin hydrochloride_Cephalexin hcl_Cefalexin hydrochloride_LY-061188_LY061188_Keftab_,,,,,,,,
CHEMBL1200367,,2,2.61,0,-3.05,-3.05,None,None,383.23,4,4,0,0,15,NA,256.33,256.1131,0,0,35.53,0.49,N,8,FALSE,FALSE,TRUE,0,FALSE,0,CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-],Ecostigmine iodide_Echodide_Phospholine iodide_Ecothiopate iodide_217-MI_Echothiophate iodide_,,,,,,,,
CHEMBL1200374,L02BG06_,1,4.03,0,3.87,3.87,None,None,296.41,2,2,0,0,22,NEUTRAL,296.41,296.1776,0,0,34.14,0.68,N,0,TRUE,FALSE,FALSE,0,FALSE,0,C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,FCE24304_FCE-24304_PNU-155971_NSC-758907_Exemestane_Aromasin_,,,,,,,,
CHEMBL1200375,,2,None,None,None,None,None,None,374.27,None,None,None,None,None,NA,374.27,374.0015,None,None,None,None,None,None,TRUE,TRUE,FALSE,0,FALSE,1,O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+],Calcium Edetate Sodium_Edthamil_Sodium Calcium Edetate_E385_Calcium Disodium Versenate_Calcium Disodium Edetate_Calcium Edta_Sodium Calciumedetate_Versene Ca_Edta Calcium Disodium_Calcium Disodium Edta_,,,,,,,,
CHEMBL1200376,C05AA05_R03BA04_S02BA07_D07XC01_S01BA06_A07EA04_D07AC01_H02AB01_S03BA03_S01CB04_R01AD06_,1,3.76,1,4.18,4.18,13.41,None,496.58,6,6,2,2,36,NEUTRAL,496.58,496.2261,0,0,100.9,0.62,N,4,FALSE,FALSE,TRUE,1,FALSE,0,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccccc1)C(=O)CO,Betamethasone 17-benzoate_W 5975_Uticort_Betamethasone benzoate_W-5975_,,,,,,,,
CHEMBL1200377,,0,1.58,1,-0.67,1.8,None,10.01,268.31,1,1,1,2,10,BASE,135.21,135.1048,0,0,26.02,0.65,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(N)Cc1ccccc1.NC(CC(=O)O)C(=O)O,Amphetamine aspartate_Amfetamine aspartate_,,,,,,,,
CHEMBL1200379,,2,1.76,1,-0.16,1.21,None,9.71,281.57,2,4,3,4,15,BASE,245.11,244.0283,0,0,62.44,0.66,N,1,FALSE,FALSE,TRUE,0,FALSE,0,Cl.Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1,Aplonidine hydrochloride_Iopidine_AL-02145_Apraclonidine hcl_Apraclonidine hydrochloride_AL02145_,,,,,,,,
CHEMBL1200380,,2,-0.92,2,-0.56,-0.56,11.58,1.01,247.19,8,8,3,4,16,NEUTRAL,225.21,225.0862,0,0,119.31,0.58,N,4,FALSE,TRUE,FALSE,1,FALSE,0,Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+],BW-248U-SODIUM_BW 248U SODIUM_Aciclovir sodium_Acyclovir sodium_Zovirax_BW 248U_BW-248U SODIUM_Acyclovir sodium salt_Sodium acyclovir_Acyclovir_,,,,,,,,
CHEMBL1200382,,0,4.83,2,3.73,5.49,None,9.16,421.03,3,3,0,0,27,BASE,366.55,366.2671,0,0,15.71,0.6,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl.O,NSC-758390_Vascor_CERM 1978_Cordium_CERM-1978_Bepridil hydrochloride hydrate_Unicordium_Bepridil hydrochloride_Bepadin_,,,,,,,,
CHEMBL1200383,,1,4.42,2,2.06,4.19,None,9.54,403.54,2,2,0,0,23,BASE,307.44,307.1936,0,0,12.47,0.83,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O,Benzatropine mesilate_Cogentin_Benztropine methanesulfonate_NSC-169913_Benztropine mesilate_Benztropine mesylate_,,,,,,,,
CHEMBL1200384,H02AB01_S02BA07_A07EA04_R03BA04_C05AA05_R01AD06_S03BA03_D07AC01_D07XC01_S01BA06_S01CB04_,1,3.82,0,3.96,3.96,13.61,None,504.6,7,7,1,1,36,NEUTRAL,504.6,504.2523,1,1,106.97,0.55,N,6,FALSE,FALSE,TRUE,1,FALSE,0,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,SCH-11460_Alphatrex_Diprosone_Betamethasone dipropionate_NSC-758415_Sernivo_Betamethasone 17,21-dipropionate_Rinderon dp_Maxivate_SCH 11460_Diprolene_Diprolene af_Betamethasone (as dipropionate)_Diprospan_,,,,,,,
CHEMBL1200386,D07AC18_,1,3.7,0,3.83,3.83,None,None,488.58,8,8,1,1,35,NEUTRAL,488.58,488.241,0,0,116.2,0.56,N,6,FALSE,FALSE,TRUE,1,FALSE,0,CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,NSC-760042_LAS-41003 COMPONENT PREDNICARBATE_S-770777_HOE-777_Dermatop_LAS-189961_S 77 0777_Prednicarbate_HOE 777_LAS189961_S-77-0777_Dermatop e emollient_S-77 0777_,,,,,,,,
CHEMBL1200387,,0,1.58,1,-0.67,1.8,None,10.01,281.35,1,1,1,2,10,BASE,135.21,135.1048,0,0,26.02,0.65,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(N)Cc1ccccc1.O=C(O)CCCCC(=O)O,Amphetamine adipate_,,,,,,,,
CHEMBL1200388,,1,2.55,2,-0.98,2.3,3.75,None,475.89,6,8,2,2,29,ACID,435.89,435.0656,0,0,112.74,0.71,N,4,TRUE,FALSE,FALSE,0,FALSE,0,Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+],Cloxacillin sodium salt monohydrate_Cloxapen_Latocillin_Cloxypen_Tegopen_Ekvacillin_Methocillin-s_Sodium cloxacillin monohydrate_Orbenin_Cloxacillin sodium hydrate_Dariclox_Cloxacillin (as sodium)_BRL-1621_P-25_Cloxacillin sodium_,,,,,,,,
CHEMBL1200391,B05BB03_B05XX02_,2,-2.34,0,-4.26,-2.71,None,8.95,121.14,4,4,4,5,8,BASE,121.14,121.0739,0,0,86.71,0.34,N,3,FALSE,TRUE,FALSE,0,FALSE,0,NC(CO)(CO)CO,Tromethamine_Tris(hydroxymethyl)aminomethane_Tris-base_NSC-6365_Trizma_Trometamol_Tham_,,,,,,,,
CHEMBL1200392,,0,2.92,2,1.48,2.96,None,8.87,388.46,3,3,0,0,20,BASE,270.38,270.1732,0,0,25.36,0.81,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,Donormyl_Hoggar n_Decapryn_NSC-74772_Dormidina_Meraprina_Unisom_Doxy-sleep-aid_Doxylamine succinate_Alsodorm_Gittalun_Doxylamine hydrogen succinate_Donormil_,,,,,,,,
CHEMBL1200393,,0,2.28,2,0.08,0.08,5.68,8.77,395.86,5,6,2,2,26,ZWITTERION,359.4,359.1645,0,0,74.57,0.88,N,3,TRUE,FALSE,FALSE,0,TRUE,0,Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1.Cl,OPC-17116_Raxar_Grepafloxacin hydrochloride_Grepafloxacin hcl_,,,,,,,,
CHEMBL1200395,M03BC01_,0,3.66,2,2.69,4.17,None,8.87,461.51,2,2,0,0,20,BASE,269.39,269.178,0,0,12.47,0.79,N,6,TRUE,TRUE,FALSE,0,FALSE,0,Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,NSC-757238_Orphenadrine Citrate_Orphenadrine citrate_Norflex_Orphenadrine dihydrogen citrate_Orphenadine citrate_Orphenadrine (citrate)_,,,,,,,,
CHEMBL1200396,,0,3.9,1,3.82,4.52,13.62,8,324.9,2,3,1,1,21,NEUTRAL,288.44,288.2202,0,0,32.34,0.89,N,5,FALSE,TRUE,FALSE,0,FALSE,1,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl,Sensorcaine_AH-2250_Bupivacaine hydrochloride kit_Marcaine hydrochloride_Bupivacaine hydrochloride hydrate_Marcaine hydrochloride preservative free_Bupivacaine hydrochloride monohydrate_Bupivacaine hydrochloride rs_Bupivacaini hydrochloridum_Xaracoll_WIN-11318_Marcain_Bupivacaine hydrochloride preservative free_LAC-43_NSC-758631_Marcaine_Bupivacaine hydrochloride_Carbostesin_Bupivacaine hcl_Bupivac hcl_WIN 11,318_,,,,,,,
CHEMBL1200397,,2,5.77,3,4.51,6.17,None,9.06,353.94,1,1,0,0,24,BASE,317.48,317.2143,1,1,3.24,0.59,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,Mentax-tc_KP-363_Butenafine hydrochloride_Butenafine hcl_Lotrimin ultra_Mentax_,,,,,,,,
CHEMBL1200398,,0,6.64,3,6.51,6.55,None,6.51,474.8,3,2,0,0,25,NEUTRAL,411.79,410.0178,1,1,17.82,0.41,N,7,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O,Gynazole-1_Gynazole_Femstat_Butoconazole nitrate_RS-35887-00-10-3_RS-35887_Femstat 3_,,,,,,,,
CHEMBL1200399,,2,2.09,1,1.35,1.78,None,7.62,421.97,6,7,0,0,28,NEUTRAL,385.51,385.2478,0,0,69.64,0.55,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,MJ-9022-1_Buspirone hcl_APD405_MJ 9022-1_NSC-751138_Buspar_Buspirone hydrochloride_APD-405_NSC-759571_,,,,,,,,
CHEMBL1200400,,2,1.15,3,1.15,1.17,8.62,2.16,299.25,8,9,1,1,19,NEUTRAL,277.27,277.0382,0,0,115.42,0.43,N,3,FALSE,TRUE,FALSE,1,FALSE,1,Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[n-]c12.[Na+],Imuran_Azathioprine sodium salt_Azathioprine sodium_,,,,,,,,
CHEMBL1200402,,0,2.27,1,-0.37,1.64,None,9.45,567.06,7,7,2,3,28,BASE,408.88,408.1452,0,0,99.88,0.5,N,8,TRUE,FALSE,FALSE,0,FALSE,1,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,Norvasc_Lodipressin_Amlodipine besilate_Monopina_NSC-758922_UK-48340-26_Amlor_Antacal_UK-48,340-26_Amlodipine (as besilate)_Amlodipine benzenesulfonate_Amlodipine besylate_,,,,,,,
CHEMBL1200405,,0,5.16,3,4.15,6.3,14,9.59,557.67,6,6,2,2,34,BASE,461.56,461.2202,1,1,84.86,0.37,N,7,FALSE,FALSE,TRUE,1,FALSE,0,CS(=O)(=O)O.Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1,Tornalate_Bitolterol methanesulfonate_Tomalate_Bitolterol mesilate_WIN-32784_WIN 32,784_Bitolterol mesylate_,,,,,,,
CHEMBL1200406,,-1,None,None,None,None,None,None,469.97,None,None,None,None,None,NA,469.97,469.1881,None,None,None,None,None,None,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O,Dimenhydrinate_Dramamine_Chloranautine_Antemin_Vertigo-vomex s_NSC-117855_,,,,,,,,
CHEMBL1200409,,2,2.58,1,2.33,2.84,13.78,7.75,288.82,2,3,1,1,17,NEUTRAL,234.34,234.1732,0,0,32.34,0.85,N,5,TRUE,TRUE,TRUE,0,FALSE,1,CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl.O,Anodesyn_Calgel_Co-phenylcaine fte_Lidocaine hcl_Preparation h_Xylocaine hydrochloride_Lidocaine hydrochloride_Akten_Anestacon_Xylocaine_Xylotox e80_Lignokent_Bradosol plus_Iglu_Lidocaine hydrochloride viscous_Lignocaine hydrochloride_Laryng-o-jet kit_Alphacaine hydrochloride_Zingo_Lignospan special_Rexocaine_Lidocaine hydrochloride monohydrate_Instillagel_Lidocaine hydrochloride usp_Lta ii kit_Denela_Lidocaine hydrochloride preservative free_Lido hcl_Lignostab_Germoloids_Medijel_Laryngotracheal anesthesia kit_Lignostab n_Hemocane_Germoloids complete_Lidopen_Bismodyne_NSC-757420_Lidocaine viscous_Glydo_Lignocaine (as hydrochloride)_Laryngojet_Xylocaine dental_Emla_Lignostab-a_Lidocaini hydrochloridum_Oragard_Pediatric lta kit_Versatis_Xylocaine preservative free_Xylocaine viscous_Lidocaton_Lignostab a 100_Dequaspray_,,,,,,,,
CHEMBL1200410,,2,1.05,1,0.98,0.99,None,5.56,257.76,3,4,3,3,16,NEUTRAL,221.3,221.1528,0,0,53.16,0.65,N,5,TRUE,FALSE,FALSE,1,FALSE,1,CNNCc1ccc(C(=O)NC(C)C)cc1.Cl,Ro-46467/1_Ibenzmethyzine hydrochloride_Procarbazine hydrochloride_Natulan_NCI-C-01810_NSC-77213_Procarbazine hcl_RO-4-6467 HYDROCHLORIDE_RO 4-646711_Matulane_NCI-C 01810_Procarbazini hydrochloridum_,,,,,,,,
CHEMBL1200411,,2,2.85,1,0.36,3.06,12.27,10.17,296.84,2,3,1,1,19,BASE,260.38,260.1889,0,0,32.34,0.82,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl,Ropinirole hcl_Ropilynz xl_SK&F 101468-A_Requip_Ipinnia xl_SK&F-101468-A_Ropinirole hydrochloride_Repinex xl_Aimpart xl_Raponer xl_Ropinirole (as hydrochloride)_Spiroco xl_Adartrel_Ralnea xl_Requip xl_,,,,,,,,
CHEMBL1200412,A14AB01_S01XA11_,1,5.67,1,5.79,5.79,None,None,406.57,3,3,0,0,30,NEUTRAL,406.57,406.2508,1,1,43.37,0.6,N,4,FALSE,TRUE,FALSE,1,FALSE,0,C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1,Nortestosterone phenylpropionate_Nandrolone phenpropionate_Durabolin_Nandrolone phenylpropionate_Norandrostenolone phenylpropionate_Nortestosterone furanpropionate_,,,,,,,,
CHEMBL1200413,,0,2.11,1,-0.02,2.24,None,10.17,236.75,2,2,1,1,15,BASE,200.28,200.1313,0,0,24.39,0.74,Y,1,FALSE,FALSE,TRUE,0,FALSE,0,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,Tetryzoline hydrochloride_Tyzine_NSC-757339_Tetrahydrozoline hydrochloride_Tetrahydrozoline nitrate_Tetryzoline_,,,,,,,,
CHEMBL1200418,,0,2.96,2,1.16,2.62,10.14,9.27,337.85,4,4,4,4,22,BASE,301.39,301.1678,0,0,72.72,0.59,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl,Posiject_Dobutamine hcl_46236_NSC-299583_Dobutrex_Dobutamine hydrochloride_Dl-dobutamine hydrochloride_,,,,,,,,
CHEMBL1200419,,0,1.96,1,1.96,2.04,None,6.65,312.84,3,4,1,1,20,NEUTRAL,276.38,276.1838,0,0,45.33,0.92,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2.Cl,Moban_Molindone hydrochloride_Molindone hcl_EN-1733A_,,,,,,,,
CHEMBL1200420,,2,4.32,3,3.95,3.97,None,6.19,362.24,3,3,0,0,23,NEUTRAL,325.77,325.0782,0,0,30.18,0.65,N,1,TRUE,TRUE,FALSE,0,FALSE,1,Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cl,Rocam_Seizalam_SHP-615_Midazolam hydrochloride_Midozalam hydrochloride_Midazolam hydrochloride preservative free_RO 21-3981/003_NSC-751451_Versed_Ro-213981-003_Dormicum_Midazolam hydrochloride civ_SHP615_Midazolam hcl_Hypnovel_RO-213981001_Buccolam_,,,,,,,,
CHEMBL1200424,,2,-2.68,0,-17.92,-6.27,0.54,10.62,522.67,8,13,5,5,27,ZWITTERION,393.35,393.1383,1,0,196.22,0.18,N,16,FALSE,TRUE,TRUE,0,FALSE,1,O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Zn+2],Kelazin_Pentetate Zinc Trisodium_Zinc-dtpa_Zinc trisodium pentetate_Trisodium zinc dtpa_Pentetate zinc trisodium_,,,,,,,,
CHEMBL1200425,,2,1.75,1,1.41,2.14,None,8.05,195.69,1,1,0,0,12,NEUTRAL,159.23,159.1048,0,0,3.24,0.61,Y,3,TRUE,FALSE,FALSE,0,FALSE,0,C#CCN(C)Cc1ccccc1.Cl,Pargyline hcl_A-19120_Eutonyl_MO-911_NSC-43798_Pargyline hydrochloride_,,,,,,,,
CHEMBL1200426,,0,5.02,2,3.13,5.06,None,9.34,363.95,2,1,0,0,22,BASE,309.48,309.1551,1,1,3.24,0.77,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.Cl.O,Metixene hydrochloride_Trest_Tremaril_Methixene hydrochloride_Methixene hcl_Metixen_NSC-78194_SJ-1977_Metixene hydrochloride anhydrous_SJ 1977_Tremonil_Tremarit_Anhydrous metixene hydrochloride_,,,,,,,,
CHEMBL1200430,G03CA03_G03CA53_,1,3.83,1,3.66,3.66,None,None,314.43,3,3,1,1,23,NEUTRAL,314.43,314.1882,0,0,46.53,0.63,N,1,TRUE,FALSE,TRUE,1,FALSE,1,CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,ESTRADIOL-3-ACETATE_Estradiol acetate_Estradiol 3-acetate_Femring_Femtrace_E3A_,,,,,,,,
CHEMBL1200432,,1,0.92,1,1.18,1.41,9.29,7.22,275.73,5,5,3,4,17,NEUTRAL,239.27,239.1158,0,0,92.78,0.54,N,4,FALSE,TRUE,FALSE,1,FALSE,0,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.Cl,Methyldopate hcl_Methyldopa l-form ethyl ester hydrochloride_Methyldopate hydrochloride_Aldomet_NSC-760088_,,,,,,,,
CHEMBL1200434,R03DA02_,2,-1.04,2,-0.84,-0.81,8.44,2.44,283.33,5,6,1,1,13,NEUTRAL,180.17,180.0647,0,0,72.68,0.56,N,0,TRUE,FALSE,FALSE,0,FALSE,0,C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O,Cholinophyllin_Choline theophyllinate_NSC-760431_Theocolin_Choledyl_Oxtriphylline_Choledyl sa_Choline theophylline_Sabidal_Oxtriphylline pediatric_,,,,,,,,
CHEMBL1200436,A14AA08_,1,3.54,0,2.95,2.95,None,None,306.45,3,3,1,1,22,NEUTRAL,306.45,306.2195,0,0,46.53,0.7,N,0,TRUE,FALSE,FALSE,0,FALSE,1,C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,Vasorome_SC-11585_Oxandrolone ciii_Oxandrolone_NSC-67068_SC 11585_Anavar_Provitar_Oxandrin_Lonavar_,,,,,,,,
CHEMBL1200437,,1,3.17,2,0.86,2.51,13.89,9.05,520.58,4,4,1,1,24,BASE,324.42,324.1838,0,0,45.59,0.88,N,4,TRUE,TRUE,FALSE,0,FALSE,1,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,Quinact_Quinaglute_Gluquinate_Quinidine monogluconate, d-_NSC-757297_Duraquin_Quinalan_Quinatime_Gluconic acid quinidine salt_Quinidine mono-d-gluconate_Dura-tab_Quinidine gluconate_,,,,,,,
CHEMBL1200438,G01AF08_D01AC07_,0,5.86,3,5.26,5.3,None,6.48,387.72,4,3,0,0,23,NEUTRAL,387.72,385.9814,1,1,27.05,0.53,N,6,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,NSC-759169_Trosyl_UK-20349_Vagistat_Vagistat-1_Tz-3_Tioconazole_UK-20,349_,,,,,,,
CHEMBL1200440,,0,2.73,1,2.96,3.19,13.62,7.25,282.82,2,3,1,1,18,NEUTRAL,246.35,246.1732,0,0,32.34,0.87,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,Cc1cccc(C)c1NC(=O)C1CCCCN1C.Cl,Mepivacaine monohydrochloride_Carbocaine_Scandonest plain_NSC-758674_Isocaine hydrochloride_Polocaine_Optocain_Scandicain_Mepivacaine hcl_Scandonest_Scandicaine_Arestocaine hydrochloride_Mepivacaine hydrochloride_Polocaine-mpf_,,,,,,,,
CHEMBL1200444,,0,0.7,1,-1.78,-0.66,8.79,9.59,300.36,5,5,4,4,17,BASE,240.3,240.1474,0,0,85.61,0.62,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CC(=O)O.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,CP-24,314-14_Pirbuterol acetate_Pirbuterol monoacetate_CP-24314-14_Spirolair_Maxair_,,,,,,,
CHEMBL1200446,,2,2.65,2,1.82,3.2,None,8.76,291.83,3,3,0,0,19,BASE,255.37,255.1735,0,0,19.37,0.79,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCN(Cc1ccccc1)c1ccccn1.Cl,Pyribenzamine_Azaron_NSC-409943_Tripelennamine chloride_Vetibenzamina_Tripelennamine hydrochloride_Dehistin_Tripelennamine hcl_Pbz-sr_,,,,,,,,
CHEMBL1200448,,2,2.07,1,-3.47,1.32,1.03,None,362.58,3,6,4,4,17,ACID,318.61,317.9284,0,0,115.06,0.5,N,4,TRUE,FALSE,FALSE,0,FALSE,0,O=P([O-])(O)C(Sc1ccc(Cl)cc1)P(=O)([O-])O.[Na+].[Na+],SR 41319B_Tiludronate sodium_Skelid_SR-41319B_Tiludronate disodium anhydrous_Tiludronic acid disodium salt_Tiludronate disodium_,,,,,,,,
CHEMBL1200449,R01AD11_R03BA06_D07XB02_S01BA05_D07AB09_A01AC01_C05AA12_H02AB08_,1,1.76,0,1.12,1.12,11.73,None,478.51,8,8,2,2,34,NEUTRAL,478.51,478.2003,0,0,127.2,0.59,N,4,TRUE,TRUE,FALSE,1,FALSE,0,CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Aristocort_Triamcinolone 16,21-diacetate_Tedarol_Kenacort_Triamcinolone diacetate_Orion_NSC-757356_Polcortolon_Aristocort forte_,,,,,,,
CHEMBL1200453,D06BB11_,2,7.8,0,8.81,8.81,None,None,326.61,1,1,1,1,23,NEUTRAL,326.61,326.3549,1,1,20.23,0.23,N,20,FALSE,FALSE,TRUE,0,FALSE,0,CCCCCCCCCCCCCCCCCCCCCCO,N-docosanol_Lidakol_NSC-8407_Abreva_Stenol 1822_Behenyl alcohol_Behenic alcohol_Docosanol_,,,,,,,,
CHEMBL1200454,,0,-1.44,2,-1.55,-1.21,10.16,7.48,390.83,10,11,4,6,25,NEUTRAL,354.37,354.1652,2,0,171.37,0.41,N,8,TRUE,FALSE,FALSE,1,FALSE,1,CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21.Cl,RS-79070-194_NSC-760349_Valganciclovir hydrochloride_Valcyte_RS-079070-194_RO107-9070/194_Valganciclovir hcl_,,,,,,,,
CHEMBL1200461,,0,-0.19,1,-1.76,-0.95,13.77,8.14,290.75,5,6,3,4,18,NEUTRAL,254.29,254.1267,0,0,93.81,0.65,N,6,TRUE,FALSE,FALSE,1,FALSE,1,COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl,NSC-758429_Midon_ST-1085 HYDROCHLORIDE_ST-PETER-224_ST 1085 HYDROCHLORIDE_ST-1085 BASE_ST1085 HYDROCHLORIDE_Midodrine monohydrochloride_Midodrine hcl_Metligine_Amatine_ST-1085_Hipertan_ST 1085 [AS THE BASE]_Gutron_A-4020 LINZ_Midodrine hydrochloride_Orvaten_ST. PETER 224_Proamatine_Bramox_,,,,,,,,
CHEMBL1200463,,2,4.03,3,1.05,3.46,4.95,None,331.41,3,4,1,1,22,ACID,293.32,293.1052,0,0,63.33,0.77,N,5,TRUE,FALSE,FALSE,0,FALSE,1,O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.[K+],Daypro alta_Oxaprozin potassium_,,,,,,,,
CHEMBL1200464,,2,2.56,1,1.03,2.6,None,8.96,330.86,5,5,1,2,21,BASE,294.39,294.1943,0,0,64.79,0.56,N,9,FALSE,FALSE,TRUE,0,FALSE,0,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl,Alcaine_Ophthetic_Proxymetacaine hydrochloride_Proparacaine hydrochloride_Proxymetacaine_Paracaine_Ak-taine_Proparacaine hcl_NSC-759896_Ophthaine_Kainair_,,,,,,,,
CHEMBL1200467,,0,3.06,2,3.09,3.41,None,7.45,763.29,4,4,1,1,26,NEUTRAL,374.91,374.1761,0,0,35.94,0.72,N,8,TRUE,FALSE,FALSE,0,FALSE,0,O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,"Hy-pam_Hydroxyzine embonate_NSC-757063_Hy-Pam ""25""_Vistaril_""hy-pam """"25""""""_Hydroxyzine pamoate_",,,,,,,,
CHEMBL1200468,P03AX03_,0,2.12,0,1.86,1.86,None,None,330.36,8,6,0,0,19,NEUTRAL,330.36,330.0361,0,0,71.06,0.47,N,9,FALSE,FALSE,TRUE,0,FALSE,0,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,Derbac-m_Quellada-m_Ovide_ENT-17034_Malathion_NSC-6524_Cythion_ENT 17,034_8059HC_Prioderm_Suleo-m_Organoderm_OVIDE_,,,,,,,
CHEMBL1200469,,2,4.24,2,2.14,3.93,None,9.2,320.89,3,2,0,0,20,BASE,284.43,284.1347,0,0,6.48,0.83,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl,NSC-17468_Promazine Granules_Promazine hcl_Tranquazine_Prazine_Promazine chloride_Promazine hydrochloride_Verophene_Sparine_Protactyl_,,,,,,,,
CHEMBL1200470,,1,2.9,3,2.43,2.43,9.68,4.77,367.41,5,6,1,1,24,NEUTRAL,345.42,345.1147,0,0,77.1,0.77,N,5,FALSE,TRUE,FALSE,1,FALSE,0,COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Na+],Esomeprazole (as sodium)_Esomeprazole sodium_Nexium iv_H199/18 SODIUM_Nexium_,,,,,,,,
CHEMBL1200472,N05CD10_,2,5.03,2,5.06,5.06,None,2.59,386.8,2,2,0,0,25,NEUTRAL,386.8,386.0268,1,1,15.6,0.53,N,2,TRUE,FALSE,FALSE,0,FALSE,1,Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21,NSC-309702_Quazepam civ_Quazepam_SCH-16134_Doral_SCH 16134_,,,,,,,,
CHEMBL1200473,,0,2.18,1,1.26,2.32,None,8.42,327.85,4,4,1,1,21,NEUTRAL,291.39,291.1834,0,0,49.77,0.82,N,6,FALSE,FALSE,TRUE,0,FALSE,0,CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl,NSC-756706_Cylate_Ak-pentolate_Cyclogyl_Pentolair_Akpentolate_Cyplegin_Mydrilate_Alnide_Cyclopentolate hcl_Cyclopentolate hydrochloride_,,,,,,,,
CHEMBL1200474,,1,0.26,1,-3.61,-3.17,2.59,8.54,501.32,9,10,6,7,32,ZWITTERION,464.86,464.0986,1,1,181.62,0.33,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl,Ledermycin_NSC-756708_Demethylchlortetracycline hydrochloride_Declostatin_Declomycin_Demeclocycline hydrochloride_Demeclocycline hcl_,,,,,,,,
CHEMBL1200475,,1,1.03,2,0.91,1.34,8,9.09,719.65,11,11,5,6,38,BASE,527.53,527.1791,3,2,185.84,0.31,N,4,FALSE,TRUE,FALSE,0,FALSE,1,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.O=C(O)CC(O)(CC(=O)O)C(=O)O,Daunorubicin liposomal_Daunoxome_Daunorubicin citrate liposome_Daunorubicin citrate_,,,,,,,,
CHEMBL1200477,,2,-0.4,0,-1.89,-1.76,7.83,0.09,158.1,3,5,2,2,10,NEUTRAL,136.11,136.0385,0,0,74.43,0.52,N,0,FALSE,TRUE,FALSE,0,FALSE,0,O=c1[n-]cnc2[nH]ncc12.[Na+],NSC-108836_Aloprim_Allopurinol sodium_Allopurinol sodium salt_,,,,,,,,
CHEMBL1200478,,2,3.92,1,2.67,3.68,None,8.36,325.88,3,3,0,0,21,NEUTRAL,289.42,289.2042,0,0,29.54,0.54,N,8,FALSE,FALSE,TRUE,0,FALSE,0,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl,Dyclone_Dyclonine hydrochloride_Dyclonine hcl_Dyclonine HCl_Dyclocaine_NSC-23018_,,,,,,,,
CHEMBL1200479,,2,4.4,0,3.36,4.93,None,8.96,345.96,3,3,0,0,22,BASE,309.49,309.2668,0,0,29.54,0.65,N,7,TRUE,TRUE,FALSE,0,FALSE,0,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl,Dicycloverine hydrochloride_Bentylol_Dicyclomine Hydrochloride (Preservative-Free)_Dicyclomine hydrochloride (preservative free)_Dicyclomine hcl_Merbentyl 20_Merbentyl_Bentyl preservative free_Bentyl_Wyovin_NSC-404381_Kolantyl hydrochloride_Dicyclomine hydrochloride_,,,,,,,,
CHEMBL1200480,,1,None,None,None,None,None,None,1079.31,None,None,None,None,None,NA,1019.26,1018.4405,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)O.C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O,Sandostatin_SMS 201-995 AC_Octreolin_Octreotide acetate_Octreotide (as acetate)_SMS-201995-AC_Bynfezia pen_Mycapssa_Octreotide acetate (preservative free)_Octreotide acetate preservative free_Sandostatin lar_SMS-201-995 AC_,,,,,,,,
CHEMBL1200482,,1,-1.11,2,-4.35,-0.9,3.19,None,667.66,13,17,4,4,44,ACID,645.68,645.1424,2,2,220.26,0.14,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O.[Na+],Sodium cefoperazone_Cefoperazone sodium salt_Cefobid_CP-52,640-2_T-1551_Cefobis_CP-526402_NSC-758173_Cefoperazone (as sodium)_Cefoperazone sodium_CP-52640-2_,,,,,,,
CHEMBL1200483,,0,1.74,1,0.91,1.79,None,8.22,213.71,2,2,1,1,13,NEUTRAL,177.25,177.1154,0,0,21.26,0.71,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,CC1NCCOC1c1ccccc1.Cl,Phenmetrazine hydrochloride_Phenmetrazine hcl_NSC-405728_Phenmetrazine chloride_Preludin_Phenmetraline hydrochloride_,,,,,,,,
CHEMBL1200485,,2,5.55,3,4.34,4.34,11.55,3.03,637.04,4,7,3,3,32,NEUTRAL,464.83,464.0863,1,1,92.35,0.46,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1,Nexavar_Sorafenib tosilate_BAY-54-9085_BAY 54-9085_Sorafenib tosylate_,,,,,,,,
CHEMBL1200487,,2,3.61,1,0.16,3.66,2.8,None,325.12,3,4,1,1,19,ACID,303.14,302.0113,0,0,63.6,0.64,N,6,FALSE,TRUE,FALSE,0,FALSE,0,C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl.[Na+],Edecrin_Etacrynate sodium_Ethacrynate sodium_Sodium etacrynate_Sodium ethacrynate_Ethacrynic acid sodium salt_,,,,,,,,
CHEMBL1200490,H01CC02_,1,None,None,None,None,None,None,1431.06,None,None,None,None,None,NA,1431.06,1429.6698,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,Cetrotide_Cetrorelix_,,,,,,,,
CHEMBL1200491,,0,2.47,2,1.73,3.07,None,8.77,285.78,3,3,1,2,19,BASE,249.32,249.1266,0,0,41.62,0.78,Y,0,FALSE,FALSE,TRUE,0,FALSE,0,Cl.NC1=NCC2c3ccccc3Cc3ccccc3N12,Elestat_Relestat_WAL-801CL_WAL-802-CL_Epinastine HCl_Epinastine hydrochloride_Epinastine hcl_DE-114_WAL 801 CL_Alesion_,,,,,,,,
CHEMBL1200492,,2,3.55,3,4.48,4.65,None,7.09,506.48,7,7,0,0,33,NEUTRAL,470.02,469.2245,0,0,55.53,0.45,N,10,TRUE,FALSE,FALSE,0,FALSE,1,CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl,NSC-760344_Nefazodone hydrochloride_BMY-13754_MJ 13,754-1_Serzone_BMY 13754_Dutonin_Nefazodone hcl_MJ-13754-1_,,,,,,,
CHEMBL1200493,,2,4.99,3,3.64,5.24,None,8.99,323.87,1,1,0,0,22,BASE,287.41,287.1674,0,0,3.24,0.64,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12.Cl,NSC-760068_Naftifine hcl_AW 105-843_AW-105-843_Exoderil_NAFT-900_NAFT900_Naftin_Naftifine hydrochloride_,,,,,,,,
CHEMBL1200494,,2,1.55,1,0.49,1.74,11.64,8.65,282.56,2,4,3,4,15,BASE,246.1,245.0123,0,0,78.97,0.55,N,2,TRUE,FALSE,FALSE,0,FALSE,0,Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,Guafacine hydrochloride_Guanfacine hcl_SPD503_BS 100-141_Tenex_Estulic_Akfen_Guanfacine hydrochloride_BS-100-141_Intuniv_,,,,,,,,
CHEMBL1200495,S01CB03_S02BA01_A07EA02_H02AB09_S01BA02_A01AC03_C05AA01_D07AA02_D07XA01_,1,2.2,0,-1.78,1.54,3.66,None,484.52,7,8,3,3,33,ACID,462.54,462.2254,0,0,138.2,0.51,N,6,FALSE,TRUE,FALSE,1,FALSE,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-].[Na+],NSC-9152_SOLU-CORTEF_Cortisol 21-(sodium succinate)_Hydrocortisoni natrii succinas_Solu-cortef_A-hydrocort_Hcss_Hydrocortisone sodium succinate_Hydrocortisone 21-sodium succinate_,,,,,,,,
CHEMBL1200497,,2,3.02,2,2.68,3.55,None,8.2,356.47,2,2,0,0,20,NEUTRAL,266.39,266.1783,0,0,6.48,0.84,N,3,FALSE,TRUE,FALSE,0,FALSE,0,CC(O)C(=O)O.CN1CCN(C(c2ccccc2)c2ccccc2)CC1,Cyclizine lactate_Marezine_,,,,,,,,
CHEMBL1200498,,1,0.9,3,-0.92,-0.88,5.52,8.09,654.62,8,11,4,5,40,ACID,558.52,558.1839,2,1,159.65,0.33,N,7,FALSE,TRUE,FALSE,1,TRUE,0,CS(=O)(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21,CP-11651727_CP-116,517 -27_517-27_Trovan preservative free_CP-116_Alatrofloxacin mesilate_Alatrofloxacin mesylate_CP-116517-27_CP-116,517-27_Alatrofloxacin_,,,,,,
CHEMBL1200500,R03BA01_D07AC15_R01AD01_A07EA07_,1,4.09,0,4.43,4.43,13.81,None,521.05,7,7,1,1,36,NEUTRAL,521.05,520.2228,1,1,106.97,0.41,N,6,FALSE,FALSE,TRUE,1,FALSE,0,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C,Becodisks_Becotide 200_Asmabec spacehaler_Beclometasone dipropionate_Qvar redihaler_SGX-202_Beclometasone_Becloaqua 50_Beconase aq_Ventide_Filair fte_Asmabec clickhaler_Filair 50_SGX-201_Beconase_Becotide 100 e-breathe_Vancenase pockethaler_Aerobec 100_Becloforte-vm_Beclomethasone dipropionate monohydrate_Vanceril_Filair 100_Becloforte_Becloforte e-breathe_Fostair_Beclomet diprop_Beclomethasone_Zonivent aquanasal_Beclazone 100 e-breathe_Qvar 40_Beclazone 200_Beclomet hayfever_Beclotaide_Nasobec aq_Becloforte integra_Beclazone 250_Beclazone 100_Nasobec hayfever_SGX-203_Clenil modulite_Qnasl_NSC-755901_Propaderm fte_Vancenase_Beclazone 250 e-breathe_SCH-18020W_Becotide 50_Vivabec_Vanceril double strength_Aerobec fte 250_Beclazone 50 e-breathe_Propaderm-a_Qvar 80_Pulvinal beclomet_SCH 18020W_SCH 8020W_Aerobec 50_Clipper_Qvar 100_Qvar 50_Qvar 100 e-breathe_Propaderm_Becotide_Rino clenil_Fostair nexthaler_Beclomist_Propaderm-c_Qvar 50 e-breathe_Vancenase aq_Beclovent_Becotide 100_Becotide 50 e-breathe_Beclazone 50_Beclomethasone dipropionate_,,,,,,,,
CHEMBL1200501,,1,None,None,None,None,None,None,1329.48,None,None,None,None,None,NA,1269.43,1268.6414,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O,Novgos_Zoladex la_Fertilan_Zoladex_Goserelin acetate_Goserelin Acetate_,,,,,,,,
CHEMBL1200503,,1,3.19,2,3.8,3.89,9.69,6.71,750.71,6,10,3,3,43,NEUTRAL,654.61,653.2213,1,1,118.21,0.46,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,Parlodel_Cycloset_NSC-755915_Bromocriptine methanesulfonate_Cb-154 mesilate_Bromocriptine mesylate_CB-154_2-bromoergocryptine mesylate_CB-154 MESYLATE_Bromocriptine mesilate_,,,,,,,,
CHEMBL1200506,,1,1.79,0,1.57,2.6,12.45,8.38,1092.23,14,14,5,5,51,NEUTRAL,733.94,733.4612,2,2,193.91,0.24,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,Erythrocin_Erythromycin_Erythromycin lactobionate_Sterile erythromycin lactobionate_Erythromycini lactobionas_,,,,,,,,
CHEMBL1200509,,1,None,None,None,None,None,None,1383.58,None,None,None,None,None,NA,1323.53,1322.6673,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,Vantas_Supprelin_Histrelin acetate_Supprelin la_,,,,,,,,
CHEMBL1200510,,1,1.79,0,1.57,2.6,12.45,8.38,1018.42,14,14,5,5,51,NEUTRAL,733.94,733.4612,2,2,193.91,0.24,N,7,TRUE,FALSE,FALSE,0,FALSE,0,CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,Erythrocin_Ethril 250_Pfizer-e_NSC-756747_Erythromycin stearate_Erythrocin 500_Erythrocin stearate_Erythrocin acne pack_Bristamycin_Ethril 500_Sk-erythromycin_Erythromycini stearas_Abboticine_Erypar_Wyamycin s_,,,,,,,,
CHEMBL1200511,,1,None,None,None,None,None,None,1242.36,None,None,None,None,None,NA,1182.31,1181.573,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,Gonadorelin acetate_Fertagyl_Gonadorelin acetate mixture_Cystorelin_Hypocrine_Gonadotropin Releasing Hormone_Luteinizing_ABBOTT-41070_Lutrelef_Lutrepulse_Lutrepulse kit_Gonadorelin diacetate_GnRH_Factrel_Lh Releasing Factor_Luteinizing hormone-releasing factor diacetate tetrahydrate_,,,,,,,,
CHEMBL1200514,,2,6.76,2,-1.42,-1.42,None,None,716.6,4,8,0,0,40,NA,556.79,556.3978,2,2,59.08,0.18,N,15,FALSE,FALSE,TRUE,0,FALSE,0,CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-].[Br-],Humorsol_Demecarium bromide_BC-48_Demekastigmine bromide_Tosmilen_,,,,,,,,
CHEMBL1200515,C02AA05_,1,4.16,3,3.39,3.69,None,7.4,578.66,9,10,1,1,42,NEUTRAL,578.66,578.2628,1,1,108.55,0.41,N,7,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,Harmonyl_Deserpidine, (-)-_Recanescin_Halmonyl_Deserpidine_NSC-72138_,,,,,,,
CHEMBL1200516,,1,None,None,None,None,None,None,1218.77,None,None,None,None,None,NA,1182.31,1181.573,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.Cl,Gonadorelin hcl_AY-24,031_Luteinizing hormone-releasing factor dihydrochloride_AY-24031_Factrel_Gonadorelin hydrochloride_,,,,,,,
CHEMBL1200517,,1,2.08,3,1.84,2.71,9.69,8.39,679.8,6,10,3,3,43,NEUTRAL,583.69,583.2795,1,1,118.21,0.43,N,4,FALSE,TRUE,TRUE,0,FALSE,1,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O,Tonopan_D.h.e. 45_Dihydroergotamine Methanesulfonate_Dihydroergotamine methanesulfonate_NSC-759848_Dihydroergotamine mesilate_Diergo_Dihydergot_Dihydroergotamine mesylate_Migranal_DHE-45_,,,,,,,,
CHEMBL1200521,,2,2.2,2,-0.61,1.52,None,9.55,469.56,3,5,1,1,23,BASE,335.47,335.1667,0,0,56.41,0.88,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O,LAS 31416 D,L-MALATE ACID_Almotriptan malate_Almotriptan maleate_LAS-31416 D,L-MALATE ACID_Almogran_PNU-180638E_Almotriptan d,l-hydrogenmalate_LAS-31416_LAS-31416-D,L-MALATE-ACID_Axert_,,,,
CHEMBL1200522,,2,4.45,2,4.56,4.56,9.92,None,310.39,3,3,0,0,23,NEUTRAL,310.39,310.1569,0,0,43.37,0.61,N,5,FALSE,FALSE,TRUE,0,FALSE,0,COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1,Parsol 1789_Butyl methoxydibenzoylmethane_Eusolex 9020_Neoheliopan 357_Avobenzone_Escalol 517_NSC-758680_,,,,,,,,
CHEMBL1200523,,1,-0.64,2,-5.01,-1.52,2.84,0.26,476.5,12,12,2,2,29,ACID,454.52,454.03,1,1,156.09,0.41,N,7,FALSE,TRUE,FALSE,0,FALSE,0,Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+],Gramaxin_Totacef_Cefacidal_Cefazolin and dextrose_Cefazolin sodium_Zolicef_Cefazolin injection_46083_Cefazolin sodium salt_Cephazolin_Cefamedin_Kefzol_NSC-291561_Cefazil_Ancef_SK&F 41558_Cefamezin_,,,,,,,,
CHEMBL1200527,,0,8.07,4,-0.96,-0.96,None,None,1243.5,12,14,0,0,67,NEUTRAL,929.16,928.5074,3,3,126.44,0.04,N,24,FALSE,TRUE,FALSE,0,FALSE,0,COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1,BW 33A_Tracrium preservative free_NSC-760047_Tracrium_Atracurium dibesylate_Atracurium besylate preservative free_Atracurium Besilate_Atracurium besilate_Atracurium besylate_BW-33A_,,,,,,,,
CHEMBL1200530,,1,0.1,1,-3.12,0.29,3.39,None,449.44,8,10,3,4,28,ACID,427.46,427.0508,0,0,148.26,0.41,N,7,FALSE,TRUE,FALSE,0,FALSE,1,CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21.[Na+],Cefoxitin sodium salt_Mefoxin_Cefoxitin_Cefoxitin sodium_,,,,,,,,
CHEMBL1200531,,2,1.38,2,2.45,2.81,None,7.5,452.99,8,9,0,0,30,NEUTRAL,416.53,416.2536,0,0,85.49,0.61,N,9,FALSE,TRUE,FALSE,0,FALSE,1,CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1.Cl,R-39,209_Alfentanil_Rapifen dilute_R 39209_Rapifen conc_Alfentanil hydrochloride_Alfenta_R-39209_Rapifen_R 39,209_Alfentanil hydrochloride monohydrate_Alfentanil hydrochloride cii_Rapifen intensive care_,,,,,,
CHEMBL1200532,,0,4.24,2,2.52,3.94,None,8.81,332.9,3,2,0,0,21,BASE,296.44,296.1347,0,0,6.48,0.82,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCC(CN2c3ccccc3Sc3ccccc32)C1.Cl,Tacaryl_Methdilazine hydrochloride_Methdilazine hcl_NSC-169091_,,,,,,,,
CHEMBL1200534,,1,2.58,2,-0.08,1.5,3.46,5.2,535.04,7,9,2,2,36,ACID,498.58,498.2366,0,0,114.4,0.45,N,11,TRUE,FALSE,FALSE,1,FALSE,1,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O.Cl,Univasc_Moexipril hydrochloride_Moexipril hcl_Perdix_CI-925_CI 925_SPM-925_SPM 925_RS-10085-197_,,,,,,,,
CHEMBL1200538,A07EA04_C05AA05_S01BA06_S03BA03_D07XC01_R03BA04_S02BA07_R01AD06_S01CB04_D07AC01_H02AB01_,1,2.47,0,2.12,2.12,12.44,None,434.5,6,6,2,2,31,NEUTRAL,434.5,434.2105,0,0,100.9,0.66,N,3,FALSE,TRUE,FALSE,1,FALSE,0,CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Betamethasone 21-acetate_NSC-759196_Betamethasone acetate_,,,,,,,,
CHEMBL1200541,,2,4.64,2,-3.63,-3.63,11.48,None,608.48,2,6,2,2,36,NEUTRAL,537.58,536.2674,1,1,58.2,0.27,N,14,TRUE,FALSE,FALSE,0,FALSE,0,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-].[Cl-],Ambenonium chloride_Mytelase_,,,,,,,,
CHEMBL1200542,H02AA03_,1,4.27,0,3.77,3.77,None,None,372.51,4,4,0,0,27,NEUTRAL,372.51,372.2301,0,0,60.44,0.69,N,3,FALSE,TRUE,FALSE,1,FALSE,0,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,NSC-11319_21-hydroxyprogesterone_NSC-9567_11-deoxycorticosterone_Desoxycortone_Desoxycorticosterone_Deoxycorticosterone acetate_Deoxycorticosterone_Doca_11-deoxycorticosterone acetate_Desoxycortone acetate_Deoxycortone_Percorten_Desoxycorticosterone acetate_,,,,,,,,
CHEMBL1200543,,2,3.41,2,2.15,3.64,None,8.88,450.47,4,4,1,2,26,BASE,352.48,352.2151,0,0,55.56,0.64,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.O=P(O)(O)O,Anileridine phosphate_Leritine_Leritine phosphate_,,,,,,,,
CHEMBL1200544,J01DB01_,1,0.44,1,-2.5,-2.14,3.26,7.23,365.41,5,7,3,4,24,ACID,347.4,347.094,0,0,112.73,0.68,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O,Cephalexin monohydrate_66873_Tenkorex_Cefanex_Cefalexin_Cefalexin hydrate_Kiflone_NSC-758162_Panixine disperdose_Cephalexin_Ceporex_Keflex_Keflet_LY-66873_Cefalexin monohydrate_,,,,,,,,
CHEMBL1200545,D07AC10_,1,2.99,0,2.22,2.22,13.58,None,494.53,7,7,1,1,35,NEUTRAL,494.53,494.2116,0,0,106.97,0.6,N,4,FALSE,FALSE,TRUE,1,FALSE,0,CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,U-34865_U-34,865_Diflorasone diacetate_Psorcon e_Murode_Psorcon_Florone_Diflorasone_Florone e_,,,,,,,
CHEMBL1200549,,1,6.91,0,0.1,2.32,None,9.65,677.81,5,6,0,0,43,BASE,597.91,597.4626,2,2,55.84,0.18,N,7,FALSE,TRUE,FALSE,0,TRUE,0,C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1.[Br-],ORG-9487_ORG 9487_Rapacuronium bromide_Raplon_,,,,,,,,
CHEMBL1200550,,2,2.69,2,1.13,2.88,None,9.24,363.35,3,3,1,1,20,BASE,265.36,265.1579,0,0,27.63,0.9,N,5,FALSE,FALSE,TRUE,0,FALSE,0,O=P(O)(O)O.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,Antazoline phosphate_NSC-755865_,,,,,,,,
CHEMBL1200554,,1,None,None,None,None,None,None,1699.85,None,None,None,None,None,NA,1311.47,1310.6309,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,Trelstar_Salvacyl_Triptorelin pamoate_Triptorelin (as embonate)_Triptodur kit_Triptorelin embonate_,,,,,,,,
CHEMBL1200556,,1,None,None,None,None,None,None,1129.29,None,None,None,None,None,NA,1069.24,1068.427,None,None,None,None,None,None,TRUE,TRUE,TRUE,0,FALSE,1,CC(=O)O.N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,Desmospray_Desmomelt_Stimate (needs no refrigeration)_Noctiva_Anhydrous desmopressin acetate_Nocdurna_Ddavp (needs no refrigeration)_Desmopressin acetate trihydrate_Octim_Desmotabs_Presinex_Desmopressin acetate (needs no refrigeration)_Nocutil_Desmopressin acetate_Desmopressin acetate anhydrous_Noqdirna_Ddavp_Minirin_Desmopressin acetate hydrate_Desmopressin acetate preservative free_Octostim_Stimate_Concentraid_,,,,,,,,
CHEMBL1200558,D06AX05_J01XX10_R02AB04_,1,None,None,None,None,None,None,1422.72,None,None,None,None,None,NA,1422.72,1421.7489,None,None,None,None,None,None,FALSE,TRUE,TRUE,0,FALSE,1,CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1,Baci-rx_Baciguent_Baciim_Bacitracinum_Parentracin_Baciferm 50_Bacitracin(non-injectable)_Albac 50_Penitracin_Bacitracin, sterile_Bacilliquin_Tropitracin_Topitracin_Bacitracin_Zutracin_Fortracin_E700_NSC-755905_,,,,,,,
CHEMBL1200559,G01AD01_,0,-0.55,0,-3.74,-0.47,3.78,None,90.08,2,3,2,2,6,ACID,90.08,90.0317,0,0,57.53,0.45,Y,1,FALSE,TRUE,FALSE,0,FALSE,0,CC(O)C(=O)O,Lacticum acidum_Lactic acid_E-270_Lactic acid,buffered_Lactic acid, dl-_E270_PURAC FCC 80_Acidum lacticum_INS NO.270_Milk acid_Lactate_E 270_L-lactic acid or dl-lactic acid_NSC-367919_Lurex_HIPURE 88_Racemic lactic acid_Lactic acid, unspecified form_Tonsillosan_PURAC FCC 88_Dl-lactic acid_INS-270_Ordinary lactic acid_FEMA NO. 2611_Dl- lactic acid_,,,,,
CHEMBL1200560,,2,1.81,1,1.34,2.18,None,8.18,291.14,2,4,3,4,14,NEUTRAL,231.09,230.0126,0,0,74.26,0.41,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)O.N=C(N)N/N=C/c1c(Cl)cccc1Cl,Guanabenz acetate_Wytensin_Guanabenz monoacetate_NSC-757044_WY-8678_WY-8678 ACETATE_,,,,,,,,
CHEMBL1200561,,0,1.72,3,1.91,2.14,12.67,7.24,547.59,9,10,1,2,33,NEUTRAL,451.48,451.1856,0,0,112.27,0.63,N,4,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O,Doxazosin methanesulfonate_NSC-759284_Cascor_UK-33,274-27_Colixil xl_Doxazosin (as mesilate)_UK-33274-27_Slocinx xl_Doxazosin mesilate_Raporsin xl_Cardozin xl_Cardura xl_Doxazosin mesylate_Doxzogen xl_Larbex xl_Doxadura_Oxandosin xl_Alfadil_Cardura_,,,,,,,
CHEMBL1200562,A01AC03_C05AA01_S02BA01_H02AB09_S01CB03_A07EA02_D07AA02_D07XA01_S01BA02_,1,3.52,0,3.31,3.31,13.75,None,446.58,6,6,2,2,32,NEUTRAL,446.58,446.2668,0,0,100.9,0.61,N,6,FALSE,FALSE,TRUE,1,FALSE,0,CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,NSC-759133_Westcort_Hydrocortisone valerate_Hydrocortisone 17-valerate_Cortisol 17-valerate_,,,,,,,,
CHEMBL1200563,,1,4.88,2,1.15,2.67,4.05,5.58,481.54,5,6,3,3,33,ACID,459.56,459.2421,0,0,99.88,0.44,N,11,TRUE,FALSE,FALSE,0,TRUE,0,COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1.[Na+],Cerivastatin sodium_BAY W 6228_BAY-W-6228_Cerivastatin sodium salt_Baycol_,,,,,,,,
CHEMBL1200569,,2,-1.03,2,-0.55,-0.55,None,None,386.32,6,6,0,0,14,NEUTRAL,194.19,194.0804,0,0,61.82,0.54,N,0,TRUE,TRUE,FALSE,0,FALSE,0,Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O,Peyona_Caffeine, citrated_Caffeine mixture with citric acid_Cafcit_Citrated caffeine_Caffeine citrate_,,,,,,,
CHEMBL1200578,,-1,None,None,None,None,None,None,277.22,None,None,None,None,None,NA,255.23,255.0968,None,None,None,None,None,None,TRUE,FALSE,FALSE,0,FALSE,0,Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCC(=O)[O-].[Na+],Asbron_Theophylline sodium glycinate_Theonate sodium_Panophylline_Synophylate_Glytheonate_Bronchoparat_Glycin theophyllinate_Englate_,,,,,,,,
CHEMBL1200580,J04BA03_,0,1.7,2,-3.26,1.27,1.7,None,448.45,6,8,4,4,25,ACID,404.49,404.017,0,0,132.8,0.49,N,8,TRUE,FALSE,FALSE,0,FALSE,0,O=S([O-])CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)[O-])cc2)cc1.[Na+].[Na+],Sulfoxone sodium_Aldesulfone sodium_Aldesulphone sodium_Diasone sodium_NSC-27222_,,,,,,,,
CHEMBL1200582,,2,-0.62,0,-3.37,-3.25,4.05,7.84,167.59,3,4,2,3,9,ACID,131.13,131.0582,0,0,80.39,0.53,N,4,FALSE,FALSE,TRUE,0,FALSE,0,Cl.NCC(=O)CCC(=O)O,Aminolevulinic acid hydrochloride_.delta.-aminolevulinic acid hydrochloride_Alaglio_Gleolan_Levulan_Aminolevulinic acid hcl_NPC-07_NSC-18509_Ameluz_Alabel_5 ala hcl (trivial name)_Gliolan_,,,,,,,,
CHEMBL1200584,,2,0.67,1,-2.23,0.83,3.68,2.19,191.23,3,4,3,4,11,ACID,153.14,153.0426,0,0,83.55,0.52,N,1,TRUE,FALSE,FALSE,0,FALSE,0,Nc1ccc(C(=O)[O-])c(O)c1.[K+],Paskalium_Potassium aminosalicylate_Aminosalicylate potassium_,,,,,,,,
CHEMBL1200585,A14AA05_,1,4.4,0,3.54,3.55,8.87,None,332.48,3,3,2,2,24,NEUTRAL,332.48,332.2351,0,0,57.53,0.51,N,0,TRUE,FALSE,FALSE,0,FALSE,1,C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,Anadrol_NSC-26198_Oxymetholone ciii_Oximetholone_CI-406_Pardroyd_Oxymetholone_Anadrol-50_HMD_NSC-26,198_Anapolon_Anapolon 50_Anasteron_,,,,,,,
CHEMBL1200586,,0,2.32,1,1.25,2.68,13.51,8.82,256.78,2,3,2,2,16,BASE,220.32,220.1576,0,0,41.13,0.8,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CCCNC(C)C(=O)Nc1ccccc1C.Cl,Citanest_ASTRA 1512_Citanest plain_Propitocaine hydrochloride_Citanest plain dental_NSC-758432_Xylonest_Prilocaine hcl_Prilocaine hydrochloride_Citanest hydrochloride_L-67_,,,,,,,,
CHEMBL1200588,,1,0.39,0,0.65,1.04,12.41,7.55,461.45,7,7,4,4,27,NEUTRAL,424.99,424.1799,0,0,102.26,0.44,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl,Sobelin_NSC-756696_Antirobe_Clinsol_Cleocin_Clindamycin hcl_Clindamycin (as hydrochloride)_Cleocin hydrochloride_Clindamycin HCl_Clindamycin hydrochloride_U-25179E_Clintabs_Dalacin c_,,,,,,,,
CHEMBL1200589,,1,-0.65,2,-3.11,-3.09,2.84,8.34,562.1,13,13,3,4,34,ACID,525.64,525.1035,2,2,172.46,0.26,N,10,FALSE,TRUE,FALSE,0,FALSE,0,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl,CGP-14221/E_NSC-758164_SCE-963_Cefotiam dihydrochloride_Cefotiam hcl_Ceradon_ABBOTT-48999_SCE 963_Pansporin_Cefotiam hydrochloride_Cefotiam hexetil hydrochloride_,,,,,,,,
CHEMBL1200592,H02AA03_,1,5.29,0,5.57,5.57,None,None,414.59,4,4,0,0,30,NEUTRAL,414.59,414.277,1,1,60.44,0.59,N,3,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,Desoxycorticosterone pivalate_Desoxycorticosterone trimethylacetate_Percorten_,,,,,,,,
CHEMBL1200595,,2,2.62,1,0.07,2.69,None,10.24,220.14,1,1,1,2,12,BASE,183.68,183.0815,0,0,26.02,0.75,Y,2,TRUE,FALSE,FALSE,0,TRUE,0,CC(C)(N)Cc1ccc(Cl)cc1.Cl,Chlorphentermine hcl_Pre-sate_NSC-76098_S-62_W 2426_Chlorphentermine hydrochloride_W-2426_,,,,,,,,
CHEMBL1200596,,2,3.25,2,2.46,3.04,6.95,3.4,214.05,2,2,1,1,13,NEUTRAL,214.05,212.9748,0,0,33.12,0.73,N,0,FALSE,FALSE,TRUE,0,FALSE,0,Oc1c(Cl)cc(Cl)c2cccnc12,Capitrol_NSC-3904_Chloroxine_,,,,,,,,
CHEMBL1200597,,0,3.75,1,3.25,4.46,13.62,8.59,312.89,2,3,1,1,20,BASE,276.42,276.2202,0,0,32.34,0.82,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C.Cl,Duranest_W-19053_Etidocaine hydrochloride_Duranest hydrochloride_Etidocaine hcl_,,,,,,,,
CHEMBL1200598,L02AA04_,2,4.36,2,-2.33,3.89,1.49,None,428.31,4,8,4,4,28,ACID,428.31,428.079,0,0,133.52,0.36,N,8,TRUE,TRUE,FALSE,1,FALSE,0,CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1,Stilphostrol_Fosfestrol_Diethylstilbestrol diphosphate_,,,,,,,,
CHEMBL1200599,,2,5,3,2.65,2.65,3.38,9.41,461,3,4,1,1,32,ZWITTERION,424.54,424.2151,1,1,64.33,0.58,N,7,TRUE,FALSE,FALSE,0,FALSE,0,Cl.N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1,R 15,403_Difenoxin hcl_Difenoxin hydrochloride_R-15403_Difenoxine hydrochloride_,,,,,,,
CHEMBL1200600,S01BA07_D07XB04_D07AB06_D10AA01_S01CB05_C05AA06_,1,2.92,0,2.42,2.42,12.65,None,376.47,4,4,2,2,27,NEUTRAL,376.47,376.205,0,0,74.6,0.74,N,1,FALSE,FALSE,TRUE,0,FALSE,0,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Fml-neo_Fluorometholone_Fml forte_Fluor-op_Fml fte_Oxylone_Fluaton_NSC-33001_,,,,,,,,
CHEMBL1200601,,2,2.07,2,-0.34,1.44,11.55,9.18,371.93,3,5,2,2,23,BASE,335.47,335.1667,0,0,65.2,0.88,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.Cl,Naratriptan hydrochloride_GR-85548A_Naratriptan hcl_Naratriptan_Amerge_GR 85548A_Naramig_,,,,,,,,
CHEMBL1200604,S01FA06_S01FA56_,0,2.21,2,1.38,1.38,None,5.02,284.36,3,4,1,1,21,NEUTRAL,284.36,284.1525,0,0,53.43,0.88,N,6,FALSE,FALSE,TRUE,0,FALSE,0,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,Nods_Tropicacyl_Visumidriatic_RO-1-7683_Tropicamide_Mydriacyl_Bistropamide_Tropicamidum_NSC-757372_Mydriafair_,,,,,,,,
CHEMBL1200606,,0,2.03,1,0.39,2.46,None,9.52,215.72,2,2,1,2,13,BASE,179.26,179.131,0,0,35.25,0.77,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,Cc1cccc(C)c1OCC(C)N.Cl,Katen_Mexitil_Mexiletine hydrochloride_KO 1173 CL_Mexiletine hcl_KO-1173 CL_KO-1173_NSC-758639_KO-1173-CL_Mexitil p.l._,,,,,,,,
CHEMBL1200609,,1,3.33,2,0.83,3.15,None,9.77,425.48,4,4,1,1,24,BASE,329.37,329.1427,0,0,39.72,0.93,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CS(=O)(=O)O.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,PO-T.MES_Brisdelle_Paroxetine methanesulphonate_Paroxetine mesylate_POT.MES_Paroxetine methanesulfonate_Paroxetine mesilate_Mesafem_Pexeva_,,,,,,,,
CHEMBL1200610,J01DC08_,1,0.71,1,-2.76,-2.4,2.93,7.23,367.79,4,7,3,4,24,ACID,349.77,349.0829,0,0,112.73,0.69,N,4,TRUE,FALSE,FALSE,0,FALSE,0,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1.O,Lorabid_LY-163892 MONOHYDRATE_Loracarbef monohydrate_LY163892 MONOHYDRATE_Loracarbef_,,,,,,,,
CHEMBL1200612,,2,3.49,2,2.05,3.7,None,9.04,379.93,4,5,1,1,25,BASE,343.47,343.226,0,0,54.46,0.67,N,10,FALSE,TRUE,FALSE,0,FALSE,0,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.Cl,Nupercainal_Cinchocaine hydrochloride_Nupercaine_Dibucaine hcl_Dibucaine hydrochloride_Heavy solution nupercaine_Cincaine chloride_NSC-756724_,,,,,,,,
CHEMBL1200613,,2,2.19,2,-0.47,2.73,3.93,None,279.27,3,4,1,1,19,ACID,257.29,257.1052,0,0,59.3,0.85,N,4,TRUE,FALSE,FALSE,0,FALSE,1,Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+],NSC-757341_Tolmetin sodium anhydrous_MCN-2559-21-98_Sodium tolmetin_Tolmetin sodium dihydrate_Tolectin_Tolmetin sodium salt dihydrate_Tolmetin sodium_Tolectin ds_Tolectin 600_,,,,,,,,
CHEMBL1200616,,2,-0.06,1,-1,-0.31,6.49,None,317.71,5,7,2,3,17,ACID,295.73,294.9488,0,0,118.69,0.75,N,1,FALSE,TRUE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O.[Na+],Chlorothiazide sodium salt_Diuril_Chlorothiazide sodium_,,,,,,,,
CHEMBL1200617,H02AB12_S01BA13_,1,4.5,0,4.38,4.38,None,None,370.53,3,3,1,1,27,NEUTRAL,370.53,370.2508,0,0,54.37,0.78,N,2,FALSE,FALSE,TRUE,0,FALSE,0,CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,Vexol_Rimexolone_ORG-6216_ORG 6216_Rimexolon_,,,,,,,,
CHEMBL1200618,,0,5.51,3,2.93,2.94,4.04,9.01,538.13,4,5,3,3,37,ZWITTERION,501.67,501.2879,2,2,81,0.34,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl,Fexofenadine hydrochloride_MDL-16455A_Children's allegra allergy_Allegra hives_Children's fexofenadine hydrochloride allergy_Fexofenadine hcl_Telfast 30_Allegra_Children's allegra hives_Children's fexofenadine hydrochloride hives_MDL 16,455A_Telfast 120_Telfast 180_Allegra allergy_Fexofenadine hydrochloride hives_Fexofenadine hydrochloride allergy_,,,,,,,
CHEMBL1200621,,0,0.97,2,-0.91,-0.91,5.35,9.23,485.49,8,9,2,3,28,ZWITTERION,389.39,389.1499,0,0,123.04,0.73,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O,Gemifloxacin mesilate_LB-20304A_Gemifloxacin methanesulfonate_Gemifloxacin mesylate_Factive_LB 20304A_SB-265805-S_,,,,,,,,
CHEMBL1200622,H05BX02_,1,5.56,0,4.26,4.26,None,None,416.65,3,3,3,3,30,NEUTRAL,416.65,416.329,1,1,60.69,0.51,N,5,TRUE,TRUE,FALSE,0,FALSE,0,C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O,COMPOUND 49510_COMPOUND-49510_Paricalcitol_Zemplar_,,,,,,,,
CHEMBL1200623,A14AB02_,1,5.09,0,4.69,4.69,None,None,288.48,1,1,1,1,21,NEUTRAL,288.48,288.2453,1,1,20.23,0.67,N,1,TRUE,FALSE,FALSE,0,FALSE,0,CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,NSC-37726_Ethylestrenol_Durabolin-o_Maxibolin_Ethyloestrenol_Duraboral_Orabolin_Ethylnandrol_,,,,,,,,
CHEMBL1200624,G03DC06_,1,4.43,0,3.69,3.69,None,None,384.52,4,4,0,0,28,NEUTRAL,384.52,384.2301,0,0,52.6,0.4,N,2,TRUE,FALSE,FALSE,1,FALSE,0,C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C,Etynodiol_Etynodiol diacetate_NSC-759288_Femulen_Ethynodiol diacetate_Etynodiol acetate_SC 11800_SC-11800_,,,,,,,,
CHEMBL1200625,V10BX01_,2,None,None,None,None,None,None,159.81,None,None,None,None,None,NA,158.53,157.8433,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,[89Sr+2].[Cl-].[Cl-],SMS-2PA_Strontium-89 chloride_Strontium (89 sr) chloride_89sr_Strontium 89 chloride_Strontium chloride, sr-89_Metastron_SMS2PA_Strontium (89sr) chloride_Strontium chloride sr-89_Strontium (89Sr) Chloride_Strontium chloride sr 89_,,,,,,,
CHEMBL1200628,,1,None,None,None,None,None,None,1485.73,None,None,None,None,None,NA,1449.27,1447.4302,None,None,None,None,None,None,TRUE,TRUE,FALSE,0,FALSE,1,CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.Cl,Vancocin_NSC-757377_Vancomycin hcl_Firvanq kit_Vancor_Vancoled_Vancomycin monohydrochloride_Vancomycin hydrochloride_Vancomycin (as hydrochloride)_Vancocin matrigel_Vancocin hydrochloride_Firvanq_Vanoled_Vancomycin, monohydrochloride_,,,,,,,
CHEMBL1200629,,1,5.97,0,-1.34,0.89,None,9.65,637.74,5,6,0,0,40,BASE,557.84,557.4313,2,2,55.84,0.32,N,4,FALSE,TRUE,FALSE,0,FALSE,1,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-],Musculax_ORG-NC 45_NSC-759184_ORG NC 45_Pancuronium bromide impurity, vecuronium bromide -_Norcuron_Vecuronium bromide_,,,,,,,
CHEMBL1200632,D10AF51_,1,6.42,0,7.58,7.96,12.59,7.55,699.87,8,8,3,3,44,NEUTRAL,663.41,662.4095,2,2,108.33,0.07,N,22,TRUE,FALSE,FALSE,1,FALSE,1,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC.Cl,U-25,179 E_Cleocin_Clindamycin palmitate hydrochloride_NSC-759141_U-25179-E_U-25179E_Clindamycin palmitate hcl_,,,,,,,
CHEMBL1200633,P02CF01_D11AX22_,1,None,None,None,None,None,None,1736.18,None,None,None,None,None,NA,1736.18,1735.0001,None,None,None,None,None,None,TRUE,FALSE,TRUE,0,FALSE,0,CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O,Noramectin_Ivertin_Ivectin_Heartgard_L 640471_Phoenectin_Bimectin_MK 933_Sklice_Heartguard_Ivermectin b1a_Acarexx_Ivermectin component b1a_Bovinet_22,23-dihydroavermectin b1a_Zimecterin_Soolantra_Pandex_22,23-dihydroavermectin b1_CD-5024_Equimec_Uvemec_Eqvalan_Cevamec_22,23-dihydro c-076b1_Cardomec_Oramec_Ivermectin_Ivosint_Mectizan_Hyvermectin_22,23-dihydroabamectin_Dihydroavermectin b1a_Jetamec_Ivomec_NSC-755843_MK-933_Cardotek 30_Noromectin_Vermic_CD5024_Stromectol_L-640471_Vetmec_,,,,
CHEMBL1200635,,1,2.67,0,2.28,2.32,12.61,6.43,512.09,7,7,2,2,34,NEUTRAL,475.63,475.2934,0,0,104.14,0.55,N,7,FALSE,FALSE,TRUE,1,FALSE,0,CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.Cl,Hydrocortamate chloride_Magnacort_Hydrocortamate hydrochloride_Hydrocortamate hcl_NSC-12884_,,,,,,,,
CHEMBL1200636,,2,4.55,2,2.28,4.61,None,9.76,311.86,1,1,0,0,21,BASE,275.4,275.1674,0,0,3.24,0.68,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl,Flexeril_MK-130 [AS THE BASE]_MK-130_Cyclobenzaprine hydrochloride_Amrix_NSC-169900_Cyclobenzaprine hcl_NSC-173379_NSC-78206_MK-130 HYDROCHLORIDE_,,,,,,,,
CHEMBL1200638,,1,3.93,2,1.68,3.75,None,9.48,435.32,2,2,0,0,19,BASE,319.25,318.0732,0,0,16.13,0.83,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,Dexbrompheniramine fumarate_Dexbrompheniramine maleate_Disomer_Brompheniramine d-form maleate_,,,,,,,,
CHEMBL1200641,,1,8.07,4,-0.96,-0.96,None,None,1243.5,12,14,0,0,67,NEUTRAL,929.16,928.5074,3,3,126.44,0.04,N,24,FALSE,TRUE,FALSE,0,FALSE,0,COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1,51-W-89_51W89_Nimbex_51 W89_51W-89_Cisatracurium besilate_Cisatracurium (as besilate)_51-W89_Nimbex preservative free_Cisatracurium besylate preservative free_Cisatracurium besylate_,,,,,,,,
CHEMBL1200644,,1,None,None,None,None,None,None,1728.09,None,None,None,None,None,NA,1508.27,1506.9513,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,1,CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)[O-])[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],Fondaparinux sodium_ORG-31540_IC-851589_SR-90107A_Fondaparinux sodium identification_Fondaparin sodium_SR 90107A_Fondaparinux sodium for assay_Quixidar_ORG 31540_Arixtra_,,,,,,,,
CHEMBL1200645,L01CB01_,1,1.1,2,-2.86,0.51,1.46,None,668.54,14,16,4,4,46,ACID,668.54,668.1506,2,2,207.36,0.24,N,7,FALSE,TRUE,FALSE,1,FALSE,0,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O,VP16_VP-16_Vepeside_Etopophos preservative free_BMY 40481_BMY-40481_Etoposide phosphate_Etopophos_,,,,,,,,
CHEMBL1200647,G01AA04_,0,None,None,None,None,None,None,1109.32,None,None,None,None,None,NA,1109.32,1108.5719,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1,Candicidin_Vanobid_,,,,,,,,
CHEMBL1200648,M03AC09_,1,4.41,0,-1,-0.33,None,7.96,609.69,5,6,1,1,38,NEUTRAL,529.79,529.4,1,1,59,0.32,N,5,FALSE,TRUE,FALSE,0,FALSE,0,C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-],ORG 9426_ORG-9426_Zemuron_Rocuronium bromide_Esmeron_,,,,,,,,
CHEMBL1200649,,1,None,None,None,None,None,None,1022.24,None,None,None,None,None,NA,1022.24,1021.4732,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O,RP-57669_RP 57669_Quinupristin_,,,,,,,,
CHEMBL1200654,,2,2.95,1,1.48,3.05,None,8.96,344.88,5,5,1,2,22,BASE,308.42,308.21,0,0,64.79,0.41,N,10,FALSE,FALSE,TRUE,0,FALSE,0,CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl,Benoxinate hydrochloride_Oxybuprocaine hydrochloride_NSC-759847_Oxybuprocaine hcl_Benoxinate hcl_Oxibuprocaine chloride_,,,,,,,,
CHEMBL1200656,S01AA10_D01AA02_A07AA03_A01AB10_G01AA02_,1,0.12,0,-1.7,-1.69,3.69,9.11,665.73,13,14,7,8,47,ZWITTERION,665.73,665.3047,3,3,230.99,0.16,N,3,FALSE,FALSE,TRUE,0,FALSE,0,C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O,Mycophyt_E235_Tennecetin_Natacyn_Myprozine_CL-12625_Pimafucin_Pimaricin_Pimaracin_INS NO.235_ANTIBIOTIC A-5283_Delvocid_Synogil_CL 12,625_NSC-759167_E-235_INS-235_Natamycin_,,,,,,,
CHEMBL1200659,,1,1.6,1,-1.06,0.59,3.67,5.2,492.53,5,7,2,2,27,ACID,376.45,376.1998,0,0,95.94,0.64,N,9,TRUE,FALSE,FALSE,1,FALSE,1,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\C(=O)O,Pralenal 5_Enapren_Enalapril maleate_Pralenal 20_Pralenal 2.5_Vasotec_Epaned kit_Pralenal 10_Ednyt_MK-421_Innovace_NSC-758143_Renitec_Epaned_Xanef_,,,,,,,,
CHEMBL1200660,,1,-1.49,0,-1.41,-1.41,13.03,None,146.14,4,4,2,2,10,NEUTRAL,146.14,146.0579,0,0,58.92,0.44,N,0,TRUE,FALSE,FALSE,0,FALSE,0,O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,NSC-40725_Isosorbide_Isobide_D-glucitol,1,4:03,6-dianhydro-_Ismotic_AT-101_1,4:03,6-dianhydro-d-glucitol_,,,
CHEMBL1200661,S01EE02_,1,5.12,0,4.83,4.83,None,None,424.62,5,5,2,2,30,NEUTRAL,424.62,424.3189,1,1,83.83,0.2,N,16,FALSE,FALSE,TRUE,1,FALSE,0,CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C,Unoprostone isopropyl ester_Unoprostone isopropyl_Unoprostone Isopropyl_Rescula_Isopropyl unoprostone_UF-021_,,,,,,,,
CHEMBL1200665,,2,5.48,3,4.76,5.88,None,8.5,489.06,4,4,0,0,34,NEUTRAL,452.6,452.2464,1,1,53.33,0.42,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.Cl,Diphenoxylate hydrochloride cii_Diphenoxylate HCl_Diphenoxylate hydrochloride_R-1132 (ANTIPERISTALTIC)_Diphenoxylati hydrochloridum_Diphenoxylate hcl_,,,,,,,,
CHEMBL1200666,D05AX02_D05AX52_,1,5.09,0,3.84,3.84,None,None,412.61,3,3,3,3,30,NEUTRAL,412.61,412.2977,1,1,60.69,0.55,N,5,FALSE,FALSE,TRUE,0,FALSE,0,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O,Calcipotriene_Calcipotriene hydrate_Calcipotriol anhydrous_Enstilar_MC 903_Sorilux_Xamiol_Calcipotriol hydrate_Dovobet_MC-903_Calcipotriol_Calcipotriol monohydrate_PRI-2201_Calcipotriene monohydrate_Dovonex_Calciptriol_,,,,,,,,
CHEMBL1200670,,1,-2.3,2,-5.57,-4.63,3.8,11.47,990.13,12,23,13,14,65,ZWITTERION,912.06,911.4977,3,3,355.05,0.03,N,25,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)O.CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C.O,Saralasin acetate_Sarenin_Saralasin hydrated acetate_P-113_,,,,,,,,
CHEMBL1200671,,1,None,None,None,None,None,None,1382.55,None,None,None,None,None,NA,1322.5,1321.6356,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,RS-94991_Nafarelin acetate_RS-94991-298_Nasanyl_Nafarelin acetate anhydrous_Synarel_Nafarelin acetate hydrate_,,,,,,,,
CHEMBL1200672,,1,0.33,3,-2.91,0.15,3.19,3.85,634.63,13,15,5,5,42,ACID,612.65,612.1209,2,2,212.76,0.16,N,9,FALSE,TRUE,FALSE,0,FALSE,0,Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1.[Na+],WY-44,635 SODIUM_Sepatren_Cefpiramide sodium salt_Suncefal_Cefpiramide sodium_WY-44635_,,,,,,,
CHEMBL1200675,,2,6.22,3,4.89,6.27,None,8.76,598.09,2,2,0,0,29,BASE,405.97,405.1859,1,1,12.47,0.31,N,9,TRUE,FALSE,FALSE,1,FALSE,1,CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,NSC-613680_Fareston_FC-1157A_Toremifene citrate_,,,,,,,,
CHEMBL1200678,,1,4.21,3,4.54,4.54,11.92,4.42,802.95,9,13,5,5,51,NEUTRAL,704.87,704.3897,2,1,171.22,0.15,N,14,TRUE,FALSE,FALSE,0,FALSE,0,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,BMS-232632-05_Atazanaviri sulfas_Atazor_Reyataz_NSC-742546_Atazanavir sulphate_Atazanavir so4_Atazanavir sulfate_,,,,,,,,
CHEMBL1200680,D01AE13_,2,None,None,None,None,None,None,143.09,None,None,None,None,None,NA,143.09,143.8607,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,S=[Se]=S,Selenium sulfide (ses(sub 2))_Selenium disulfide_Selsun_Exsel_Selenium sulfide_Selenium sulphide (ses2)_Selenium sulphide, micronized_Lenium_Selenii disulfidum_Seledruff_Selenium sulfide, micronized_,,,,,,
CHEMBL1200681,,1,8.95,4,5.8,8.49,4.4,3.12,608.18,4,4,2,2,41,ACID,586.2,585.2104,2,2,70.42,0.17,N,12,TRUE,FALSE,FALSE,0,FALSE,1,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+],Montelukast (as sodium)_Singulair_Montelukast monosodium salt_Montelukast sodium_NSC-759107_MK-476_,,,,,,,,
CHEMBL1200682,N01AX11_N07XX04_,2,-0.16,0,-3.37,-0.51,4.44,None,126.09,2,3,2,2,7,ACID,104.11,104.0473,0,0,57.53,0.52,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,O=C([O-])CCCO.[Na+],WY-3478_Oxybate sodium_Xyrem_Sodium oxybutyrate_Catabate_NSC-84223_Sodium oxybat_Sodium oxybate_.gamma.-hydroxybutyrate sodium salt_,,,,,,,,
CHEMBL1200686,D11AH02_,1,5.72,0,6.81,6.81,9.96,None,810.47,11,12,2,2,56,NEUTRAL,810.47,809.4481,3,3,158.13,0.15,N,6,FALSE,FALSE,TRUE,0,FALSE,1,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,Pimecrolimus_SDZ-ASM 981_SDZ ASM-981_SDZ ASM 981_SDZ-ASM-981_Elidel_,,,,,,,,
CHEMBL1200688,,1,2.68,0,2.77,3.37,12.68,7.87,862.06,17,17,4,4,60,NEUTRAL,862.06,861.5086,2,2,226.28,0.16,N,12,TRUE,FALSE,FALSE,1,FALSE,0,CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C,Erythroped fte sf_Erythroped sf_Erythroped fte_Erymin_Erythroped_Erythromycin ethyl succinate_Pediamycin_E.e.s. 200_Primacine_E-mycin_Pediamycin 400_Eryped_E.e.s._E.e.s. 400_Erythroped a_Erythroped pi_NSC-756758_Rommix 125_Wyamycin_Erythroped pi sf_Arpimycin_Wyamycin e_E-mycin e_Erythroden_Sterile erythromycin ethylsuccinate_Erythromycin ethylsuccinate_,,,,,,,,
CHEMBL1200689,R07AX01_,2,-0.45,0,-0.35,-0.35,None,None,30.01,1,2,0,0,2,NEUTRAL,30.01,29.998,0,0,39.37,0.36,Y,0,FALSE,FALSE,TRUE,0,FALSE,0,[N]=O,Genosyl_Amidogen, oxo-_Inovent_Nitrosyl radical_Nitric oxide_Inomax_OHM-11771_Nitrogen oxide (no)_Nitric oxide trimer_,,,,,,,
CHEMBL1200690,H01BA03_,1,None,None,None,None,None,None,1056.24,None,None,None,None,None,NA,1056.24,1055.4317,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,Vasopressin, 8-l-lysine_Lysine vasopressin_L-8_Vasopressin pig_8-l-lysinevasopressin_Diapid_Lypressin_,,,,,,,
CHEMBL1200692,C09CA08_,2,4.17,5,3.24,4.54,4.25,3.63,558.6,11,12,2,2,41,ACID,558.6,558.2227,2,2,162.16,0.24,N,10,TRUE,FALSE,FALSE,1,FALSE,1,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,CS-866_Benicar_NSC-758924_Olmesartan medoxomil_Olmetec_,,,,,,,,
CHEMBL1200694,N01AB08_,2,2.42,0,2.27,2.27,None,None,200.05,1,1,0,0,12,NEUTRAL,200.05,200.0072,0,0,9.23,0.62,Y,2,FALSE,FALSE,TRUE,0,FALSE,0,FCOC(C(F)(F)F)C(F)(F)F,Sojourn_Sevoflurane_MR-6S4_MR6S4_Sevoflo_Ultane_NSC-760367_Sevocalm_Sevorane_,,,,,,,,
CHEMBL1200695,,0,1.07,1,-1.05,0.89,13.9,9.37,187.67,2,2,2,3,11,BASE,151.21,151.0997,0,0,46.25,0.66,Y,2,TRUE,FALSE,FALSE,0,TRUE,0,CC(N)C(O)c1ccccc1.Cl,Procol_Triogesic_Eskornade_NSC-23798_Phenylpropanolamine hydrochloride_Dexatrim_Phenylpropanolamine chloride_Phenylpropanolamine hcl_Sine-off_Triominic_Propadrine hydrochloride_Norephedrine hydrochloride_Dimotapp l.a._Dimotapp_Propagest_,,,,,,,,
CHEMBL1200699,A01AB22_J01AA02_,1,-0.35,1,-3.57,-3.29,2.92,7.46,462.46,9,10,6,7,32,ACID,444.44,444.1533,1,1,181.62,0.33,N,2,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.O,GS-3065_Oracea_Doxylin_Monodox_Vibramycin_Doxycycline_Doxirobe_Xyrosa_Supracyclin_Doxychel_Doxycycline monohydrate_,,,,,,,,
CHEMBL1200701,,1,3.2,2,-0.38,2.91,3.75,None,510.33,6,8,2,2,30,ACID,470.33,469.0266,0,0,112.74,0.66,N,4,TRUE,FALSE,FALSE,0,FALSE,0,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+],Dicloxacillin sodium hydrate_Dicloxacillin sodium_Sodium dicloxacillin_Dycill_Dicloxacillin sodium salt monohydrate_P-1011_Dicloxacillin sodium monohydrate_Pathocil_Sodium dicloxacillin monohydrate_Dynapen_NSC-756726_Dicloxacillinum natricum_BRL-1702_,,,,,,,,
CHEMBL1200703,,2,2.95,2,1.81,0.19,-2.69,7.06,336.22,3,4,1,1,21,ACID,299.76,299.0825,0,0,50.46,0.65,Y,1,TRUE,TRUE,FALSE,0,FALSE,1,CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1.Cl,A-poxide_Lygen_Librium_Chlordiazachel_Tropium_NSC-115748_Chlordiazepoxide hcl_Clopoxide chloride_Chlordiazepoxide hydrochloride_RO 5-0690_RO-5-0690_,,,,,,,,
CHEMBL1200705,,0,1.28,1,-0.97,1,10.48,9.8,232.12,2,2,2,3,11,BASE,151.21,151.0997,0,0,46.25,0.67,Y,2,FALSE,FALSE,TRUE,0,FALSE,0,Br.CC(N)Cc1ccc(O)cc1,Hyroxyamfetamine hydrobromide_Hydroxyamphetamine hbr_Paredrine_Phenol, 4-(2-aminopropyl)-, hbr_Hydroxyamphetamine hydrobromide_Hydroxyamfetamine hydrobromide_Oxamphetamine hydrobromide_Hydroxyamfetamine hbr_NSC-61065_,,,,,,
CHEMBL1200706,A02AB01_,2,None,None,None,None,None,None,78,None,None,None,None,None,NA,78,77.9898,None,None,None,None,None,None,TRUE,FALSE,FALSE,0,FALSE,0,[Al+3].[OH-].[OH-].[OH-],Aluminium hydroxide gel, dried_Aluminum hydroxide_Alu-cap_Aludrox_Dialume_Aluminium hydroxide_NSC-664400_Dried aluminum hydroxide gel_Amphojel_Sarpep_,,,,,,,
CHEMBL1200707,,0,2.42,1,0.8,1.42,None,7.9,440.97,6,7,0,0,29,NEUTRAL,404.51,404.2311,0,0,68.31,0.68,N,6,FALSE,TRUE,TRUE,0,FALSE,0,CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O.Cl,Benzquinamide hcl_Benzquinamide hydrochloride_Emete-con_,,,,,,,,
CHEMBL1200709,,2,2.92,1,3.09,3.09,None,None,203.28,1,2,0,0,15,NEUTRAL,203.28,203.131,0,0,20.31,0.69,Y,3,FALSE,FALSE,TRUE,0,FALSE,0,C/C=C/C(=O)N(CC)c1ccccc1C,N-ethyl-o-crotonotoluidide_N-ethylcrotono-o-toluidide_Crotamiton_Eurax_Crotan_NSC-758951_,,,,,,,,
CHEMBL1200710,,2,4.53,2,3.09,4.88,None,9.2,351.32,2,2,0,0,22,BASE,314.86,314.155,0,0,6.48,0.82,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,G 34586_Chlorimipramine_Anafranil_G-34586_Tranquax_Anafranil sr_Clomipramine hydrochloride_NSC-759323_Clomipramine hcl_,,,,,,,,
CHEMBL1200711,C10AX06_,-1,None,None,None,None,None,None,687.06,None,None,None,None,None,NA,687.06,686.5274,None,None,None,None,None,None,TRUE,FALSE,FALSE,1,FALSE,0,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC,Doconexent (dha ethyl ester)_Omega-3-acid ethyl esters_Icosapent (epa ethyl ester)_Omega-3 marine triglycerides_Omega-3-acid ethyl esters type a_Prestylon_Omtryg_Omega-3 acid ethyl esters_TAK-085_Dualtis_K85_Nebbaro_Omacor_Omega-3-acid ethyl ester_Lovaza_Teromeg_K-85_,,,,,,,,
CHEMBL1200714,M03BB72_M03BB52_M03BB02_,0,1.62,1,0.92,0.92,None,None,273.74,3,4,0,0,17,NEUTRAL,273.74,273.0226,0,0,54.45,0.78,Y,1,TRUE,FALSE,FALSE,0,TRUE,0,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,Trancopal_Chlormezanone_NSC-169108_Lyseen new_Chlormethazanone_,,,,,,,,
CHEMBL1200715,,0,3.15,1,1.43,3.83,None,9.87,297.83,3,3,1,1,19,BASE,261.36,261.1729,0,0,38.33,0.83,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CC(CNC1CCCCC1)OC(=O)c1ccccc1.Cl,Hexylcaine hcl_Hexylcaine hydrochloride_Cyclaine_Hexylcaine HCl_,,,,,,,,
CHEMBL1200721,L01XX11_,1,5.3,1,1.97,4.98,1.86,None,564.35,4,7,2,2,33,ACID,520.39,519.1344,2,2,96.3,0.37,N,7,TRUE,FALSE,FALSE,1,FALSE,0,C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+],Emcyt_Estramustine phosphate sodium hydrate_Estramustine 17-(dihydrogenphosphate) disodium salt monohydrate_Estramustine phosphate sodium monohydrate_RO-218837-001_Estramustine 17-(dihydrogenphosphate) disodium salt anhydrous_Estramustine phosphate sodium_Estramustine sodium phosphate_RO 21-8837/001_,,,,,,,,
CHEMBL1200722,M03AC06_,1,3.63,0,-5.28,-5.28,None,5.31,762.71,6,8,0,0,43,NEUTRAL,602.91,602.476,1,1,59.08,0.36,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1.[Br-].[Br-],Pipecuronium bromide hydrate_Pipecuronium bromide_RGH 1106_RGH-1106_Pipecurium bromide_Pipecuronium bromide anhydrous_Arduan_Pipecuronium bromide dihydrate_,,,,,,,,
CHEMBL1200724,,1,1.33,1,-0.78,1.32,13.89,9.52,201.7,2,2,2,2,12,BASE,165.24,165.1154,0,0,32.26,0.71,Y,3,TRUE,FALSE,FALSE,0,FALSE,0,CN[C@@H](C)[C@@H](O)c1ccccc1.Cl,Galpseud_Dimotane plus l.a._Sudafed 12 hr decongest_Pseudoephedrine hydrochloride_Rhinalair_Sudafed 12 hour_Actifed_Pseudophed_Efidac 24_Dimotane plus_Contac_NSC-106567_Otrivine mu-cron_Sudafed_NSC-33634_Galpseud plus_Otrinol_Sudafed-sa_Sinutab_Novafed_Galsud_Pseudoephedrine hcl_Sudafed 24 hour_Sudafed plus_,,,,,,,,
CHEMBL1200725,,0,7.02,4,6.19,6.23,None,6.48,500.79,4,3,0,0,27,NEUTRAL,437.78,435.9971,1,1,27.05,0.32,N,6,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O,Ertaczo_FI 7056_Dermofix_Dermovit_Sertaconazole mononitrate_FI-7056_Zalain_Sertaconazole nitrate_,,,,,,,,
CHEMBL1200728,,2,-1.16,0,-3.65,-1.24,None,12.55,95.53,1,3,3,5,4,BASE,59.07,59.0483,0,0,75.89,0.24,N,0,TRUE,FALSE,FALSE,0,FALSE,0,Cl.N=C(N)N,Guanidine HCl_Guanidine hydrochloride_,,,,,,,,
CHEMBL1200729,D10AF03_G01AA05_S02AA01_S03AA08_J01BA01_S01AA01_D06AX02_,1,1.32,1,-2.19,1.14,3.65,None,445.19,7,10,3,3,27,ACID,423.2,422.0284,0,0,156.07,0.22,N,10,FALSE,TRUE,FALSE,1,FALSE,1,O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+],Chloramphenicol monosuccinate sodium salt_Chloromycetin_Paraxin_Chloromyccetin Sod Succ_Mychel-s_Protophenicol_Chloramphenicoli natrii succinas_Chloramphenicol sodium succinate_,,,,,,,,
CHEMBL1200732,D07AC11_,1,3.52,0,3.2,3.2,13.61,None,502.58,7,7,1,1,36,NEUTRAL,502.58,502.2367,1,1,99.13,0.59,N,3,FALSE,FALSE,TRUE,1,FALSE,0,CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,NSC-758620_CL-34699_Amcinonide_Cyclocort_CL 34699_,,,,,,,,
CHEMBL1200733,N01AB07_,0,2.08,0,2.4,2.4,None,None,168.04,1,1,0,0,10,NEUTRAL,168.04,168.001,0,0,9.23,0.57,Y,2,FALSE,FALSE,TRUE,0,FALSE,0,FC(F)OC(F)C(F)(F)F,Suprane_Desflurane_I-653_,,,,,,,,
CHEMBL1200734,,1,2.52,2,-1.2,1.92,1.22,2.45,623.68,8,12,4,5,39,ACID,585.62,585.191,2,1,177.72,0.2,N,13,TRUE,FALSE,FALSE,1,FALSE,0,CC(C)CN(C[C@@H](OP(=O)([O-])[O-])[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1.[Ca+2],Lexiva_GW 433908G_GW-433908G_Fosamprenavir calcium salt_Fosamprenavir calcium_Telzir_,,,,,,,,
CHEMBL1200735,,1,2.37,2,-0.5,-0.5,5.49,9.42,437.9,6,7,2,2,29,ZWITTERION,401.44,401.1751,0,0,83.8,0.82,N,4,TRUE,TRUE,TRUE,0,FALSE,1,COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl,BAY 12-8039_BAY-12-8039_Moxeza_Vigamox_Moxifloxacin hydrochloride_Avelox_Moxifloxacin hcl_Moxivig_Minims_AL-15469A_NSC-758875_Moxifloxacin (as hydrochloride)_,,,,,,,,
CHEMBL1200745,,0,1.99,1,-0.06,2.17,None,9.67,301.81,4,4,2,2,19,BASE,265.35,265.1678,0,0,50.72,0.67,N,9,TRUE,FALSE,FALSE,0,FALSE,0,C=CCOc1ccccc1OCC(O)CNC(C)C.Cl,Oxprenolol hcl_Slow-trasicor_BA-39089_Trasicor ret_Laracor_Paritane_Oxprenolol hydrochloride_Trasicor_Slow-pren_BA-39,089_Oxyprenix excel 160_Apsolox_,,,,,,,
CHEMBL1200747,,-1,None,None,None,None,None,None,107.11,None,None,None,None,None,NA,107.11,107.0582,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,CC(O)C(=O)O.N,NSC-760427_Lac-hydrin_Lac hydrin_BMS-186091_Ammonium lactate_E328_,,,,,,,,
CHEMBL1200748,,1,-0.05,1,-2.53,-1.21,2.35,5.66,244.25,5,6,5,6,16,ACID,226.23,226.0954,1,0,115.81,0.28,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O.O,Carbidopa_Carbidopa anhydrous_MK-486_NSC-758190_Carbidopum monohydrate_Lodosyn_NSC-751137_Carbidopa monohydrate_Carbidopa hydrate_,,,,,,,,
CHEMBL1200749,,1,3.9,1,3.82,4.52,13.62,8,324.9,2,3,1,1,21,NEUTRAL,288.44,288.2202,0,0,32.34,0.89,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl,CHIROCAINE_Levobupivacaine hcl_Bupivacaine (-)-form hydrochloride_Chirocaine_Levobupivacaine hydrochloride_Levobupivac_,,,,,,,,
CHEMBL1200750,,0,4.24,2,2.64,4.29,None,9.05,320.89,3,2,0,0,20,BASE,284.43,284.1347,0,0,6.48,0.83,N,3,TRUE,TRUE,TRUE,0,FALSE,1,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,Promethazine_Promethacon_Zipan-50_Promethazine hydrochloride_Zipan-25_Sarantihist_Prometh plain_Prometh fortis_Mymethazine fortis_Q-mazine_Sominex_Phensedyl_Promethazine hydrochloride plain_Promethazine plain_Promethegan_Remsed_Phenergan nightime_Phenergan_Phenhalal_,,,,,,,,
CHEMBL1200751,L01BB02_,2,0.64,2,0.11,0.35,7.51,2.19,170.2,4,4,2,1,10,NEUTRAL,152.18,152.0157,0,0,54.46,0.43,N,0,TRUE,FALSE,FALSE,1,FALSE,0,O.Sc1ncnc2nc[nH]c12,Mercaptopurine_6-mercaptopurine monohydrate_Purinethol_NSC-759614_6-mercaptopurine_Purixan_Mercaptopurine anhydrous_Mercaptopurine hydrate_Mercaptopurinum_NSC-755_Xaluprine_Puri-nethol_,,,,,,,,
CHEMBL1200755,,1,None,None,None,None,None,None,1425.57,None,None,None,None,None,NA,1352.43,1351.4485,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CCNCC.CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,Ceruletide diethylamine_Ceruletide diethylamine salt_Caerulein diethylamine_Ceosunin_Tymtran_Takus_,,,,,,,,
CHEMBL1200757,,1,6.11,0,-3.27,-3.27,None,None,732.68,4,6,0,0,41,NEUTRAL,572.88,572.4542,2,2,52.6,0.3,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-],Bromurex_ORG NA 97_Pavulon_ORG-NA-97_ORG-NA 97_NSC-293162_Mioblock_Pancuronium bromide_,,,,,,,,
CHEMBL1200758,,1,0.32,1,-2.36,-2,3.24,7.23,371.39,5,7,3,4,24,ACID,349.41,349.1096,0,0,112.73,0.67,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],Amp Equine_NSC-755864_Omnipen_Penbritin-s_Ampicillin (as sodium)_Ampicillin sodium salt_Ampicillin sodium, sterile_Principen-N_Omnipen-n_Polycillin_Penbritin_Polycillin-n_Principen_Totacillin-n_Ampicillin sodium_Totacillin_Ampicillinum natricum_,,,,,,,
CHEMBL1200759,,2,1.93,1,1.94,1.94,11.25,3.62,292.55,3,4,1,1,16,NEUTRAL,256.09,254.9966,0,0,44.7,0.77,Y,0,TRUE,FALSE,FALSE,0,FALSE,0,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,Anagrelide hydrochloride monohydrate_Thromboreductin_Anagrelide hcl_BMY-26538-01_BL-4162A_NSC-759170_Anagrelide hydrochloride_Xagrid_Agrylin_NSC-724577_Anagrelide hydrochloride hydrate_Agrelin_,,,,,,,,
CHEMBL1200760,,2,2.71,2,-3.62,3.17,3.06,None,401.29,6,9,4,4,26,ACID,357.32,357.0961,0,0,148.65,0.56,N,7,TRUE,FALSE,FALSE,1,FALSE,0,O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+],NSC-760046_Balsalazide disodium anhydrous_Balsalazine_Balsalazide disodium_Colazide_BX-661A_Giazo_BX661A_Balsalazide disodium salt dihydrate_Balsalazide sodium_Balsalazide disodium dihydrate_Colazal_,,,,,,,,
CHEMBL1200761,G03CA06_,2,5.87,3,5.43,5.43,None,None,380.87,3,3,0,0,27,NEUTRAL,380.87,380.1179,1,1,27.69,0.5,N,6,TRUE,FALSE,FALSE,1,FALSE,0,COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,NSC-10108_Chlorotrianisene_Tace_Chlortrianisestrol_Trianisestrol_,,,,,,,,
CHEMBL1200762,D07AC01_A07EA04_R01AD06_R03BA04_D07XC01_S01BA06_S03BA03_C05AA05_H02AB01_S01CB04_S02BA07_,1,2.01,0,-2.01,1.56,1.18,None,516.41,6,8,4,4,32,ACID,472.45,472.1662,0,0,141.36,0.46,N,4,FALSE,TRUE,FALSE,1,FALSE,0,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],Betamethasone 21-phosphate disodium salt_Vistamethasone_NSC-90616_Betamethasone sodium phosphate_Betamethasone disodium phosphate_Betnesol-n_Celestone_Betnesol_Vistamethasone n_Betam-ophtal_,,,,,,,,
CHEMBL1200764,,0,0.64,0,-3.8,-3.8,None,None,195.69,2,3,0,0,11,NEUTRAL,160.24,160.1332,0,0,26.3,0.45,Y,3,FALSE,FALSE,TRUE,0,FALSE,1,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],Provocholine_NSC-757090_Methacholine chloride_,,,,,,,,
CHEMBL1200768,,1,-1.3,2,-6.94,-4.16,2.51,3.94,568.57,11,13,3,4,37,ACID,546.59,546.0991,2,2,191.22,0.15,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)[O-].[Na+],Ceftazidime sodium_,,,,,,,,
CHEMBL1200769,,2,2.65,2,1.82,3.2,None,8.76,447.49,3,3,0,0,19,BASE,255.37,255.1735,0,0,19.37,0.79,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O,Tripelennamine citrate_NSC-757360_,,,,,,,,
CHEMBL1200771,,0,4.72,1,0.29,0.29,13.69,None,353.98,1,2,1,1,23,NEUTRAL,318.53,318.2791,0,0,20.23,0.69,N,8,TRUE,TRUE,FALSE,0,FALSE,0,CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1.[Cl-],Tridihexethyl chloride_Pathilon_,,,,,,,,
CHEMBL1200772,,0,3.61,3,0.94,2.74,5.56,None,346.42,4,4,1,1,23,ACID,308.33,308.1049,0,0,67.51,0.75,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[K+],Athrombin-k_Potassium warfarin_Warfarin potassium_Warfarin-potassium_,,,,,,,,
CHEMBL1200773,,0,1.59,1,1,1.88,13.65,8.23,228.72,2,3,2,3,14,NEUTRAL,192.26,192.1263,0,0,55.12,0.75,Y,2,TRUE,FALSE,FALSE,0,FALSE,1,Cc1cccc(C)c1NC(=O)C(C)N.Cl,Tocainide hydrochloride_Tonocard_Xylotocan_Tocainide hcl_Tocainide monohydrochloride_,,,,,,,,
CHEMBL1200774,,1,1.51,0,0.93,0.93,12.58,None,378.44,5,5,3,3,27,NEUTRAL,378.44,378.1843,0,0,94.83,0.68,N,2,TRUE,FALSE,FALSE,0,FALSE,0,C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,Alphadrol_NSC-47439_Fluprednisolone_U-7800_,,,,,,,,
CHEMBL1200775,,1,None,None,None,None,None,None,1269.47,None,None,None,None,None,NA,1209.42,1208.6455,None,None,None,None,None,None,TRUE,TRUE,FALSE,0,FALSE,0,CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1,Lucrin_Lupron depot_Eligard_A-43818_Eligard kit_Lupron depot-ped_Fensolvi kit_ABBOTT-43818_Leuprolide acetate_TAP-144_Viadur_Lupron Depot Ped_Prostap_Lupaneta_Leuporelin acetate_Leuprorelin_Carcinil_Lutrate depot kit_Enantone_Trenantone_Lupron depot-ped kit_Lutrate depot_Leuprolide monoacetate_Fensolvi_Lupron_Leuplin_Tap-144-sr_Leuprorelin acetate_,,,,,,,,
CHEMBL1200776,,1,6.14,3,3.75,6.27,None,10.01,393.88,1,1,1,1,26,BASE,357.42,357.1704,1,1,12.03,0.52,N,6,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl,Cinacalcet hcl_AMG073 HCL_Cinacalcet hydrochloride_Mimpara_AMG-073 HCL_AMG073 HYDROCHLORIDE_AMG-073_Sensipar_,,,,,,,,
CHEMBL1200779,,1,1.89,3,0.14,0.14,5.22,9.44,512.47,6,7,2,3,30,ZWITTERION,416.36,416.1096,0,0,101.45,0.68,N,3,TRUE,FALSE,FALSE,0,TRUE,1,CS(=O)(=O)O.N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12,CP-99219-27_Trovafloxacin sulfate_CP-99,219-27_Trovan_Trovafloxacin mesilate_Trovafloxacin mesylate_Trovafloxacin methanesulfonate_,,,,,,,
CHEMBL1200781,,0,3.81,2,1.41,3.76,None,9.78,405.31,3,3,0,0,24,BASE,324.4,324.1638,0,0,36.26,0.84,N,5,TRUE,FALSE,FALSE,0,FALSE,1,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,Cipramil_Citalopram hydrobromide_LU-10-171-B_Celexa_Citalopram hbr_LU 10-171-B_Paxoran_NSC-758684_Citalopram (as hydrobromide)_,,,,,,,,
CHEMBL1200782,,1,1.58,1,-0.67,1.8,None,10.01,281.35,1,1,1,2,10,BASE,135.21,135.1048,0,0,26.02,0.65,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H](N)Cc1ccccc1.O=C(O)CCCCC(=O)O,Dextroamphetamine adipate_D-amphetamine adipate_,,,,,,,,
CHEMBL1200787,,0,4.19,2,4.03,4.64,None,7.89,340.29,2,2,0,0,21,NEUTRAL,303.83,303.139,0,0,12.47,0.68,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl,Phenoxybenzamine hydrochloride_Dibenzyline_Dibenzyline chloride_Dibenzyran_Dibenzylin_Phenoxybenzamine chloride_Phenoxybenzamine hcl_Bensylyte hydrochloride_Dibenyline_Dibenzyline hydrochloride_NSC-37448_,,,,,,,,
CHEMBL1200789,,2,1.47,0,-2.65,0.93,1.17,None,251.37,2,4,2,2,10,ACID,229.38,227.8913,0,0,66.76,0.56,N,2,TRUE,FALSE,FALSE,1,FALSE,0,O=P([O-])(O)OCC(Cl)(Cl)Cl.[Na+],SCH 10159_Tricloryl_Trichloroethyl phosphate sodium_Triclos_Triclofos sodium_Triclofos monosodium salt_SCH-10159_,,,,,,,,
CHEMBL1200790,N05CE02_,0,1.13,0,1.88,1.88,None,None,183.25,2,3,1,1,13,NEUTRAL,183.25,183.1259,0,0,46.17,0.65,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CCC1(CC)C(=O)NCC(C)C1=O,Methyprylon_Noludar_NSC-30442_,,,,,,,,
CHEMBL1200791,,2,2.85,1,1.2,3.03,10.91,10.15,296.84,3,3,2,2,19,BASE,260.38,260.1889,0,0,44.62,0.86,Y,2,FALSE,FALSE,TRUE,0,FALSE,0,Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl,Upneeq_SCH 9384_Afrazine_Oximetazoline hydrochloride_NSC-757254_Visine_Oxymetazoline hydrochloride_SCH-9384_Visine l.r._Rhofade_Oxymetazoline hcl_Ocuclear_Agn-199201_,,,,,,,,
CHEMBL1200794,,1,0.75,1,0.01,0.78,10.07,8.21,337.8,5,5,2,2,22,NEUTRAL,301.34,301.1314,0,0,70,0.74,N,0,TRUE,TRUE,TRUE,0,FALSE,1,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl,Oxymorphone hcl_Opana er_Oxymorphone hydrochloride_Opana_Numorphan_,,,,,,,,
CHEMBL1200795,,1,5.1,2,2.79,4.92,None,9.55,459.97,2,2,0,0,24,BASE,343.9,343.1703,1,1,12.47,0.72,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O,Tavist-1_Clemastine fumarate_Tavegil_Clemastine hydrogen fumarate_Tavist_,,,,,,,,
CHEMBL1200796,L01AA01_,0,1.88,0,0.1,0.1,13.48,0.02,279.1,2,4,1,1,14,NEUTRAL,261.09,260.0248,0,0,41.57,0.61,N,5,TRUE,TRUE,FALSE,1,FALSE,0,O.O=P1(N(CCCl)CCCl)NCCCO1,Cycloblastin_NSC-26271_Procytox_Revimmune_NSC-756711_Neosar_Cyclophosphamide monohydrate_Endoxana_Lyophilized cytoxan_Cyclophosphanum_Cytoxan (lyophilized)_Cyclophosphamide anhydrous_Ciclofosfamide_Cyclostin_Endoxan monohydrate_B-518_Cyclophosphamidum_Cyclophosphamide hydrate_Cytophosphan_Cyclophosphamide_Cytophosphane_Cytoxan_Endoxan_,,,,,,,,
CHEMBL1200798,,2,2.36,3,2.96,3.13,None,7.09,408.33,6,6,0,0,26,NEUTRAL,371.87,371.1513,0,0,45.78,0.69,N,5,TRUE,FALSE,FALSE,0,FALSE,1,Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,Trialodine_AF-1161_Molipaxin cr_Trazodone hydrochloride_Desyrel_Trazodone hcl_Oleptro_NSC-292811_Molipaxin_,,,,,,,,
CHEMBL1200799,S01EE04_,1,4.43,1,3.84,3.84,13.95,None,500.55,6,6,3,3,35,NEUTRAL,500.55,500.2386,1,1,96.22,0.22,N,12,FALSE,FALSE,TRUE,1,FALSE,0,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1,Otx-tp_Izba_Travoprost_AL-6221_NSC-760366_Travatan_Travatan z_,,,,,,,,
CHEMBL1200800,V03AE07_,-1,None,None,None,None,None,None,158.17,None,None,None,None,None,NA,158.17,157.9892,None,None,None,None,None,None,TRUE,TRUE,FALSE,0,FALSE,0,CC(=O)[O-].CC(=O)[O-].[Ca+2],Acetic acid, calcium salt (2:1)_Renacet_E263_Calcium acetate anhydrous_Acetic acid, calcium salt_Calcarea acetica_Eliphos_Everose_FEMA NO. 2228_INS NO.263_Calcium acetate_E-263_Phoslo_Phoslyra_INS-263_Phosex_Phoslo gelcaps_Calcium acetate, anhydrous_,,,,,
CHEMBL1200802,N05CA07_,0,0.96,0,1.33,1.59,7.48,None,224.26,3,5,2,2,16,NEUTRAL,224.26,224.1161,0,0,75.27,0.55,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O,Lotusate_Talbutal_,,,,,,,,
CHEMBL1200803,,1,3.86,2,2.47,3.96,None,8.88,480.56,3,4,0,0,27,BASE,362.47,362.1994,0,0,32.78,0.81,N,2,TRUE,FALSE,FALSE,0,FALSE,0,O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,Solifenacin succinate_YM905_YM-905_YM-67905_Vesicare_Vesicare ls_YM67905_,,,,,,,,
CHEMBL1200804,,2,4.36,2,1.1,4.26,4,None,334.24,2,3,2,2,19,ACID,296.15,295.0167,0,0,49.33,0.88,N,4,TRUE,FALSE,FALSE,0,FALSE,1,O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[K+],Voltarol pain-eze_Voltarol rapid_Diclofenac potassium_Cataflam_Diclofenac potassium salt_Zipsor_Potassium diclofenac_Voltarol joint pain_Cambia_CGP 45840B_Voltarol pain-eze extra strgh_CGP-45840B_,,,,,,,,
CHEMBL1200805,,1,3.37,2,1.89,2.73,12.86,8.18,548.61,6,6,0,0,29,NEUTRAL,414.53,414.1613,0,0,59.08,0.68,N,6,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.O=C(O)CC(O)C(=O)O,MK-793_Diltiazem malate_Tiamate_,,,,,,,,
CHEMBL1200806,,1,3.04,2,-0.05,2.99,4.19,None,252.25,2,3,1,1,17,ACID,230.26,230.0943,0,0,46.53,0.88,N,3,TRUE,FALSE,FALSE,0,FALSE,1,COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1.[Na+],Synflex_Naprelan_RS-3650_BAY117031_Naproxen sodium_Aleve_Anaprox_Naproxen sodium salt_Naproxen sodium anhydrous_Anaprox ds_BAYH6689_BAY-117031_,,,,,,,,
CHEMBL1200807,,1,4.14,0,3.67,3.67,11.47,3.12,327.47,3,3,2,2,24,NEUTRAL,327.47,327.2198,0,0,52.82,0.43,N,1,FALSE,FALSE,TRUE,0,FALSE,0,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,Norelgestromin_Evra_RWJ-10553_Ortho evra_Deacetylnorgestimate_,,,,,,,,
CHEMBL1200809,,0,4.3,3,2.55,4.04,None,8.88,418.37,4,4,0,0,27,BASE,381.91,381.1608,0,0,38.13,0.68,N,3,FALSE,FALSE,TRUE,0,FALSE,0,CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl,Azelastine hydrochloride_A-5610_W-2979M_Astepro allergy_Azelastine hcl_Astepro_Rhinolast allergy_E-0659_Rhinolast_Optivar_Optilast_Children's astepro allergy_Astelin_,,,,,,,,
CHEMBL1200810,H05BX03_,1,6.61,0,5.75,5.75,None,None,412.66,2,2,2,2,30,NEUTRAL,412.66,412.3341,1,1,40.46,0.5,N,5,TRUE,TRUE,FALSE,1,FALSE,0,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O,Doxercalciferol_1-.alpha.-hydroxyergocalciferol_1.alpha.-hydroxyergocalciferol_GZ427397_Hectorol_1-hydroxyergocalciferol_TSA-840_1-alpha-hydroxyergocalciferol_1.alpha.-hydroxyvitamin d2_,,,,,,,,
CHEMBL1200813,,0,2.37,1,-0.6,1.53,13.91,9.57,372.89,5,6,3,3,24,BASE,336.43,336.2049,0,0,87.66,0.57,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl,Acebut hcl_M&B 17803A_B 17803A_Sectral 400_B-17803A_Sectral_Neptal_Acebutolol hydrochloride_Prent_Acetanol_Sectral 200_M&B-17803A_NSC-757412_Acebutolol hcl_IL-17803A_,,,,,,,,
CHEMBL1200814,,2,-0.86,1,-2.08,-1.04,6.55,None,244.23,6,7,2,3,13,NEUTRAL,222.25,221.9881,0,0,115.04,0.63,N,2,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+],Acetazolamide Sodium_Acetazolamide sodium salt_Acetazolamide sodium_Sodium acetazolamide_Diamox_Vetamox_,,,,,,,,
CHEMBL1200817,,1,4.65,2,2.45,4.88,None,9.87,389.97,3,3,0,0,26,BASE,353.51,353.2355,0,0,29.54,0.65,N,8,TRUE,FALSE,FALSE,1,TRUE,0,CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1.Cl,MK790_MK-790_Levomethadyl acetate hcl_Levacetylmethadol hydrochloride_Levomethadyl acetate hydrochloride_Orlaam_LAAM_,,,,,,,,
CHEMBL1200819,,0,2.17,1,1.94,3.25,11.61,8.68,320.84,5,5,2,2,19,BASE,284.38,284.1195,0,0,67.43,0.79,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC.Cl,Ubistesine_Ultracaine_Septocaine_Septanest_HOE-40045_Ultracain_Articaine hcl_HOE-045_40 045_HOE 045_Articaine hydrochloride_Carticaine hydrochloride_,,,,,,,,
CHEMBL1200820,,1,-0.24,1,-3.64,-0.26,3.49,None,539.55,7,12,3,3,36,ACID,517.56,517.1631,2,1,156.43,0.34,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)[O-])C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O.[Na+],Piperacillin sodium salt_T-1220_Piperacillin (as sodium)_Penmalin_CL 227,193_Pipril_Pipracil_Isipen_Piperacillin sodium_Pentacillin_Piperacil_CL-227193_Piperacillin_NSC-757277_,,,,,,,
CHEMBL1200822,,0,3.44,1,1.01,3.19,13.68,9.62,474.4,4,5,2,2,28,BASE,414.35,414.1378,0,0,59.59,0.67,N,7,TRUE,FALSE,FALSE,0,FALSE,1,CC(=O)O.O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,Flecainide monoacetate_Flecainide acetate_Tambocor_,,,,,,,,
CHEMBL1200825,,0,4.29,2,3.29,5.01,None,9.12,345.91,2,2,0,0,23,BASE,309.45,309.2093,0,0,20.31,0.76,N,7,TRUE,TRUE,FALSE,0,FALSE,1,CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl,Martindale_Westadone_Phenadone hydrochloride_Eptadone_Physeptone_Butalgin_AN-148_Dolophine_Methex_Fenadone_Methadone hydrochloride intensol_Dolofin hydrochloride_Methadone hcl_Methadose_Dolophine hydrochloride_Synastone_Pinadone_Heptadon_Methadone hydrochloride_Metharose_Methadone hydrochloride cii_Ketalgin hydrochloride_NSC-19600_Mecodin_Methadonium chloride_,,,,,,,,
CHEMBL1200826,N05AN01_,-1,None,None,None,None,None,None,73.89,None,None,None,None,None,NA,73.89,74.0168,None,None,None,None,None,None,TRUE,FALSE,FALSE,0,FALSE,1,O=C([O-])[O-].[Li+].[Li+],Eskalith cr_Lithotabs_Liskonum_Camcolit 250_NSC-16895_CP-15,467-61_CP-15467-61_Lithobid_Eskalith_Phasal_Lithane_CP-1546761_Lithium carbonate_Lithonate_Camcolit 400_,,,,,,,
CHEMBL1200828,,0,3.94,1,1.87,3.79,13.84,9.32,323.91,2,2,1,1,21,BASE,287.45,287.2249,0,0,23.47,0.89,N,5,TRUE,FALSE,FALSE,0,FALSE,0,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1,NSC-169452_Cycrimine hcl_Cycrimine hydrochloride_Cycrimine HCl_Pagitane_,,,,,,,,
CHEMBL1200831,,1,2.39,1,-0.03,1.6,3.62,5.2,503.09,7,7,2,2,31,ACID,466.63,466.1596,0,0,95.94,0.54,N,9,TRUE,FALSE,FALSE,1,FALSE,0,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2.Cl,Spirapril hydrochloride_Renormax_Spirapril hcl_SCH-33844_SCH 33844_,,,,,,,,
CHEMBL1200832,,2,4.88,2,4.06,5.53,None,8.86,327.9,1,1,0,0,22,BASE,291.44,291.1987,0,0,3.24,0.73,N,4,TRUE,FALSE,TRUE,0,FALSE,0,CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl,Lamisil_Terbinafine hydrochloride_Bramizil_Lamisil at_Terbina_Athlete's foot_NSC-759113_Terbinafine HCl_Muzonal_Terbinafine (as hydrochloride)_Terbinafine hcl_Terbine_Bramazil_Lamisil once_,,,,,,,,
CHEMBL1200833,,0,2.84,1,1.8,3.71,None,9.33,387.9,6,6,2,2,25,BASE,351.44,351.2046,0,0,84.86,0.63,N,5,FALSE,FALSE,TRUE,1,FALSE,0,CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1.Cl,Akpro_Dipivefrin hydrochloride_Dipivefrine hydrochloride_Propine_Dipivefrin hcl_,,,,,,,,
CHEMBL1200836,,2,6.12,3,5.78,5.84,None,6.74,492.15,4,4,0,0,26,NEUTRAL,429.13,426.9813,1,1,39.41,0.35,N,6,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,Oceral_RO-13-8996_ST-813_Oxistat_NSC-758958_RO 13-8996_SGD-301-76_Oxiconazole nitrate_SGD 301-76_,,,,,,,,
CHEMBL1200837,,1,2.39,1,0.31,2.54,None,9.67,343.9,4,4,2,2,22,BASE,307.43,307.2147,0,0,50.72,0.62,N,11,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1.Cl,Levobetaxolol hydrochloride_AL1577A_AL-1577A_Betaxon_Levobetaxolol hcl_,,,,,,,,
CHEMBL1200841,,2,1.77,1,0.31,1.88,None,8.96,272.78,4,4,1,2,17,BASE,236.31,236.1525,0,0,55.56,0.6,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl,Procaini hydrochloridum_SP-01A_Naucaine_Planocaine_Sp01a_Jenacaine_Pasconeural n_Procaine hydrochloride_Novocain_Rocain_SP01A_Neocaine_Medaject_NSC-757280_Procaine hcl_Syntocain_Anestil_Omnicain_Enpro_,,,,,,,,
CHEMBL1200843,,1,1.92,2,0.95,1.59,None,7.93,455.51,3,5,3,3,25,NEUTRAL,339.44,339.1947,0,0,68.36,0.8,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O,Methylergonovine maleate_Methylergometrine maleate_NSC-757104_Methylergonovinium bimaleate_Methergine_,,,,,,,,
CHEMBL1200845,D07AD02_,1,3.89,0,3.3,3.3,13.6,None,454.97,5,5,1,1,31,NEUTRAL,454.97,454.1922,0,0,72.83,0.64,N,2,FALSE,FALSE,TRUE,0,FALSE,0,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,SO-18566_Halog_Halcinonide_NSC-758413_SQ-18566_SQ 18566_SO 18566_Halog-e_,,,,,,,,
CHEMBL1200848,G03DA03_,1,5.97,0,5.88,5.88,None,None,428.61,4,4,0,0,31,NEUTRAL,428.61,428.2927,1,1,60.44,0.39,N,6,FALSE,TRUE,FALSE,0,FALSE,0,CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,Makena_Primolut depot_17.alpha.-caproyloxy-p4_Proluton depot_Hormofort_Makena preservative free_Hydroxyprogesterone hexanoate_Teralutil_Delalutin_17-ohpc_Procyte depo_Syngynon_Oxiprogesterone caproate_Proge_Hydroxyprogesterone_Hylutin_NSC-17592_Hydroxyprogesterone caproate_Pharlon_Makena (autoinjector)_Depo-proluton_,,,,,,,,
CHEMBL1200850,,2,-1.56,2,-1.19,-1.19,11.58,1.01,277.22,9,9,4,5,18,NEUTRAL,255.23,255.0968,0,0,139.54,0.5,N,5,FALSE,TRUE,FALSE,1,FALSE,1,Nc1nc([O-])c2ncn(COC(CO)CO)c2n1.[Na+],Ganciclovir (as sodium)_Ganciclovir_Cytovene iv_Ganciclovir sodium salt_RS-21592 SODIUM_Ganciclovir sodium_Cytovene_,,,,,,,,
CHEMBL1200851,A03BB06_A03CB04_,0,2.03,1,-2.57,-2.57,11.99,None,370.29,3,4,1,1,21,NEUTRAL,290.38,290.1751,0,0,46.53,0.68,Y,3,TRUE,FALSE,FALSE,0,FALSE,0,C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2.[Br-],Homatropini methylbromidum_NSC-34399_Homatropine methylbromide_NSC-757048_Homapin-5_Homapin-10_Homapin_Equipin_,,,,,,,,
CHEMBL1200852,,1,0.7,1,-2.64,0.76,3.39,None,388.49,5,7,2,2,24,ACID,350.4,350.0936,0,0,95.94,0.76,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+],Betapen-vk_Penicillin-vk_Phenoxymethylpenicillin K_Penicillin v potassium_V-Cillin-K_Primcillin_Pfizerpen vk_Veetids '125'_Penicillin vk_V-cillin k_Penicillin v potassium salt_Beepen-vk_Veetids '250'_Veetids_Penicillin potassium phenoxymethyl_Veetids '500'_Potassium penicillin v_Ledercillin vk_Uticillin vk_Phenoxymethylpenicillin potassium_Pen-vee k_Beepen VK_Penicillin Vk_Penapar-vk_NSC-757258_Vamosyn_Antibiocin_,,,,,,,,
CHEMBL1200853,G03DB01_,1,4.5,0,3.79,3.79,None,None,312.45,2,2,0,0,23,NEUTRAL,312.45,312.2089,0,0,34.14,0.71,N,1,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,Duphaston-hrt_NSC-92336_Isopregnenone_Gynorest_Dydrogesterone_Duphaston_,,,,,,,,
CHEMBL1200854,N05AB02_,2,8,2,7.88,8.22,None,7.48,591.78,6,5,0,0,41,NEUTRAL,591.78,591.3106,2,2,36.02,0.15,N,15,FALSE,TRUE,FALSE,1,FALSE,1,CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,Lyogen_Moditen depot_Prolixin decanoate_Fluphenazini decanoas_Decazate_QD-10733_SQ-10733_Modecate_Dapotum d_Fluphenazine decanoate_Modecate conc_NSC-169510_,,,,,,,,
CHEMBL1200855,,1,0.55,1,-5.97,0.6,3.09,None,428.4,6,8,3,3,25,ACID,384.44,384.045,0,0,124.01,0.5,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+],NSC-759166_Ticarcillin disodium_Ticillin_Ticarpen_Disodium ticarcillin_Ticarcillin sodium_Monapen_Ticarcillin disodium salt_BRL-2288_BRL 2288_Ticar_,,,,,,,,
CHEMBL1200862,C02KB01_,1,0.74,1,-1.06,-1.06,2.06,9.93,195.22,3,4,3,4,14,ZWITTERION,195.22,195.0895,0,0,83.55,0.66,N,3,TRUE,FALSE,FALSE,0,FALSE,0,C[C@](N)(Cc1ccc(O)cc1)C(=O)O,MK-781_Racemetirosine, (s)-_L-588357-0_Demser_Metyrosine_Metirosine_,,,,,,,
CHEMBL1200863,,1,1.93,1,0.25,0.25,1.29,9.51,341.67,3,4,2,3,19,ZWITTERION,305.21,304.0745,0,0,66.56,0.72,N,8,FALSE,TRUE,FALSE,0,FALSE,1,Cl.N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,Melphalan hydrochloride_Alkeran hydrochloride_Evomela_Sarcolysin hydrochloride, l-_Alkeran_Melphalan hcl_CB 3025 HYDROCHLORIDE_CB-3025 HYDROCHLORIDE_,,,,,,,
CHEMBL1200865,S01BA14_,1,3.92,0,3.94,3.94,None,None,466.96,7,7,1,1,32,NEUTRAL,466.96,466.1758,0,0,99.13,0.49,N,4,FALSE,FALSE,TRUE,1,FALSE,0,CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,Alrex_Loteprednol_CDDD 5604_Loteprednol etabonate_Lotemax_Airex_Inveltys_KPI-121_Lotemax sm_P-5604_HGP-1_Eysuvis_CDDD-5604_,,,,,,,,
CHEMBL1200868,,2,2.19,2,3.15,3.15,9.87,2.32,229.24,4,4,2,3,17,NEUTRAL,229.24,229.0739,0,0,72.55,0.47,N,2,TRUE,FALSE,FALSE,0,FALSE,0,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,Fenamisal_NSC-40144_Phenyl aminosalicylate_Pheny-pas-tebamin_,,,,,,,,
CHEMBL1200869,,2,0.09,1,-0.46,-0.46,None,3.03,207.62,5,6,1,1,12,NEUTRAL,171.16,171.0644,0,0,81.19,0.52,N,3,FALSE,TRUE,FALSE,0,FALSE,0,Cc1ncc([N+](=O)[O-])n1CCO.Cl,Metronidazole hydrochloride_Metronidazole hcl_Flagyl i.v._Flagyl_SC-32642_,,,,,,,,
CHEMBL1200870,,1,0.5,1,-0.97,1.34,None,9.76,432.5,8,7,2,2,21,BASE,316.43,316.1569,0,0,79.74,0.79,N,6,TRUE,FALSE,TRUE,0,FALSE,0,CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O,Ophtamolol_Timoptic Xe_Timoptic in ocudose_NSC-757351_Istalol_Timolol maleate, s-enantiomer_Aquanil_Timolol (as maleate)_Blocadren_Timolol hydrogen maleate salt_Timololi maleas_Timolol maleate_WP-934_Timoptic_Timoptic-xe_,,,,,,,
CHEMBL1200873,,2,2.84,2,1.3,2.52,9.78,9.02,377.47,4,4,2,2,21,BASE,281.36,281.1528,0,0,47.86,0.91,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CS(=O)(=O)O.Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,Regitine_Rogitine_NV-101_Phentolamine methanesulfonate_Oraverse_Phentolamine mesilate_Mesylate phentolamine_Phentolamine mesylate_,,,,,,,,
CHEMBL1200874,,2,1.78,1,1.36,2.3,4.33,None,292.34,3,5,2,2,18,ACID,270.35,270.1038,0,0,75.27,0.8,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1.[Na+],Tolbutamide sodium salt_Tolbutamide sodium, sterile_Sodium tolbutamide_Tolbutamide sodium_Orinase diagnostic_,,,,,,,
CHEMBL1200875,,2,4.41,3,3.98,4.24,None,7.29,427.93,5,5,0,0,29,NEUTRAL,391.47,391.1784,0,0,59.75,0.6,N,5,TRUE,FALSE,FALSE,0,FALSE,0,Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl,Urispas 200_Flavoxate_Flavoxate hydrochloride_DW-61_NSC-114649_Urispas_Flavoxate hcl_,,,,,,,,
CHEMBL1200877,D07AB03_D07XB01_,1,3.44,0,3.58,3.58,12.44,None,494.58,6,6,2,2,35,NEUTRAL,494.58,494.248,0,0,100.9,0.58,N,3,FALSE,FALSE,TRUE,1,FALSE,0,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,Flumethasone pivalate_Locorten_NSC-107680_Locorten-vioform_Flumetasone pivalate_Flumethasone 21-pivalate_,,,,,,,,
CHEMBL1200878,A01AC01_R01AD11_D07AB09_D07XB02_S01BA05_C05AA12_H02AB08_R03BA06_,1,4.41,0,4.12,4.12,13.61,None,532.65,7,7,1,1,38,NEUTRAL,532.65,532.2836,1,1,99.13,0.54,N,4,FALSE,TRUE,FALSE,1,FALSE,0,CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,CL 34433_Lederspan_TATBA_Triamcinolone hexacetonide_CL-34433_Aristospan_,,,,,,,,
CHEMBL1200879,,0,3.61,3,0.94,2.74,5.56,None,330.31,4,4,1,1,23,ACID,308.33,308.1049,0,0,67.51,0.75,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Na+],Warfarin sodium salt_Prothromadin_Coumadin_Apo-warfarin_Aldocumar_Marevan_Panwarfin_Sodium warfarin_Jantoven_Warfarin sodium_Athrombin_Zoocoumarin sodium salt_Warfarinum natricum_,,,,,,,,
CHEMBL1200880,,2,4.36,2,-0.15,-0.15,None,None,389.52,0,1,0,0,21,NA,278.42,278.1903,0,0,0,0.72,N,2,TRUE,FALSE,FALSE,0,FALSE,0,COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1,Prantal_Diphemanil methylsulphate_Diphemanil metilsulfate_Diphemanil methylsulfate_NSC-41725_,,,,,,,,
CHEMBL1200881,,1,0.19,1,-2.61,-2.54,2.9,7.9,493.94,9,10,5,6,33,ACID,457.48,457.1849,1,0,164.63,0.4,N,3,TRUE,TRUE,TRUE,0,FALSE,0,CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl,Aknemin 50_Amzeeq_Zilxi_Blemix 100_Aknemin_Minocin 50_Minocycline hcl_Minogal_NSC-141993_Minocycline hydrochloride_Dynacin_Minocycline (as hydrochloride)_Minolira_Ximino_Minocin_Arestin_Acnamino_Sebren mr_Dentomycin_Sebomin_Solodyn_Cyclomin_Blemix 50_Minocin mr_,,,,,,,,
CHEMBL1200885,,2,2.41,3,1.12,1.21,13.32,6.81,330.82,3,5,1,1,22,NEUTRAL,294.36,294.1481,0,0,53.92,0.79,Y,2,TRUE,FALSE,FALSE,0,FALSE,1,Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O.Cl,GR 68755C_GR-68755C_Alosetron hydrochloride_Lotrpnex_Alosetron hcl_Lotronex_,,,,,,,,
CHEMBL1200887,,2,2.58,2,0.77,2.16,None,8.77,424.93,6,7,1,1,28,BASE,388.46,388.1998,0,0,69.26,0.67,N,10,TRUE,TRUE,FALSE,0,FALSE,0,COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl,Trimethobenzamide hcl_NSC-37882_Tigan_Trimethobenzamide HCl_Trimethobenzamide hydrochloride preservative free_Trimethobenzamide hydrochloride_,,,,,,,,
CHEMBL1200890,,1,1.05,1,0.16,1.03,13.57,8.21,351.83,5,5,1,1,23,NEUTRAL,315.37,315.1471,0,0,59,0.84,N,1,TRUE,FALSE,FALSE,0,TRUE,1,COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.Cl,Oxycontin_Dolocodon pr_Oxeltra_Shortec_Oxecta_Reltebon_Oxycodone hcl_Roxybond_Oxycodone hydrochloride cii_Carexil_Oxylan_Leveraxo_Oxycodone hydrochloride_Zomestine_Abtard_Longtec_Roxicodone_Candox_Lynlor_Endocodone_Oxynorm_Oxaydo_,,,,,,,,
CHEMBL1200891,,0,2.73,1,0.86,2.62,11.54,9.27,380.92,5,5,1,1,25,BASE,344.46,344.21,0,0,62.13,0.83,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,Daricon_Oxiphencyclimine chloride_Oxyphencyclimine hcl_Oxyphencyclimine hydrochloride_NSC-528449_,,,,,,,,
CHEMBL1200893,,0,2.08,2,0.24,1.48,9.86,8.98,367.83,6,6,4,4,24,BASE,331.37,331.142,0,0,91.18,0.61,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1.Cl,NSC-113490_Protokylol HCl_Ventaire_Protokylol hcl_Protokylol hydrochloride_,,,,,,,,
CHEMBL1200895,,2,0.69,1,1.2,1.2,None,5.55,234.28,2,2,2,3,10,NEUTRAL,136.2,136.1,0,0,38.05,0.47,Y,3,TRUE,FALSE,FALSE,0,FALSE,1,NNCCc1ccccc1.O=S(=O)(O)O,Nardil_NSC-170957_Phenelzine sulfate_Phenelzine acid sulfate_Phenelzine sulphate_,,,,,,,,
CHEMBL1200896,,1,3.04,0,-0.31,2.61,4.36,None,475.62,4,5,4,4,25,ACID,354.49,354.2406,0,0,97.99,0.32,N,12,FALSE,TRUE,FALSE,0,FALSE,0,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O.NC(CO)(CO)CO,PGF2A_Dinoprost tromethamine_Lutalyse_Prostin f2 alpha_Prostaglandin F 2 Alpha_U-14-583E_PGF2ALPHA THAM_U-14,583E_NSC-196515_U-14583E_Dinoprost trometamol_PGF2A THAM_Dinoprost Trometamol_,,,,,,,
CHEMBL1200901,,0,8.64,3,5.46,8.06,None,10.05,536.89,2,2,1,1,33,BASE,500.43,499.1657,2,2,23.47,0.28,N,10,TRUE,FALSE,FALSE,0,FALSE,0,CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12.Cl,WR-171669_Halfan_Halofantrine hcl_SKF-102886_Halofantrine hydrochloride_,,,,,,,,
CHEMBL1200903,,0,1.35,0,1.77,2.03,7.48,None,260.27,3,5,2,2,17,NEUTRAL,238.29,238.1317,0,0,75.27,0.56,N,5,TRUE,TRUE,TRUE,0,TRUE,0,C=CCC1(C(C)CCC)C(=O)[N-]C(=O)NC1=O.[Na+],Tuinal_Evronal sodium_Immenoctal_(rs)-secobarbital sodium_Seconal sodium_Secobarbital sodium_Barbosec_Seconesin_Pramil_Synate_Sebar_Quinalbarbitone sodium_NSC-10818_,,,,,,,,
CHEMBL1200904,,1,2.18,1,1.55,2.85,None,8.67,223.75,1,1,0,0,14,BASE,187.29,187.1361,0,0,3.24,0.65,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C#CCN(C)[C@H](C)Cc1ccccc1.Cl,Selegiline hydrochloride_NSC-759259_Selegiline hcl_Stilline 5_Centrapryl 5_Centrapryl 10_Eldepryl_Stilline 10_Zelapar_Ensam_L-deprenyl_Vivapryl_,,,,,,,,
CHEMBL1200906,,0,3.48,1,-0.2,-0.2,11.53,None,428.41,3,4,1,1,25,NEUTRAL,348.51,348.2533,0,0,46.53,0.58,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-],Spasmodin_NSC-759248_BA-5473_Oxifenon_Oxyfenon_Oxyphenon_Spasmophen_Antrenyl_Oxyphenonium bromide_C-5473_Antrenil_,,,,,,,,
CHEMBL1200907,H02CA01_,1,3.47,0,0.15,2.3,5.23,None,329.44,4,4,2,2,24,ACID,329.44,329.1991,0,0,76.78,0.67,N,0,TRUE,FALSE,FALSE,0,FALSE,0,C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O,Desopan_WIN-24540_WIN 24,540_Trilostane_NSC-758904_Modrastane_Modrenal_,,,,,,,
CHEMBL1200908,D07AC21_,1,4.05,0,3.84,3.84,13.56,None,484.97,5,5,1,1,33,NEUTRAL,484.97,484.1828,0,0,80.67,0.48,N,4,FALSE,FALSE,TRUE,1,FALSE,0,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Lexette_Halobetasol_Ulobetasol_CGP-14,458_21-chloro diflorasone_Ultravate_IDP-122_Halobetasol propionate_Ulobetasol propionate_Bryhali_Jemdel_BMY-30056_CGP-14458_,,,,,,,
CHEMBL1200909,A07EA01_C05AA04_D07AA03_D07XA02_H02AB06_S01BA04_S01CB02_R01AD02_S02BA03_S03BA02_,1,3.54,0,3.45,3.45,12.61,None,458.6,6,6,2,2,33,NEUTRAL,458.6,458.2668,0,0,100.9,0.63,N,4,FALSE,TRUE,FALSE,1,FALSE,0,CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,Prednisolone butylacetate_Prednisolone tebutate_Hydeltra-tba_Anhydrous prednisolone tebutate_,,,,,,,,
CHEMBL1200910,,2,1.62,2,0.72,0.72,None,1.61,309.35,6,7,1,2,21,NEUTRAL,309.35,309.0783,0,0,106.5,0.86,N,3,TRUE,FALSE,FALSE,1,FALSE,0,CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1,Acetylsulfisoxazole_Acetyl sulfisoxazole_Gantrisin_Lipo gantrisin_NSC-759138_Sulfisoxizole acetyl_Sulfafurazole acetyl_Sulfisoxazole acetyl_Gantrisin pediatric_Acetyl sulfafurazole_Acetylsulfafurazole_,,,,,,,,
CHEMBL1200912,,2,1.97,1,-0.55,2.08,None,10.25,185.7,1,1,1,2,11,BASE,149.24,149.1204,0,0,26.02,0.68,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(N)Cc1ccccc1.Cl,Lomaira_Obestin-30_Tora_Phentermine hcl_NSC-44090_Fastin_Ona-mast_Phentermine hydrochloride_Phentermine hydrochloride civ_Zantryl_Suprenza_Wilpo_Oby-trim_Adipex-p_,,,,,,,,
CHEMBL1200914,,1,2.34,2,0.47,2.04,9.93,9.28,444.98,6,7,2,3,28,BASE,408.52,408.1719,0,0,99.88,0.55,N,11,TRUE,FALSE,FALSE,0,FALSE,0,CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl,Flomax_Bazetham mr_Pamsvax xl_YM-617_Flomax mr_Harnal_Faramsil_LY253351_Maxtron_YM617_Tamsulosin hydrochloride_Tamsulosin hcl_LY-253351_Tabphyn mr_Flectone xl_Morvesin xl_Galebon_Flomax relief mr_YM-12617-1_Pinexel pr_Alphacard mr_R-(-)-YM-12617_Prosurin xl_Stronazon_Contiflo xl_Omnic mr_Diffundox_Flomaxtra xl_Losinate mr_Tamfrex xl_Tamurex_Petyme_Cositam xl_,,,,,,,,
CHEMBL1200916,,0,5.89,2,3.93,5.47,None,8.93,407.05,4,2,0,0,25,BASE,370.59,370.1537,1,1,6.48,0.62,N,4,TRUE,FALSE,FALSE,0,TRUE,1,CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl,Thioridazine hydrochloride intensol_Mellaril_Thioridazine hcl_Thioridazine hydrochloride_NSC-186060_,,,,,,,,
CHEMBL1200920,,0,1.91,1,-0.22,1.05,10.01,9.01,275.78,4,4,4,4,17,BASE,239.31,239.1521,0,0,72.72,0.59,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.Cl,Asthmalitan_Beta-2_Isoetharine hydrochloride s/f_Isoetarine hydrochloride_Isoetharine hcl_Dl-isoetharine hydrochloride_Numotac_Isoetharine hydrochloride_Bronkosol_,,,,,,,,
CHEMBL1200922,N05BC04_,0,1.23,0,1.21,1.21,None,None,232.28,4,6,2,4,16,NEUTRAL,232.28,232.1423,0,0,104.64,0.72,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CCC(C)C(C)(COC(N)=O)COC(N)=O,Ipotensivo_Prean_Mioartrina_Carbuten_Sigmafon_Mebutina_Dicamoylmethane_Dormate_Axiten_Mebutamat_NSC-163921_Preminex_Vallene_Butatensin_W-583_Encapla_Mebutamate_,,,,,,,,
CHEMBL1200927,,1,3.82,2,1.52,3.58,None,9.47,390.87,2,2,0,0,19,BASE,274.8,274.1237,0,0,16.13,0.82,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,Polaramine_Dexchlorpheniramine maleate_Mylaramine_D-chlorpheniramine maleate_Chlorpheniramine maleate, (s)-_Chlorpheniramine d-form maleate_NSC-759156_,,,,,,,
CHEMBL1200930,,0,2.99,3,2.09,2.09,9.35,4.24,381.43,5,6,1,1,25,NEUTRAL,359.45,359.1304,0,0,77.1,0.63,N,8,TRUE,FALSE,FALSE,0,FALSE,0,COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+],LY307640 SODIUM_E-3810 SODIUM_Rabeprazole sodium_Aciphex sprinkle_LY-307640_E-3810_Rabeprazole na_Aciphex_Sodium rabeprazole_NSC-759270_Pariet_LY-307640 SODIUM_Rabeprazole sodium salt_Idiazole_,,,,,,,,
CHEMBL1200933,,2,8.24,4,-0.28,-0.28,None,None,662.55,0,2,0,0,38,NEUTRAL,502.75,502.3337,2,2,0,0.16,N,9,FALSE,TRUE,FALSE,0,FALSE,0,C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.[Br-].[Br-],Hexaflurone bromide_Hexafluorenium bromide_NSC-19477_Mylaxen_Hexafluronium bromide_,,,,,,,,
CHEMBL1200934,,1,4.71,0,4.11,4.11,11.47,3.11,369.51,4,4,1,1,27,NEUTRAL,369.51,369.2304,0,0,58.89,0.33,N,2,TRUE,FALSE,FALSE,1,FALSE,0,C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,Dexnorgestrel acetime_ORF 10131_NSC-759159_Norgestimate_ORF-10131_RWJ 10131_RWJ-10131_,,,,,,,,
CHEMBL1200935,,1,3.96,3,1.9,4.54,None,10.11,507.47,3,4,1,2,32,BASE,426.56,426.2307,0,0,55.56,0.62,N,7,TRUE,FALSE,FALSE,0,FALSE,0,Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,Emselex_Enablex_UK-88525-04 (HYDROBROMIDE)_Darifenacin hydrobromide_Uk-88525-04 (hbr)_Darifenacin hbr_,,,,,,,,
CHEMBL1200936,,-1,None,None,None,None,None,None,588.73,None,None,None,None,None,NA,570.71,570.2512,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1.O,Duracillin a.s._Procaine Benzylpenicillin_Penicillin g procaine_Procaini benzylpenicillinum_Procaine penicillin_Benzylpenicillin procaine_Pfizerpen_Duracillin_Crysticillin_Wycillin_Crysticillin a.s._Procaine Penicillin_Procaine penicillin g_Pfizerpen-as_,,,,,,,,
CHEMBL1200937,,1,2.27,1,1.41,1.58,13.17,7.09,690.86,11,13,2,2,48,NEUTRAL,690.86,690.3299,2,2,176.42,0.4,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12,Dalfopristin_RP-54476_RP 54476_,,,,,,,,
CHEMBL1200940,,2,2,1,-0.25,1.4,None,9.04,354.28,4,5,2,3,20,BASE,299.8,299.1401,0,0,67.59,0.76,N,7,TRUE,TRUE,FALSE,0,FALSE,1,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl.O,"Metipamid_Metoclopramide hcl monohydrate_""clopra-""""yellow""""""_Clopra-""Yellow""_Metoclopramide hydrochloride monohydrate_Metoclomex_Mygdalon_Gastromax_Metox_Maxolon sr_Metoclopramide intensol_Metramid_Metoclopramide hydrochloride_NSC-757117_Clopra_Metoclopramide dihydrochloride monohydrate_Metoclopramide monohydrochloride monohydrate_Gastroflux_Reglan odt_AHR-3070-C_Primperan_Metozolv odt_Parmid_Gimoti_Gastrese l.a._Metoclopramidi hydrochloridum_Maxolon_Gastrobid continus_Reglan_",,,,,,,,
CHEMBL1200944,,1,-0.79,0,-4.35,-0.89,3.09,None,255.23,4,6,1,1,15,ACID,233.25,233.0358,0,0,91.75,0.6,N,1,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O.[Na+],CP-45899-2_Sulbactam sodium_Sulbactam (as sodium)_CP-45,899-2_Sulbactam sodium salt_,,,,,,,
CHEMBL1200945,,2,-2.68,0,-17.92,-6.27,0.54,10.62,497.36,8,13,5,5,27,ZWITTERION,393.35,393.1383,1,0,196.22,0.18,N,16,FALSE,TRUE,TRUE,0,FALSE,1,O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+].[Na+],Pentetate calcium trisodium_NSC-34249_Calcium trisodium dtpa_Calcium trisodium pentetate_,,,,,,,,
CHEMBL1200946,S01XA11_A14AB01_,1,7.18,0,7.32,7.32,None,None,428.66,3,3,0,0,31,NEUTRAL,428.66,428.329,1,1,43.37,0.29,N,9,FALSE,TRUE,FALSE,1,FALSE,0,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,Durabolin_Nandrolone decanoate_Deca-durabolin_Nandrolone decanoate ciii_,,,,,,,,
CHEMBL1200947,,0,2.27,1,0.52,2.74,None,9.67,345.87,5,5,2,2,22,BASE,309.41,309.194,0,0,67.79,0.6,N,7,FALSE,FALSE,TRUE,0,TRUE,0,CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C.Cl,Metipranolol hydrochloride_Metipranolol hcl_Optipranolol_Metipranolol_Betamann_,,,,,,,,
CHEMBL1200948,,0,4.12,2,2.75,4.76,None,9.42,410.51,2,2,0,0,22,BASE,294.44,294.2096,0,0,6.48,0.84,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)/C=C\C(=O)O,Surmontil_Stangyl_Trimipramine maleate_NSC-758386_,,,,,,,,
CHEMBL1200949,,2,-0.09,1,-2.38,-0.28,None,9.56,147.61,2,3,2,3,8,BASE,111.15,111.0796,0,0,54.7,0.56,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,Cl.NCCc1cc[nH]n1,Betazolium chloride_Histalog_Betazole dihydrochloride_Ametazole_NSC-759872_Betazole hydrochloride_Betazole hcl_,,,,,,,,
CHEMBL1200950,A03CA02_,0,2.7,2,-1.08,-1.08,11.05,None,432.36,3,4,1,1,26,NEUTRAL,352.45,352.1907,0,0,46.53,0.68,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],NSC-756686_Quarzan_RO-23773_RO 2-3773_Clidinium bromide_RO-2-3773_,,,,,,,,
CHEMBL1200951,N05AB02_,2,6.83,2,6.54,6.89,None,7.48,549.7,6,5,0,0,38,NEUTRAL,549.7,549.2637,2,2,36.02,0.21,N,12,FALSE,TRUE,FALSE,1,FALSE,0,CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,Fluphenazine enantate_Fluphenazine enanthate_Fluphenazine_Moditen enant_Fluphenazine maleate_Prolixin_SQ 16,114_Fluphenazini enantas_Prolixin enanthate_Flufenan_SQ 16144_,,,,,,,
CHEMBL1200952,,1,1.84,1,-0.44,2.24,None,10.21,185.7,1,1,1,1,11,BASE,149.24,149.1204,0,0,12.03,0.69,Y,3,TRUE,FALSE,FALSE,0,TRUE,1,CN[C@@H](C)Cc1ccccc1.Cl,Methylamfetamine hydrochloride_Methampex_Methamphetamine hydrochloride_Metamfetamine hydrochloride_Desoxyephedrine hydrochloride_Methamphetamine hydrochloride cii_Methamphetamine hcl_NSC-169505_Desoxyn_,,,,,,,,
CHEMBL1200953,D07AB11_,1,4.09,0,4,4,None,None,488.62,7,7,1,1,35,NEUTRAL,488.62,488.2774,0,0,106.97,0.54,N,7,FALSE,FALSE,TRUE,1,FALSE,0,CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,Hydrocortisone butyrate propionate_Hydrocortisone probutat_Hydrocortisone probutate_TS 408_Hydrocortisone buteprate_TS-408_Pandel_,,,,,,,,
CHEMBL1200955,,2,2.52,1,3.45,3.47,9.76,6.19,469.96,8,8,1,1,31,NEUTRAL,433.5,433.2101,0,0,94.53,0.47,N,9,FALSE,TRUE,FALSE,1,FALSE,1,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2.Cl,Mycophenolate mofetil hydrochloride_Cellcept_RS-61443-190_Mycophenolate mofetil hcl_,,,,,,,,
CHEMBL1200959,R06AD04_,0,4.24,2,2.52,3.94,None,8.81,296.44,3,2,0,0,21,BASE,296.44,296.1347,0,0,6.48,0.82,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCC(CN2c3ccccc3Sc3ccccc32)C1,Tacaryl_Methdilazine_,,,,,,,,
CHEMBL1200961,,0,3.93,2,1.68,3.75,None,9.48,435.32,2,2,0,0,19,BASE,319.25,318.0732,0,0,16.13,0.83,N,5,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,Dimetane-ten_Dimegan_Dimotane_Brompheniramine maleate_Dimotane l.a._NSC-758652_Parabromdylamine maleate_Dimetane_(+)-Brompheniramine Maleate_Brompheniramine fumarate_,,,,,,,,
CHEMBL1200962,,1,-1.28,1,-3.45,-4.22,2.82,3.62,571.51,10,11,2,3,32,ACID,480.57,480.125,1,0,150.04,0.21,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1.Cl.O.[Cl-],Cefepime hydrochloride monohydrate_Cefepime (as hydrochloride)_NSC-760051_BMY-28142 DIHYDROCHLORIDE MONOHYDRATE_Cefepime hcl_BMY-28142 2HCL.H20_Cefepime hydrochloride (arginine formulation)_BMY-28142 2HCL.H2O_Cefepime hydrochloride_Cefepime dihydrochloride hydrate_Maxipime_,,,,,,,,
CHEMBL1200963,S01EE03_,1,3.15,1,2.63,2.63,None,None,415.57,4,5,4,4,30,NEUTRAL,415.57,415.2723,0,0,89.79,0.31,N,12,FALSE,FALSE,TRUE,0,FALSE,0,CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1,AGN-192024_Bimatoprost_Latisse_AGN 192024_Lumigan_Prostamide_Durysta_,,,,,,,,
CHEMBL1200964,,2,4.17,2,2.48,4.81,None,9.76,313.87,1,1,0,0,21,BASE,277.41,277.183,0,0,3.24,0.81,N,3,TRUE,TRUE,FALSE,0,FALSE,1,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,Triptafen-m_Saroten retard_Amitriptylini hydrochloridum_Cytriptyline_Tryptizol_Tryptizol-75_Saroten_Elavil_Syneudon_Amitriptyline hydrochloride_Amitriptyline hcl_NIH 10794_Amitid_NSC-104210_Amitril_Endep_Triptafen_Domical_Etravil_Novoprotect_Limbitrol 5_Lentizol_,,,,,,,,
CHEMBL1200965,,0,1.3,1,1.25,1.47,11.72,7.23,501.99,9,10,2,3,32,NEUTRAL,465.53,465.157,0,0,137.26,0.35,N,7,TRUE,FALSE,FALSE,1,FALSE,0,CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.Cl,Ambaxin_Spectrobid_Bacampicillin hydrochloride_Bacampicillin hcl_NSC-758228_Becampicillin hydrochloride_,,,,,,,,
CHEMBL1200967,,0,4.12,2,2.94,4.42,None,8.87,370.72,2,2,0,0,20,BASE,334.26,333.0728,0,0,12.47,0.79,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1.Cl,Bromodiphenhydramine hydrochloride_Bromodiphenhydramine hcl_NSC-36113_Bromazine_Ambodryl_,,,,,,,,
CHEMBL1200968,S01BA02_A01AC03_H02AB09_A07EA02_D07AA02_C05AA01_S02BA01_D07XA01_S01CB03_,1,1.9,0,-2.42,1.15,1.18,None,486.41,6,8,4,4,30,ACID,442.45,442.1757,0,0,141.36,0.48,N,4,FALSE,TRUE,FALSE,1,FALSE,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],Hydrocortisone sodium phosphate_Cortisol 21-(disodium phosphate)_Hydrocortone_Efcortesol_,,,,,,,,
CHEMBL1200969,G04CB02_,1,6.58,1,5.79,5.79,12.56,None,528.54,2,4,2,2,37,NEUTRAL,528.54,528.2211,2,2,58.2,0.43,N,2,TRUE,FALSE,FALSE,0,FALSE,0,C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F,Avodart_GI 198745_Duastride_Dutasteride_GI-198745_NSC-740477_Avolve_GG-745_NSC-759880_,,,,,,,,
CHEMBL1200970,,0,5.02,2,2.82,5,None,9.6,348.94,3,2,0,0,22,BASE,312.48,312.166,1,1,6.48,0.77,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl,Profenamine hibenzate_NSC-64074_NSC-169467_Ethopropazine hcl_Prophenamine hydrochloride_Parsidol_Profenamine hydrochloride_Ethopropazine hydrochloride_Profenamine_,,,,,,,,
CHEMBL1200971,,1,-0.01,1,-3.34,-2.98,3.15,7.23,405.43,7,9,3,4,28,ACID,405.43,405.0995,0,0,139.03,0.44,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1,Cefaloglycin_Cephaloglycin_Kefocin_Cefaloglycin dihydrate_Cephaloglycin dihydrate_Cephaloglycin anhydrous_Kafocin_39435_,,,,,,,,
CHEMBL1200972,,0,3.53,2,1.97,3.46,13.18,8.87,326.27,2,2,1,1,20,BASE,289.81,289.1233,0,0,23.47,0.91,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl.Cl,Chlophedianol hcl_Coldrin_Clofedanol hydrochloride_Pectolitan_Chlophedianol hydrochloride_SL 501_SL-501_Sk-74_BAYER-186_Ulone_,,,,,,,,
CHEMBL1200973,G03CA53_G03CA03_,1,6.13,1,6.49,6.49,10.33,None,396.57,3,3,1,1,29,NEUTRAL,396.57,396.2664,1,1,46.53,0.62,N,4,FALSE,TRUE,FALSE,1,FALSE,1,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,Depo_Estradiol 17.beta.-cyclopentanepropanoate_Estradiol cypionate_NSC-3354_Estradiol cipionate_Depo-estradiol_,,,,,,,,
CHEMBL1200974,,0,3.4,2,1.79,3.27,None,8.87,406.87,3,3,0,0,20,BASE,290.79,290.1186,0,0,25.36,0.82,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,Karbinal er_NSC-62362_Clistin_Davenol_Carbinoxamine maleate_,,,,,,,,
CHEMBL1200975,D07AB21_,1,4.6,0,4.72,4.72,13.83,None,495.03,5,5,1,1,34,NEUTRAL,495.03,494.2235,0,0,80.67,0.46,N,3,FALSE,FALSE,TRUE,0,FALSE,0,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,SH 863_Clocortolone pivalate_Cloderm_Clocortolone 21-pivalate_SH-863_,,,,,,,,
CHEMBL1200976,,1,1.02,2,1.06,1.51,8.02,9.18,533.96,10,10,5,6,36,BASE,497.5,497.1686,1,0,176.61,0.33,N,3,FALSE,TRUE,FALSE,0,FALSE,1,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl,IMI 30_Zavedos_IMI-30_NSC-256439_Idarubicin hcl_Idamycin_Idarubicin hydrochloride_Idamycin pfs_Idarubicin hydrochloride pfs_,,,,,,,,
CHEMBL1200977,,2,1.62,2,0.12,0.33,7.54,4.82,301.3,3,4,1,1,16,NEUTRAL,211.22,211.0746,0,0,69.54,0.78,N,1,FALSE,TRUE,FALSE,0,FALSE,0,CC(O)C(=O)O.Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,Milrinone lactate_Primacor_,,,,,,,,
CHEMBL1200980,,1,3.29,1,1.46,3.83,-1.75,None,436.57,4,5,1,1,24,ACID,350.44,350.1188,0,0,80.67,0.83,N,2,TRUE,FALSE,TRUE,0,FALSE,1,C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,Ogen .625_Ogen_Piperazine estrone sulphate_Harmogen_Sulestrex piperazine_Ogen 2.5_Estrone sulfate piperazine salt_Piperazine estrone sulfate_Ogen 1.25_Ogen 5_Ortho-est_NSC-758912_Estropipate_,,,,,,,,
CHEMBL1200981,,1,0,2,0.1,0.53,8,9.03,579.99,12,12,6,7,39,BASE,543.53,543.1741,3,3,206.07,0.24,N,5,FALSE,TRUE,FALSE,0,FALSE,1,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl,Epirubicin hydrochloride_NSC-759195_Farmorubicin_Epirubicin hcl_Farmorubicina_IMI-28_WP-697_Pharmorubicin_Ellence_,,,,,,,,
CHEMBL1200982,,0,0.79,0,1.19,1.45,7.48,None,234.23,3,5,2,2,15,NEUTRAL,212.25,212.1161,0,0,75.27,0.68,N,3,TRUE,FALSE,FALSE,0,FALSE,0,CCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+],Secbutabarbital sodium_Mebutal_Sarisol_Buticaps_NSC-11778_Sodium butabarbital_Butalan_Sarisol no. 2_Loubarb_Sarisol no. 1_Astrudion_Butabarbital_Butabarb_Butisol sodium_Butabarbital sodium_Butabarbital sodium salt_,,,,,,,,
CHEMBL1200984,,0,2.27,1,-0.37,1.64,None,9.45,524.95,7,7,2,3,28,BASE,408.88,408.1452,0,0,99.88,0.5,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)/C=C\C(=O)O,UK-48,340-11_Amlodipine maleate_Amvaz_UK-48340-11_,,,,,,,
CHEMBL1200986,N05AD01_,2,8.12,2,7.02,7.91,None,8.24,530.12,4,4,0,0,37,NEUTRAL,530.12,529.2759,2,2,46.61,0.13,N,15,FALSE,TRUE,FALSE,1,FALSE,1,CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,Haldol Dec_R-13,672_Haldol_Haloperidol decanoate_R-13672_Halomonth_,,,,,,,
CHEMBL1200987,,2,4.74,3,0.06,3.75,3.47,6.67,520.63,5,6,2,2,30,ACID,424.52,424.1457,0,0,92.42,0.46,N,10,TRUE,FALSE,FALSE,0,FALSE,1,CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O,Eprosartan mesilate_Eprosartan monomethanesulfonate_SK&F 108566-J_Teveten_Eprosartan mesylate_SK&F-108566-J_,,,,,,,,
CHEMBL1200988,,2,3.95,2,-0.47,-0.47,None,None,420.35,3,4,0,0,25,NEUTRAL,340.44,340.1907,0,0,35.53,0.59,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21.[Br-],Banthine_Methanthelinium bromide_NSC-32145_Dixamone bromide_Vagantin_Methantheline bromide_,,,,,,,,
CHEMBL1200989,D07AB10_S01BA10_,1,3.94,0,3.97,3.97,None,None,521.05,7,7,1,1,36,NEUTRAL,521.05,520.2228,1,1,106.97,0.42,N,6,FALSE,FALSE,TRUE,1,FALSE,0,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl,SCH-22219_Aclovate_Alclometasone 17,21-dipropionate_Modrasone_SCH 22219_Alclometasone dipropionate_NSC-758914_Alclometasone_,,,,,,,
CHEMBL1200991,,0,2.5,2,0.2,3.63,3.29,None,516.55,6,8,2,2,35,ACID,494.57,494.1512,0,0,113.01,0.27,N,6,TRUE,FALSE,FALSE,1,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],Geocillin_Carindacillin sodium salt_CP-15464-2_CP-15,464-2_Carindacillin sodium_Carbenicillin indanyl sodium_,,,,,,,
CHEMBL1200993,,2,5.45,1,-7.72,-7.72,None,None,891.54,3,6,0,0,36,NEUTRAL,510.83,510.4618,2,2,27.69,0.21,N,21,FALSE,TRUE,FALSE,0,FALSE,0,CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-],Flaxedil_NSC-102690_Gallamone triethiodide_Relaxan_Gallamine triethiodide_Syncurarine_Benzcurine iodide_Gallamini triethiodidum_Remyolan_Benzcurine Iodide_Gallomone Triethiodide_,,,,,,,,
CHEMBL1201000,,2,0.07,1,-0.28,-0.22,8.23,None,260.14,6,9,1,1,17,NEUTRAL,238.16,238.0338,0,0,118.05,0.35,N,3,FALSE,TRUE,FALSE,0,FALSE,0,O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)[N-]1.[Na+],Ivadantin_Sodium nitrofurantoin_Nitrofurantoin sodium_,,,,,,,,
CHEMBL1201001,,2,1.4,0,1.5,1.52,None,6.08,192.52,1,1,0,0,8,NEUTRAL,156.06,155.0269,0,0,3.24,0.56,N,4,FALSE,TRUE,TRUE,0,FALSE,1,CN(CCCl)CCCl.Cl,Nitrogen mustard_Mustine_Chlormethine hcl_Valchlor_Mechlorethamine hcl_Mechlorethamine hydrochloride_Hn2 hydrochloride_NSC-762_Mustargen_Nitrogen mustard n-oxide hydrochloride_Chlormethini hydrochloridum_Chlormethine hydrochloride_,,,,,,,,
CHEMBL1201002,,0,1.7,1,-0.89,1.42,13.41,9.76,328.84,4,5,3,3,21,BASE,292.38,292.1787,0,0,70.59,0.77,N,5,TRUE,FALSE,TRUE,0,FALSE,0,CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2.Cl,Ocupress_NSC-300906_Cartrol_OPC-1085_Carteolol hydrochloride_ABBOTT-43326_Teoptic_Carteolol hcl_,,,,,,,,
CHEMBL1201003,,1,3.82,3,2.76,3.77,None,8.37,463.44,3,4,1,1,27,NEUTRAL,382.53,382.1715,0,0,53.17,0.71,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,NSC-759258_Eletriptan hydrobromide_Eletriptan hbr_Relpax_UK-116,044-04_UK-116044-04_,,,,,,,
CHEMBL1201005,,1,-0.92,2,-6.86,-2.52,-1.32,None,586.54,12,14,4,4,35,ACID,542.58,542.0348,2,2,204.91,0.17,N,9,FALSE,TRUE,FALSE,0,FALSE,0,O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12.[Na+].[Na+],Cefonicid disodium salt_SK&F-D-75073-Z2_Monocid_SK&F D-75073-Z2_Cefonicid sodium_Cefonicide sodium_,,,,,,,,
CHEMBL1201006,,2,2.66,2,1.66,3.04,None,8.76,401.46,4,4,0,0,21,BASE,285.39,285.1841,0,0,28.6,0.78,N,7,TRUE,FALSE,TRUE,0,FALSE,0,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\C(=O)O,Neo-antergan_Histalon_Paraminyl_Stamine_Anthisan_Pyramal_Histan_Mepyramine maleate_Stangen_Thylogen_Histapyran_Parmal_Enrumay_Pyrilamine maleate_Dorantamin_Antamine_Histatex_NSC-3604_,,,,,,,,
CHEMBL1201010,H02AA02_,1,2.44,0,1.76,1.76,12.58,None,422.49,6,6,2,2,30,NEUTRAL,422.49,422.2105,0,0,100.9,0.68,N,3,TRUE,FALSE,FALSE,1,FALSE,0,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Fludrocortisone 21-acetate_Fludrocortone_Fluorocortisol acetate_Scherofluron_Panotile_Fludrocortisone acetate_Florinef_Fluorhydrocortisone acetate_Fludrocortisoni acetas_NSC-15186_Astonin_,,,,,,,,
CHEMBL1201011,,1,2.57,2,0.31,1.96,3.7,5.2,474.99,5,7,2,2,32,ACID,438.52,438.2155,0,0,95.94,0.58,N,9,TRUE,FALSE,FALSE,1,FALSE,1,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.Cl,CI 906_Quinapril hcl_CI-906_Accupril_Quinapril hydrochloride_Quinil_NSC-758222_Accupro_,,,,,,,,
CHEMBL1201012,D07AC07_,1,2.5,0,1.56,1.56,13.74,None,436.52,6,6,2,2,31,NEUTRAL,436.52,436.2261,0,0,93.06,0.69,N,2,FALSE,FALSE,TRUE,0,FALSE,0,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,Haelan-c_Cordran_Cordran sp_Haelan-x_Haelan_Flurandrenolone_Fludroxicortide_33379_Fludroxycortide_Flurandrenolide_NSC-757869_,,,,,,,,
CHEMBL1201013,,2,2.91,2,-2.49,4.39,2.93,None,346.21,6,8,4,4,22,ACID,302.24,302.0539,0,0,139.78,0.64,N,4,TRUE,FALSE,FALSE,1,FALSE,0,O=C([O-])c1cc(/N=N/c2ccc(O)c(C(=O)[O-])c2)ccc1O.[Na+].[Na+],Azodisal sodium_CJ 91B_Disodium azodisalicylate_CJ-91B_Olsalazine sodium_Sodium olsalazine_Ads_Olsalazine disodium salt_Sodium azodisalicylate_Dipentum_,,,,,,,,
CHEMBL1201014,,1,1.67,0,-2.42,1.15,1.18,None,484.39,6,8,4,4,30,ACID,440.43,440.16,0,0,141.36,0.48,N,4,TRUE,TRUE,TRUE,0,FALSE,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],Hydeltrasol_Pediapred_Orapred odt_Inflamase forte_Inflamase mild_Cortisate_Metreton_Prednisolone 21-disodium phosphate_Codelsol_Orapred_Predair_Predsol-n_Prednisoloni natrii phosphas_Predair forte_Inflamase_Prednisolone sodium phosphate_Predsol_NSC-759187_,,,,,,,,
CHEMBL1201015,,-1,None,None,None,None,None,None,204.11,None,None,None,None,None,NA,204.11,204.0215,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3],Acetic acid, aluminum salt_Aluminum acetate_Buro-sol concentrate_Acetic acid, aluminum salt (3:1)_Aluminium acetate_Buro-sol_Domeboro_,,,,,,
CHEMBL1201016,,0,0.83,1,1.33,1.33,10.99,3.28,557.61,14,14,2,3,37,NEUTRAL,557.61,557.125,2,2,180.97,0.14,N,10,TRUE,FALSE,FALSE,1,FALSE,0,COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1,NSC-759161_Cefpodoxime proxetil_Banan_CS-807_U-76252_Vantin_,,,,,,,,
CHEMBL1201018,J01DC04_,1,0.62,1,-2.66,-2.31,2.83,7.23,385.83,5,7,3,4,24,ACID,367.81,367.0394,0,0,112.73,0.67,N,4,TRUE,FALSE,FALSE,0,FALSE,0,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1.O,COMPOUND-99638_Cefaclor monohydrate_J01DC04_Raniclor_NSC-757422_COMPOUND 99638_Distaclor_Distaclor mr_Cefaclor_Ceclor cd_Ceclor_Keftid_Bacticlor mr_,,,,,,,,
CHEMBL1201019,,1,-0.56,1,-3.61,-0.94,2.66,3.6,405.39,9,10,3,4,25,ACID,383.41,383.0358,0,0,147.21,0.35,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1.[Na+],Epocelin_Ceftizoxime sodium_FR-13749_FR 13749_SK&F-88373-Z_SK&F 88373-Z_Sodium ceftizoxime_Cefizox_FK-749_FK 749_Ceftizoxime sodium salt_,,,,,,,,
CHEMBL1201020,,0,3.36,2,0.57,3.47,None,10.42,437.48,3,4,1,2,25,BASE,339.48,339.2311,0,0,59.22,0.8,N,8,TRUE,FALSE,FALSE,0,FALSE,1,CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.O=P(O)(O)O,Rythmodan ret_Rythmodan_Isomide cr_Dirythmin sa_Dirythmin-sa_NSC-756744_Norpace_Dirythmin_SC-7031 PHOSPHATE_Disopyramide phosphate_Norpace cr_SC-13957_Diso-duriles_,,,,,,,,
CHEMBL1201022,,2,2.66,2,2.58,2.69,None,6.86,249.71,5,5,2,4,16,NEUTRAL,213.24,213.1014,0,0,89.65,0.75,N,2,TRUE,FALSE,FALSE,0,FALSE,0,Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1,Phenazopyridine hcl_Uropyrine_W 1655_NC-150_W-1655_Phenazopyridine hydrochloride_NSC-1879_Pyridium_NC 150_,,,,,,,,
CHEMBL1201023,N04AB02_,0,3.66,2,2.69,4.17,None,8.87,305.85,2,2,0,0,20,BASE,269.39,269.178,0,0,12.47,0.79,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccccc1C(OCCN(C)C)c1ccccc1.Cl,Biorphen_Orphenadrine hydrochloride_Disipal_NSC-82357_Orphenadrine (chloride)_Orphenadrine Chloride_Orphenadrine hcl_Mephenamin_,,,,,,,,
CHEMBL1201027,A03AB02_R03BB06_,0,2.46,1,-1.41,-1.41,11.53,None,398.34,3,4,1,1,23,NEUTRAL,318.44,318.2064,0,0,46.53,0.69,N,4,TRUE,TRUE,TRUE,0,FALSE,0,C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-],Tarodyl_ORG-NC-45_Robinul_Glycopyrrolate_Robinul fte_NVA-237_Glycopyrronium (as bromide)_Robinul forte_Seebri_AHR-504_Lonhala magnair kit_NSC-250836_Glycopyrrolate, erythro-_Cuvposa_NVA237_AD-237_PT001_Sialanar_Glyrx-pf_Nodapton_NSC-251252_CHF-5259_NSC-251251_Glycopyrronium bromide_Glycopyrrone bromide_PT-001_Robanul_CHF5259_Tarodyn_,,,,,,,
CHEMBL1201032,,2,1.91,3,-0.37,1.77,None,9.56,391.48,4,5,1,1,20,BASE,269.35,269.164,0,0,49.74,0.77,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1,NSC-758919_MK-0462_Maxalt_Maxalt-mlt_Rizatriptan benzoate_,,,,,,,,
CHEMBL1201035,,1,3.96,1,1.64,3.54,13.82,9.3,347.93,2,2,1,1,23,BASE,311.47,311.2249,0,0,23.47,0.83,N,5,TRUE,FALSE,FALSE,0,FALSE,0,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,Biperideni hydrochloridum_Akinophyl_NSC-84989_Akineton ret_Tasmolin_Biperiden hydrochloride_Biperiden hcl_Akineton_NSC-170950_,,,,,,,,
CHEMBL1201037,,0,-0.23,0,-3.13,-2.91,2.19,10.2,236.65,3,4,3,5,12,ZWITTERION,182.17,182.0867,0,0,89.34,0.55,N,5,FALSE,TRUE,TRUE,0,FALSE,0,Cl.NCCCC(N)(C(=O)O)C(F)F.O,NSC-270295_Eflornithine hcl_MDL-71782-A_Eflornithine hydrochloride_MDL-71782A_Difluromethylornithine_RMI-71782-A_MDL 71,782 A_Dfmo hcl_Vaniqa_Eflornithine hydrochloride monohydrate_NSC-337250_Ornidyl_,,,,,,,
CHEMBL1201038,,-1,None,None,None,None,None,None,388.51,None,None,None,None,None,NA,388.51,388.2151,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12,SCH-7056_Acrisorcin_Akrinol_SCH 7056_NSC-758691_,,,,,,,,
CHEMBL1201039,,2,2.24,2,1.27,1.97,6.45,None,431.95,6,7,2,3,26,ACID,431.95,430.9835,0,0,118.69,0.75,N,5,TRUE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,Benzthiazide_Exna_Aquatag_Urese_NSC-755902_Benzothiazide_Fovane_,,,,,,,,
CHEMBL1201041,,1,0.09,1,-3.7,-0.33,3.49,None,483.48,6,11,4,4,32,ACID,461.5,461.1369,1,0,148.15,0.45,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],BAY-E-6905_BAY-E 6905_Azlocillin sodium_Azlin_Azlocillin sodium salt_Securopen_,,,,,,,,
CHEMBL1201042,,2,-0.99,0,-7.2,-2.28,0.7,None,249.99,3,7,5,5,11,ACID,206.03,205.9745,0,0,135.29,0.37,N,2,TRUE,TRUE,FALSE,0,FALSE,0,CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+],Turpinal 2nz_Etidronate disodium_NSC-759157_Didronel pmo_Didronel iv_Didronel_Disodium etidronate_Etidronic acid disodium salt_,,,,,,,,
CHEMBL1201043,,1,0.48,1,-4.17,-2.05,3.35,4.99,445.45,8,9,2,2,28,ACID,423.47,423.0559,0,0,125.9,0.37,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.[Na+],Cephapirin sodium_BL-P-1322_Cefapirin sodium_Cefadyl_BL-P 1322_Sodium cefapirin_Cephapirin sodium salt_NSC-179171_,,,,,,,,
CHEMBL1201044,,2,2.29,2,1.98,2.42,None,7.64,361.92,5,5,0,0,24,NEUTRAL,325.46,325.2266,0,0,37.19,0.86,N,4,FALSE,FALSE,TRUE,0,FALSE,0,Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1.Cl,Rev-eyes_Dapiprazole hydrochloride_Dapiprazole hcl_Dapiprazole monohydrochloride_AF-2139_AF 2139_,,,,,,,,
CHEMBL1201046,J01DC11_,1,-0.71,2,-6.38,-3.18,2.75,8.93,519.57,11,13,4,5,35,ZWITTERION,519.57,519.0995,2,2,193.63,0.23,N,10,FALSE,TRUE,FALSE,0,FALSE,0,NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12,BL-S786_Precef_Ceforanide_NSC-760049_,,,,,,,,
CHEMBL1201047,,2,3.41,2,2.15,3.64,None,8.88,388.94,4,4,1,2,26,BASE,352.48,352.2151,0,0,55.56,0.64,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.Cl,Anileridine dihydrochloride_Anileridine hydrochloride cii_Anileridine hydrochloride_Apodol_Leritine_Leritine dihydrochloride_Aldine_Anileridine hcl_,,,,,,,,
CHEMBL1201048,,1,5.17,0,5.1,5.1,None,None,360.54,3,3,0,0,26,NEUTRAL,360.54,360.2664,1,1,43.37,0.64,N,2,FALSE,TRUE,FALSE,1,FALSE,0,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C,Dromostanolone propionate_Permastril_Masteron_Masteril_NSC-12198_Drostanolone propionate_Drostanolone_Masterid_NSC-1298_32379_Dromostanolone_Drolban_,,,,,,,,
CHEMBL1201049,,0,5.8,3,5.32,5.35,None,6.48,444.7,3,3,0,0,24,NEUTRAL,381.69,380.025,1,1,27.05,0.54,N,6,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,Ecostatin-1_Spectazole_SQ13050_SQ 13050_Ecoza_SQ-13050_Ecostatin_Gyno-pevaryl once_Pevaryl_R-14827_Ecostatin twin pack_R14827_Gyno-pevaryl 150_Gyno-pevaryl 1 cp pack_Gyno-pevaryl_Econazole nitrate_NSC-243115_R 14,827_,,,,,,,
CHEMBL1201050,,2,0.18,3,-1.38,0.24,2.6,0.39,266.31,6,7,1,1,17,ACID,228.22,228.076,0,0,88.83,0.64,N,1,FALSE,FALSE,TRUE,0,FALSE,0,Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+],Pemirolast potassium salt_BMY-26517_Pemirolast potassium_Alamast_Alegysal_Permirolast potassium_,,,,,,,,
CHEMBL1201051,,2,0.6,1,-0.22,-0.11,13.38,6.91,288.81,4,6,3,3,17,NEUTRAL,252.35,252.1157,0,0,88.89,0.23,N,5,TRUE,TRUE,FALSE,0,FALSE,0,CN/C(=N\CCSCc1nc[nH]c1C)NC#N.Cl,Cimetidine hcl_Cimetidine hydrochloride_Tagamet_,,,,,,,,
CHEMBL1201052,,0,4.9,2,2.72,3.57,None,8.19,544.76,4,3,0,0,26,NEUTRAL,386.59,386.1487,0,0,23.55,0.75,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21.O=S(=O)(O)c1ccccc1,Serentil_Mesoridazine benzenesulfonate_Mesoridazine besilate_Mesoridazine besylate_NSC-760073_,,,,,,,,
CHEMBL1201056,,2,0.65,2,0.05,0.05,10.55,2.17,294.34,6,7,2,3,20,NEUTRAL,294.34,294.0787,0,0,107.08,0.8,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O,Sulfacytine_Renoquid_Sulfacitine_NSC-356717_CI-636_,,,,,,,,
CHEMBL1201057,,1,1.43,0,-4.19,-1.27,2.53,9.14,380.44,5,7,4,5,24,ZWITTERION,358.46,358.1562,0,0,129.72,0.32,N,11,FALSE,TRUE,FALSE,0,FALSE,0,CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)[O-].[Na+],MK-791_Cilastatin sodium_Cilastatin sodium salt_,,,,,,,,
CHEMBL1201059,,2,2.21,1,-0.78,2.38,None,10.4,290.2,2,5,5,5,17,BASE,253.74,253.1094,0,0,83.79,0.41,N,2,TRUE,FALSE,FALSE,1,FALSE,0,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,Proguanil hydrochloride_Proguanili hydrochloridum_336U50_Palusil_GW AH7673A_Chloroguanide hydrochloride_Drinupal_M-4888_Chlorguanide hydrochloride_RP-3359_Proguanil hcl_NSC-26614_Chloroquanil_NSC-12977_Proguanil chloride_Paludrine_Diguanyl_336-U-50_SN-12837_Proguanil_Guanatol_GW-AH7673A_GWAH7673A_,,,,,,,,
CHEMBL1201060,,2,3.77,2,3.26,3.46,None,7.18,364.28,4,4,0,0,23,NEUTRAL,327.81,327.1138,0,0,28.07,0.74,N,0,TRUE,TRUE,FALSE,0,FALSE,0,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.Cl,Loxitane im_Loxapine hcl_Loxitane c_Loxapine hydrochloride_,,,,,,,,
CHEMBL1201061,,1,1.31,1,-1.32,0.34,10.12,9.4,275.78,4,4,4,4,17,BASE,239.31,239.1521,0,0,72.72,0.64,N,4,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl,Albuterol hydrochloride, r-_Levalbuterol hcl_NSC-759255_Xopenex_Levalbuterol hydrochloride_Levosalbutamol hydrochloride_Albuterol (r)-form hydrochloride_,,,,,,,
CHEMBL1201063,,0,3.24,2,1.34,3.54,None,9.63,377.91,4,4,2,2,25,BASE,341.45,341.1991,0,0,58.56,0.49,N,11,TRUE,FALSE,FALSE,0,FALSE,1,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl,NSC-758640_Rytmonorm_Rythmol sr_Propafenone hydrochloride_Propafenone hcl_Rythmol_Arythmol_,,,,,,,,
CHEMBL1201064,S01BA07_D07AB06_D07XB04_S01CB05_C05AA06_D10AA01_,1,3.49,0,2.86,2.86,13.64,None,418.51,5,5,1,1,30,NEUTRAL,418.51,418.2156,0,0,80.67,0.69,N,2,FALSE,FALSE,TRUE,1,FALSE,0,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,U-17,323_Flarex_Fluorometholone acetate_NSC-47438_U-17323_Fluorometholone 17-acetate_,,,,,,,
CHEMBL1201065,,0,1.93,0,2.25,2.91,6.66,None,276.34,2,4,2,1,17,NEUTRAL,254.35,254.1089,0,0,58.53,0.45,N,5,FALSE,TRUE,FALSE,0,FALSE,0,C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+],Thiamylal sodium_Thiamylal sodium salt_Sodium thiamylal_NSC-759558_Surital_,,,,,,,,
CHEMBL1201066,,0,3.04,1,1.22,2.74,None,8.91,313.87,3,3,1,1,20,BASE,277.41,277.2042,0,0,32.7,0.9,N,5,TRUE,FALSE,FALSE,0,FALSE,1,COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl,Venlafaxine hydrochloride_Venlafaxine (as hydrochloride)_Venlafaxine hcl_WY-45,030_NSC-745751_Effexor xr_Effexor_WY-45030_,,,,,,,
CHEMBL1201067,,1,3.96,1,1.64,3.54,13.82,9.3,401.55,2,2,1,1,23,BASE,311.47,311.2249,0,0,23.47,0.83,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CC(O)C(=O)O.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,Akineton_Biperiden lactate_,,,,,,,,
CHEMBL1201068,,0,4.83,2,3.58,4.55,None,8.32,376.95,4,3,0,0,24,NEUTRAL,340.49,340.1609,0,0,23.55,0.73,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2.Cl,Propiomazine hcl_Largon_Propiomazine hydrochloride_,,,,,,,,
CHEMBL1201071,,1,-0.21,1,-3.7,-3.47,2.91,8.81,542.43,9,10,6,7,32,ZWITTERION,444.44,444.1533,1,1,181.62,0.34,N,2,TRUE,FALSE,FALSE,0,TRUE,0,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.O=P(O)(O)O,Tetracycline metaphosphate_Tetracycline hexametaphosphate_Tetrex_Tetracycline phosphate complex_,,,,,,,,
CHEMBL1201073,,1,-0.25,0,-5.1,0.26,3.37,None,182.22,4,4,4,2,10,ACID,182.22,181.9708,0,0,74.6,0.45,N,3,TRUE,FALSE,FALSE,0,FALSE,0,O=C(O)[C@H](S)[C@H](S)C(=O)O,Dim-Sa_Dimercaptosuccinic Acid_DMS-A_DIM-SA_Chemet_RO 1-7977_Meso-2,3-dimercaptosuccinic acid_Succimer_DMSA_,,,,,,,
CHEMBL1201080,,2,1.26,2,1.1,1.28,None,7.16,326.78,7,7,2,4,21,NEUTRAL,290.32,290.1379,0,0,105.51,0.85,N,5,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cl,Primsol_Trimethoprim hydrochloride_Trimethoprim hcl_,,,,,,,,
CHEMBL1201081,H02AB04_D07AA01_D10AA02_,1,2.22,0,-1.5,1.83,3.66,None,496.53,7,8,3,3,34,ACID,474.55,474.2254,0,0,138.2,0.5,N,6,FALSE,TRUE,FALSE,1,FALSE,0,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12.[Na+],Solu-medrone_NSC-48989_Methylprednisolone_A-methapred_Solu-medrol_Methylprednisolone sodium succinate_Urbasone_Min-i-mix_Methylprednisolone 21-succinate sodium salt_,,,,,,,,
CHEMBL1201082,,0,4.44,2,1.83,4.17,None,9.8,345.79,2,2,1,1,22,BASE,309.33,309.134,0,0,21.26,0.85,N,6,TRUE,FALSE,FALSE,0,FALSE,1,CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl,Olena_Fluneurin_Lovan_Selfemra_Prozac 60_Prozep_Foxetin_Ranflutin_Fluoxetine (as hydrochloride)_Fluoxeren_Sarafem_Fontex_Reconcile_LY-110140_Fluxet_Flusol_Fluox-puren_Prozac_Prozac weekly_Fluoxetine hydrochloride_Fluctin_Fluoxetine_Oxactin_Prozit_LY110140_Felicium_Adofen_,,,,,,,,
CHEMBL1201087,G02CB03_N04BC06_,1,3.19,2,-0.05,2.58,None,9.32,451.62,4,7,2,2,33,BASE,451.62,451.2947,0,0,71.68,0.6,N,8,TRUE,FALSE,FALSE,0,FALSE,0,C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,Dostinex_Cabergoline_FCE 21336_FCE-21336_Cabaser_Velactis_,,,,,,,,
CHEMBL1201089,,2,3.35,2,2.17,3.65,None,8.87,447.48,2,2,0,0,19,BASE,255.36,255.1623,0,0,12.47,0.78,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCOC(c1ccccc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,Diphenhydramine laurylsulfate_Diphenhydramine citrate_Diphenhydramine_Diphenhydramine tannate_,,,,,,,,
CHEMBL1201093,,2,-0.53,0,-1.42,-0.85,None,7.83,181.62,4,4,1,2,10,NEUTRAL,145.16,145.0739,0,0,69.39,0.54,N,4,FALSE,FALSE,TRUE,1,FALSE,0,COC(=O)CCC(=O)CN.Cl,Metvixia_Methyl aminolevulinate hydrochloride_Methyl aminolevulinate hcl_P-1202_,,,,,,,,
CHEMBL1201098,,0,-1.4,1,-7.1,-0.38,3.03,None,619.6,14,15,4,5,36,ACID,575.63,575.0021,2,2,219.93,0.07,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)[O-])S2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+].[Na+],Cefotetan disodium salt_Cefotetan_Yamatetan_YM-09330_Cefotetan disodium_Cefotetan sodium_Cefotan_,,,,,,,,
CHEMBL1201099,,1,1.5,1,-0.45,1.34,13.78,9.19,415.38,4,4,1,1,22,BASE,299.37,299.1521,0,0,41.93,0.8,N,1,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.O.O=P(O)(O)O,Colrex compound_Codeine phosphate_Ambenyl cough syrup_Evacode_Codeine phosphate hydrate_Codeine phosphate bp_Codeine phosphate anhydrous_Codeine phosphate cii_Methylmorphine_Codeini phosphas_Bepro_Codeine phosphate hemihydrate_Galcodine_,,,,,,,,
CHEMBL1201101,G03BA03_,1,6.4,0,6.11,6.11,None,None,412.61,3,3,0,0,30,NEUTRAL,412.61,412.2977,1,1,43.37,0.5,N,4,FALSE,TRUE,FALSE,1,FALSE,0,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,NSC-9157_Testosterone cypionate ciii_Depotest_Andro-Cyp_Testosterone cyclopentylpropionate_Testosterone 17.beta.-cyclopentanepropionate_Testosterone_Testosterone cypionate_Depo-testosterone_Depandro_Depo-Testadiol_Testosterone cipionate_,,,,,,,,
CHEMBL1201102,,2,5.26,2,3.01,4.81,None,9.2,388.89,3,2,0,0,24,BASE,352.43,352.1221,1,1,6.48,0.74,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl,Triflupromazine hydrochloride_NSC-14959_Vesprin_MC-4703_NSC-17473_Triflupromazine hcl_,,,,,,,,
CHEMBL1201103,,0,1.08,1,-1.28,0.57,13.61,9.28,247.72,4,4,2,3,15,BASE,211.26,211.1208,0,0,64.71,0.78,N,4,FALSE,TRUE,FALSE,0,FALSE,0,COc1ccc(OC)c(C(O)C(C)N)c1.Cl,Methoxamine hcl_Vasoxine_Methoxamine hydrochloride_NSC-757102_Vasoxyl_,,,,,,,,
CHEMBL1201104,,2,-1.02,0,0.38,0.39,None,5.88,319.37,4,4,0,0,10,NEUTRAL,140.19,140.1062,0,0,12.96,0.43,N,0,TRUE,FALSE,FALSE,1,FALSE,0,C1N2CN3CN1CN(C2)C3.O=C(O)CNC(=O)c1ccccc1,Hiprex_Urex_Hexamine hippurate_Methenamine hippurate_,,,,,,,,
CHEMBL1201108,,2,6.51,5,5.41,5.44,13.53,6.23,535.05,3,6,2,2,38,NEUTRAL,498.59,498.2056,1,1,78.09,0.3,N,4,FALSE,TRUE,FALSE,0,FALSE,0,Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2.Cl,Conivaptan hcl_Vaprisol_YM-087_CI-1025_Conivaptan hydrochloride_YM087_,,,,,,,,
CHEMBL1201109,S01BA11_D07AB08_,1,2.33,0,1.9,1.9,13.75,None,416.51,6,6,2,2,30,NEUTRAL,416.51,416.2199,0,0,93.06,0.72,N,2,FALSE,FALSE,TRUE,1,FALSE,0,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,NSC-759226_Desonide_D-2083_Tridesilon_Desowen_D2083_Desonate_Verdeso_,,,,,,,,
CHEMBL1201110,,1,-0.8,2,-0.4,-0.06,11.99,7.48,360.8,9,10,3,5,23,NEUTRAL,324.34,324.1546,0,0,151.14,0.44,N,7,TRUE,FALSE,FALSE,1,FALSE,0,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21.Cl,256U87 HYDROCHLORIDE_Valaciclovir hydrochloride_256-U-87 HYDROCHLORIDE_NSC-759101_Valaciclovir (as hydrochloride)_Valacyclovir hcl_BW-256_Valacyclovir hydrochloride_Valtrex_BW-256U87_,,,,,,,,
CHEMBL1201112,L01BB07_,1,-1.97,2,-1.57,-1.57,12.45,4.47,297.27,10,10,4,5,21,NEUTRAL,297.27,297.1073,0,0,148.77,0.51,N,3,FALSE,TRUE,FALSE,1,FALSE,1,COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,Nelarabine_NSC-686673_Atriance_Nelzarabine_NSC-759876_506U_MAY_GW-506U78_Arranon_506U78_Attriance_NSC-755985_,,,,,,,,
CHEMBL1201115,,0,1.53,1,-0.4,1.82,None,9.67,331.84,5,5,2,2,21,BASE,295.38,295.1784,0,0,67.79,0.68,N,9,FALSE,TRUE,FALSE,0,TRUE,0,COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl,Esmolol hcl_ASL-8052_Brevibloc_Esmolol hydrochloride_,,,,,,,,
CHEMBL1201116,J01CA18_,1,1.41,1,-1.99,0.06,3.33,4.79,389.48,5,7,2,2,27,ACID,389.48,389.1409,0,0,89.95,0.76,N,3,TRUE,FALSE,FALSE,1,FALSE,0,CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O,Hetacillin_Hetacin_BL-P 804_Versapen_BL-P-804_Natacillin_Hetacillin acid_BLP-804_BRL-804_,,,,,,,,
CHEMBL1201117,M03BA53_M03BA03_M03BA73_,0,0.53,1,0.45,0.45,13.6,None,241.24,5,6,2,3,17,NEUTRAL,241.24,241.095,0,0,91.01,0.76,N,6,TRUE,TRUE,FALSE,0,FALSE,0,COc1ccccc1OCC(O)COC(N)=O,Robaxin_NSC-170960_Robaxin-750_Forbaxin_Miolaxin_Neuraxin_Methocarbamol_Delaxin_,,,,,,,,
CHEMBL1201118,,1,-0.73,1,-4.1,-0.65,3.18,None,493.53,12,12,2,2,30,ACID,471.55,471.0453,1,1,163.33,0.2,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+],U-72791A_Zefazone_Cefmetazole sodium salt_Cefmetazole sodium_NSC-758171_,,,,,,,,
CHEMBL1201119,H03AA02_,1,3.95,2,2.76,2.8,0.3,9.48,672.96,4,5,3,4,23,ZWITTERION,650.98,650.7901,1,1,92.78,0.43,N,5,TRUE,TRUE,FALSE,0,FALSE,1,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+],L-triiodothyronine hydrochloride_Rathyronine hydrochloride, (s)-_Triiodothyronine,evans_Cytobin_Liotrix (t3)_NSC-758175_Basoprocin_Triiodothyronine sodium, levo_Liothyronine hydrochloride_T3 (liotrix)_Cynomel_NSC-80774_Liothyronine sodium_Liothyronine sodium salt_Triiodothyronine_Lyothyronin_Ibiothyron_Cytomel_T3 sodium salt_Triiodothyronine sodium salt_Rathyronine sodium, (s)-_L-triiodothyronine sodium salt_Triostat_Tertroxin_Thybon_,,,,
CHEMBL1201120,,2,2,1,1.16,1.52,None,7.51,412.91,6,7,0,0,27,NEUTRAL,376.45,376.1998,0,0,76.15,0.68,N,7,FALSE,TRUE,FALSE,0,FALSE,1,CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1.Cl,GI-87084B_GI 87084B_Ultiva_Remifentanil hcl_Remifentanil hydrochloride_,,,,,,,,
CHEMBL1201121,,1,1.41,1,-1.99,0.06,3.33,4.79,427.57,5,7,2,2,27,ACID,389.48,389.1409,0,0,89.95,0.76,N,3,TRUE,FALSE,FALSE,1,FALSE,0,CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-].[K+],Hetacin-k_Hetacillin potassium salt_Hetacillin potassium_Versatrex_Natacillin_Potassium hetacillin_Versapen-k_NSC-757046_,,,,,,,,
CHEMBL1201124,,0,2.29,2,-0.96,2.28,3.84,None,376.41,3,4,1,1,19,ACID,255.27,255.0895,0,0,59.3,0.86,Y,3,TRUE,TRUE,TRUE,0,FALSE,1,NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,Acuvail_Acular preservative free_Sprix_Toradol_NSC-758637_Acular ls_Acular_Lixidol_Tarasyn_Dolac_Ketorolac tromethamine_Ketorolac trometamol_,,,,,,,,
CHEMBL1201127,,1,2.38,2,2.82,2.82,13.59,2.39,593.74,8,10,3,4,38,NEUTRAL,547.67,547.2352,1,1,140.42,0.36,N,11,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1.CCO,Darunavir ethanolate_Prezista_Darunavir (as ethanolate)_Rezolsta_Darunavir Ethanolate_Tmc114 ethanolate_Darunavir monoethanolate_,,,,,,,,
CHEMBL1201129,L01BC08_,1,-2.14,1,-2.16,-2.16,13.89,None,228.21,8,8,3,4,16,NEUTRAL,228.21,228.0859,0,0,123.49,0.53,N,2,TRUE,FALSE,FALSE,1,FALSE,0,Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,NSC-127716_Decitabine_DAC_Dacogen_2'-deoxy-5-azacytidine_,,,,,,,,
CHEMBL1201130,A09AB02_,2,-0.22,0,-3.72,-4.49,2.26,None,153.61,1,3,1,1,8,ACID,118.16,118.0863,0,0,37.3,0.51,Y,2,FALSE,FALSE,FALSE,0,FALSE,0,C[N+](C)(C)CC(=O)O.[Cl-],Betaine HCl_Acidol pepsin_Betainum muriaticum_Cystadane_NSC-32191_NSC-3976_Betaine hydrochloride_Lycine hydrochloride_Betaine hcl_,,,,,,,,
CHEMBL1201131,,2,3.72,1,4.1,4.1,None,None,338.44,5,5,0,0,24,NEUTRAL,338.44,338.2093,0,0,46.15,0.51,N,13,FALSE,FALSE,TRUE,0,FALSE,0,CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2,NSC-8401_Piperonyl butoxide technical_Piperonyl butoxide_,,,,,,,,
CHEMBL1201132,,1,1.71,1,-0.73,1.19,10.39,9.62,393.91,5,5,3,3,26,BASE,357.45,357.194,0,0,73.16,0.75,N,2,FALSE,TRUE,FALSE,0,FALSE,1,Cl.Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,Nubain_Nalbuphine hydrochloride_Nalbuphine hcl_EN-2234A_NSC-757829_Nalbuphine_Nalbufine hydrochloride_,,,,,,,,
CHEMBL1201134,A06AX03_,1,4.31,0,1.6,4.56,4.3,None,390.47,4,5,2,2,27,ACID,390.47,390.2218,0,0,83.83,0.51,N,11,TRUE,FALSE,FALSE,0,FALSE,0,CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1,Lubiprostone_RU-0211_Amitiza_,,,,,,,,
CHEMBL1201139,L02AB01_G03DB02_G03AC05_,1,4.58,0,3.72,3.72,None,None,384.52,4,4,0,0,28,NEUTRAL,384.52,384.2301,0,0,60.44,0.65,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,Megesterol acetate_Ovaban_5071_Megace es_Megace_Megestrol acetate_NSC-71423_Megestrol_BDH-1298_BDH 1298_Chronopil_SC-10363_SC 10363_Megestrol 17.alpha.-acetate_,,,,,,,,
CHEMBL1201141,,0,3.07,1,1.34,3.84,4.85,None,352.48,1,2,1,1,15,ACID,206.28,206.1307,0,0,37.3,0.82,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O,Ibuprofen lysinate_Arfen_Imbun_Dolormin_Feminax express_Nurofen advance_Soluphene_Solufenum_Nurofen migraine pain_Neoprofen_Nurofen max strgth mig pain_Nurofen tension headache_Ibuprofen l-lysine_Saren_Ibuprofen lysine_Lisiprofen_,,,,,,,,
CHEMBL1201142,,1,1.9,1,1.27,2.3,None,8.4,267.35,1,1,1,1,13,NEUTRAL,171.24,171.1048,0,0,12.03,0.67,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O,Rasagiline (as mesilate)_Rasagline ratiopharm_Rasagiline mesilate_TVP-1012_Rasagiline mesylate_Azilect_Agilect_,,,,,,,,
CHEMBL1201146,,1,4.06,0,3.66,3.66,None,None,340.46,3,3,0,0,25,NEUTRAL,340.46,340.2038,0,0,43.37,0.53,N,1,TRUE,TRUE,TRUE,1,FALSE,0,C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,Norethindrone acetate_Norethisteron acetate_SH-420_Norlutin acetate_Norethisteroni acetas_Norethisterone 17-acetate_Norethynyltestosterone_Aygestin_NSC-22844_Norlutate_Norethisterone acetate_Norethidrone Acetate_,,,,,,,,
CHEMBL1201148,H02AB15_,1,2.01,0,2.02,2.02,12.44,None,372.46,5,5,2,2,27,NEUTRAL,372.46,372.1937,0,0,91.67,0.77,N,2,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,Betapar_SCH 4358_SCH-4358_Meprednisone_NSC-527579_,,,,,,,,
CHEMBL1201149,,1,1.53,1,0.13,1.36,10.11,8.88,377.87,5,5,2,2,25,BASE,341.41,341.1627,0,0,70,0.85,N,2,TRUE,FALSE,FALSE,0,FALSE,1,Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,Depade_Naltrexone hcl_EN-1639A_Revia_Opizone_Naltrexone hydrochloride_Nalorex_Adepend_Trexan_EN-1639A (AS HYDROCHLORIDE)_,,,,,,,,
CHEMBL1201150,,2,1.32,2,-1.24,0.74,11.24,9.54,413.5,3,5,2,2,20,BASE,295.41,295.1354,0,0,65.2,0.84,N,6,TRUE,TRUE,TRUE,0,FALSE,0,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)CCC(=O)O,Sumavel dosepro_Imitrex_Zecuity_Imigran radis_NSC-760362_Sumatriptan succinate_GR 43175C_Sumatriptan galpharm_Imigran subject_Imigran recovery_Sumatriptan (as succinate)_Migraleve ultra_GR-43175C_Treximet_Imitrex statdose_Onzetra xsail_Alsuma_Zembrace symtouch_Migraitan_Imigran_Imigran 50_,,,,,,,,
CHEMBL1201151,,1,3.92,1,4.04,4.04,None,None,310.44,2,2,1,1,23,NEUTRAL,310.44,310.1933,0,0,29.46,0.8,N,1,TRUE,FALSE,FALSE,1,FALSE,0,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C,NSC-84032_Mestranol_33355_EEI3ME_EE3-ME_EE3 ME_EE3ME_EE-3ME_,,,,,,,,
CHEMBL1201152,,1,2.51,1,0.07,1.95,10.35,9.57,375.9,4,4,2,2,25,BASE,339.44,339.1834,0,0,52.93,0.81,N,2,FALSE,TRUE,FALSE,0,FALSE,0,C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl,JF-1 HYDROCHLORIDE_Nalmefene hydrochloride_Nalmefene hcl_Revex_,,,,,,,,
CHEMBL1201153,,0,1.91,1,-0.22,1.05,10.01,9.01,335.42,4,4,4,4,17,BASE,239.31,239.1521,0,0,72.72,0.59,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O,Bronkometer_NSC-759286_Isoetharine mesylate_Bronchilator_Isoetharine mesilate_Isoetarine mesilate_,,,,,,,,
CHEMBL1201154,,2,4.58,2,3.69,4.38,None,7.99,564.15,4,3,0,0,25,NEUTRAL,373.95,373.1379,0,0,9.72,0.78,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O,Compazine_NSC-757299_Prochlorperazine edisilate_Prochlorperazine edisylate_Prochlorperazine ethanedisulfonate_Prochlorperazine edisylate salt_,,,,,,,,
CHEMBL1201155,,2,3.77,2,3.26,3.46,None,7.18,445.9,4,4,0,0,23,NEUTRAL,327.81,327.1138,0,0,28.07,0.74,N,0,TRUE,FALSE,FALSE,0,FALSE,1,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O,NSC-759578_CL-71563_Loxapine_Loxapac_Loxapine succinate_Loxitane_CL 71563_,,,,,,,,
CHEMBL1201156,,2,3.83,2,1.58,4.43,None,10.47,299.85,1,1,1,1,20,BASE,263.38,263.1674,0,0,12.03,0.83,N,3,TRUE,FALSE,FALSE,0,FALSE,1,CNCCC=C1c2ccccc2CCc2ccccc21.Cl,Aventyl_Nortriptyline hydrochloride_Pamelor_Aventyl hydrochloride_Nortriptyline hcl_38489_Psychostyl_NSC-169453_,,,,,,,,
CHEMBL1201159,,2,4.14,2,2.43,3.82,None,8.77,372.94,2,3,0,0,25,BASE,336.48,336.2202,0,0,23.55,0.79,N,6,FALSE,FALSE,TRUE,0,FALSE,1,CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl,Fentanyl hcl_Fentanyl hydrochloride_Ionsys_,,,,,,,,
CHEMBL1201161,,2,-0.21,1,-1.96,-0.52,10.25,9.04,246.29,3,4,2,4,12,BASE,186.24,186.0463,0,0,86.18,0.67,N,2,FALSE,FALSE,TRUE,0,FALSE,0,CC(=O)O.NCc1ccc(S(N)(=O)=O)cc1,Mafenide acetate_Sulfamylon_,,,,,,,,
CHEMBL1201162,,1,0.61,1,-0.07,-0.12,8.16,6.88,360.91,6,6,2,3,19,NEUTRAL,324.45,324.0272,0,0,106.33,0.85,N,3,FALSE,FALSE,TRUE,0,FALSE,0,CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl,Dorzolamide (as hydrochloride)_Dorzolamide hcl_Trusopt_MK-507_Cosopt Pf_Dorzolamide hydrochloride_,,,,,,,,
CHEMBL1201163,,2,4.21,2,2.13,3.61,None,8.86,578.68,4,4,0,0,27,BASE,386.56,386.2028,0,0,32.78,0.68,N,8,FALSE,TRUE,FALSE,0,FALSE,1,CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,Sufental_Sufentanil citrate cii_Dsuvia_Sufenta preservative free_Sufentanil citrate_R 33800_R-33800_Sufenta_,,,,,,,,
CHEMBL1201165,,1,5.23,1,5.4,5.4,None,None,364.53,2,2,1,1,27,NEUTRAL,364.53,364.2402,1,1,29.46,0.73,N,2,TRUE,FALSE,FALSE,0,FALSE,0,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C,NSC-759637_Quinestrol_W 3566_Estrovis_W-3566_,,,,,,,,
CHEMBL1201167,,0,3.74,4,2.07,3.42,None,8.74,504.48,5,6,3,3,30,BASE,406.48,406.1893,0,0,75.74,0.35,N,10,TRUE,FALSE,FALSE,0,FALSE,0,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O=P(O)(O)O,Coreg cr_Carvedilol phosphate hemihydrate_Carvedilol phosphate_SKF-105517D_SKF 105517D_Carvedilol phosphate hydrate_SK&F-105517-D_,,,,,,,,
CHEMBL1201168,N06AF01_,2,1.42,2,1.43,1.43,10.42,2.83,231.25,4,5,2,2,17,NEUTRAL,231.25,231.1008,0,0,67.16,0.78,N,4,TRUE,FALSE,FALSE,0,FALSE,1,Cc1cc(C(=O)NNCc2ccccc2)no1,RO 5-0831_Marplan_Isocarboxazid_RO-5-0831_Enerzer_NSC-169893_,,,,,,,,
CHEMBL1201170,,-1,None,None,None,None,None,None,209.92,None,None,None,None,None,NA,209.92,210.0515,None,None,None,None,None,None,TRUE,FALSE,FALSE,0,FALSE,1,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+],Lithium citrate_,,,,,,,,
CHEMBL1201171,,2,2.97,1,2.68,2.84,None,7.06,329.87,4,4,0,0,21,NEUTRAL,293.41,293.1991,0,0,30.93,0.66,N,9,FALSE,FALSE,TRUE,0,FALSE,0,CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl,Pramoxine hydrochloride_Pramoxine hcl_Tronolane_NSC-25573_Tronothane_Pramocaine hydrochloride_,,,,,,,,
CHEMBL1201173,S01BA08_,1,3.94,0,3.13,3.13,None,None,344.5,3,3,1,1,25,NEUTRAL,344.5,344.2351,0,0,54.37,0.78,N,1,FALSE,FALSE,TRUE,0,FALSE,0,CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,NSC-63278_U-8471_Medrysone_Hydroxymesterone_,,,,,,,,
CHEMBL1201174,,1,2.02,2,-0.14,1.26,None,8.78,523.33,5,6,1,2,28,BASE,407.32,407.1181,0,0,77.04,0.62,N,4,TRUE,FALSE,FALSE,0,FALSE,0,N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O,Sitagliptin phosphate_Sitagliptin phosphate hydrate_Sitagliptin monophosphate monohydrate_Sitagliptin phosphate monohydrate_MK0431_ONO-5435_Glactiv_Januvia_MK-0431_Sitagliptin monophosphate anhydrous_Sitagliptin monophosphate_Janumet Xr_Sitagliptin phosphate anhydrous_,,,,,,,,
CHEMBL1201177,,1,2.33,1,-0.04,2.18,None,9.66,327.85,4,4,2,2,21,BASE,291.39,291.1834,0,0,58.56,0.87,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O.Cl,Levobunolol hcl_Akbeta_W-7000A_Levobunolol hydrochloride_NSC-759158_Betagan_W 7000A_,,,,,,,,
CHEMBL1201178,,1,1.19,1,-2.54,1.14,None,10.21,455.6,3,4,3,5,19,BASE,263.38,263.1998,0,0,81.14,0.62,N,8,TRUE,FALSE,FALSE,1,FALSE,1,CS(=O)(=O)O.CS(=O)(=O)O.C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN,NRP104_Lisdexamfetamine dimesilate_Elvanse adult_Lisdexamphetamine dimesilate_SPD489_SPD-489_NRP-104_Lisdexamfetamine dimethanesulfonate_Vyvanse_Lisdexamfetamine mesilate_Tyvense_Elvanse_Lisdexamfetamine dimesylate_,,,,,,,,
CHEMBL1201179,,2,6.14,5,4.4,4.64,None,7.26,943.49,8,8,2,2,40,NEUTRAL,581.07,580.1347,2,2,106.35,0.18,N,11,TRUE,FALSE,FALSE,0,FALSE,1,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O,Lapatinib tosilate hydrate_GW572016F_Tycerb_Lapatinib ditosylate monohydrate_Lapatinib tosilate_Lapatinib ditosylate_Lapatinib ditoluenesulfonate monohydrate_Lapatinib_Tykerb_GW-572016F_,,,,,,,,
CHEMBL1201180,,2,4.36,2,1.1,4.26,4,None,411.33,2,3,2,2,19,ACID,296.15,295.0167,0,0,49.33,0.88,N,4,FALSE,FALSE,TRUE,0,FALSE,1,O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.OCCN1CCCC1,Licart_Flector Patch_Diclofenac epolaminum_Flector_Diclofenac epolamine_,,,,,,,,
CHEMBL1201182,L01EG01_,1,None,None,None,None,None,None,1030.3,None,None,None,None,None,NA,1030.3,1029.6025,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,Torisel_CCI-779_Temsirolimus_,,,,,,,,
CHEMBL1201184,,1,None,None,None,None,None,None,1156.4,None,None,None,None,None,NA,1096.35,1095.467,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)O.CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O,Lanreotide acetate_Somatuline depot_Somatuline lp_BIM-23014C_Somatuline_,,,,,,,,
CHEMBL1201185,H01CB03_,1,None,None,None,None,None,None,1096.35,None,None,None,None,None,NA,1096.35,1095.467,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O,Somatuline autogel_Lanreotide_Angiopeptin_Somatuline la_,,,,,,,,
CHEMBL1201187,J05AX09_,1,5.95,2,1.68,3.63,13.98,9.35,513.68,5,6,1,1,37,BASE,513.68,513.3279,2,2,63.05,0.47,N,8,TRUE,FALSE,FALSE,0,FALSE,1,Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,Celsentri_Maraviroc_UK-427857_Selzentry_Rel-Maraviroc_,,,,,,,,
CHEMBL1201190,,1,3.15,2,0.65,0.87,3.59,7.42,461.82,4,5,1,1,27,ACID,388.9,388.1554,0,0,53.01,0.7,N,8,TRUE,FALSE,FALSE,0,FALSE,0,Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,NSC-758898_Cetirizine (r)-form dihydrochloride_UCB 28556_Xyzal allergy 24hr_UCB-28556_Xyzall_Xusal_Levocetirizine hydrochloride_Levocetirizine dihydrochloride_Xyzal_,,,,,,,,
CHEMBL1201191,R06AE09_,1,3.15,2,0.65,0.87,3.59,7.42,388.9,4,5,1,1,27,ACID,388.9,388.1554,0,0,53.01,0.7,N,8,TRUE,FALSE,FALSE,0,FALSE,0,O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,(r)-cetirizine_Cetirizine (r)-form_Cetirizine, (-)-_Levocetirizine_Cetirizine, (r)-_(-)-cetirizine_Xazal_Xyzal_,,,,,,
CHEMBL1201192,N06BA13_,1,2.01,2,1.52,1.53,8.84,None,273.36,2,3,1,2,19,NEUTRAL,273.36,273.0823,0,0,60.16,0.91,N,5,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1,CRL-40982_Armodafinil_NSC-751850_R-(-)-modafinil_Nuvigil_NSC-758711_CEP-10952_Modafinil, (r)-_CEP-10953_,,,,,,,
CHEMBL1201193,N01BB10_,1,3.9,1,3.82,4.52,13.62,8,288.44,2,3,1,1,21,NEUTRAL,288.44,288.2202,0,0,32.34,0.89,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,Bupivacaine (-)-form_Bupivacaine, (s)-_(s)-bupivacaine_Novabupi_Bupivacaine, (-)-_L-bupivacaine_Levobupivacaine_(-)-bupivacaine_,,,,,,
CHEMBL1201195,J01DC09_,1,-0.73,1,-4.1,-0.65,3.18,None,471.55,12,12,2,2,30,ACID,471.55,471.0453,1,1,163.33,0.2,N,9,FALSE,TRUE,FALSE,0,FALSE,0,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,Cefmetazole_U-72791_,,,,,,,,
CHEMBL1201196,D01AC14_G01AF19_,0,7.02,4,6.19,6.23,None,6.48,437.78,4,3,0,0,27,NEUTRAL,437.78,435.9971,1,1,27.05,0.32,N,6,FALSE,FALSE,TRUE,0,FALSE,0,Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1,Ertaczo_Demofix_FI-7045_Sertaconazole_,,,,,,,,
CHEMBL1201197,,1,0.9,3,-0.92,-0.88,5.52,8.09,558.52,8,11,4,5,40,ACID,558.52,558.1839,2,1,159.65,0.33,N,7,FALSE,TRUE,FALSE,1,TRUE,0,C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21,Alatrofloxacin_,,,,,,,,
CHEMBL1201198,,2,0.18,3,-1.38,0.24,2.6,0.39,228.22,6,7,1,1,17,ACID,228.22,228.076,0,0,88.83,0.64,N,1,FALSE,FALSE,TRUE,0,FALSE,0,Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12,Permirolast_Pemirolast_Pemirox_,,,,,,,,
CHEMBL1201199,L02AE02_,1,None,None,None,None,None,None,1209.42,None,None,None,None,None,NA,1209.42,1208.6455,None,None,None,None,None,None,TRUE,TRUE,FALSE,0,FALSE,0,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1,(-)-leuprolide_Leuprolide_Leuprorelin_CKD-841_Leuprorelin slow release_NSC-377526_ABBOTT-43818 FREE BASE_Leuporelin_TAP-144 FREE BASE_,,,,,,,,
CHEMBL1201201,N06BA03_,1,1.84,1,-0.44,2.24,None,10.21,149.24,1,1,1,1,11,BASE,149.24,149.1204,0,0,12.03,0.69,Y,3,TRUE,FALSE,FALSE,0,TRUE,1,CN[C@@H](C)Cc1ccccc1,J6.362B_Metamfetamine_(s)-phenylmethylaminopropane_Methamphetamine_NSC-25115_,,,,,,,,
CHEMBL1201202,B01AX05_,1,None,None,None,None,None,None,1508.27,None,None,None,None,None,NA,1508.27,1506.9513,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,1,CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)O)[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](O)[C@H]1NS(=O)(=O)O,Fondaparinux_,,,,,,,,
CHEMBL1201203,N04AC01_,1,4.42,2,2.06,4.19,None,9.54,307.44,2,2,0,0,23,BASE,307.44,307.1936,0,0,12.47,0.83,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,Cobrentin_Benztropine_Benzatropine_NK-02_,,,,,,,,
CHEMBL1201204,J01DD11_,1,0.33,3,-2.91,0.15,3.19,3.85,612.65,13,15,5,5,42,ACID,612.65,612.1209,2,2,212.76,0.16,N,9,FALSE,TRUE,FALSE,0,FALSE,0,Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1,WY-44,635_NSC-759869_Cefpiramide_WY-44635_,,,,,,,
CHEMBL1201206,,1,3.63,0,-5.28,-5.28,None,5.31,602.91,6,8,0,0,43,NEUTRAL,602.91,602.476,1,1,59.08,0.36,N,4,FALSE,TRUE,FALSE,0,FALSE,0,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1,Pipecuronium_,,,,,,,,
CHEMBL1201207,,1,2.01,0,-2.01,1.56,1.18,None,472.45,6,8,4,4,32,ACID,472.45,472.1662,0,0,141.36,0.46,N,4,FALSE,TRUE,FALSE,1,FALSE,0,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,Betamethasone phosphoric acid_Betamethasone phosphate_,,,,,,,,
CHEMBL1201208,,0,1.74,1,0.91,1.79,None,8.22,177.25,2,2,1,1,13,NEUTRAL,177.25,177.1154,0,0,21.26,0.71,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,CC1NCCOC1c1ccccc1,Preludin_Phenmetrazine_Trans-phenmetrazine_,,,,,,,,
CHEMBL1201210,N05CM06_,0,4.83,2,3.58,4.55,None,8.32,340.49,4,3,0,0,24,NEUTRAL,340.49,340.1609,0,0,23.55,0.73,N,5,FALSE,TRUE,FALSE,0,FALSE,0,CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2,WY-1359_Propavan_Dorevane_Largon_CB-1678_Dorevan_Indorm_CB 1678_Propiomazine_,,,,,,,,
CHEMBL1201212,C01CA17_,0,-0.19,1,-1.76,-0.95,13.77,8.14,254.29,5,6,3,4,18,NEUTRAL,254.29,254.1267,0,0,93.81,0.65,N,6,TRUE,FALSE,FALSE,1,FALSE,1,COc1ccc(OC)c(C(O)CNC(=O)CN)c1,Midodrine_ST 1085_ST-1085_,,,,,,,,
CHEMBL1201213,R03AC07_R03CC06_,0,1.91,1,-0.22,1.05,10.01,9.01,239.31,4,4,4,4,17,BASE,239.31,239.1521,0,0,72.72,0.59,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,Isoetarine_Neoisuprel_WIN3406_WIN-3046_Etyprenaline_Dilabron_WIN 3406_Isoetharine_WIN-3406_,,,,,,,,
CHEMBL1201216,S01EX02_,2,2.29,2,1.98,2.42,None,7.64,325.46,5,5,0,0,24,NEUTRAL,325.46,325.2266,0,0,37.19,0.86,N,4,FALSE,FALSE,TRUE,0,FALSE,0,Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,Dapiprazole_,,,,,,,,
CHEMBL1201217,R02AD04_N01BX02_,2,3.92,1,2.67,3.68,None,8.36,289.42,3,3,0,0,21,NEUTRAL,289.42,289.2042,0,0,29.54,0.54,N,8,FALSE,FALSE,TRUE,0,FALSE,0,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1,Dyclonine_,,,,,,,,
CHEMBL1201218,,1,-0.04,2,-3.04,0.42,3.1,None,490.52,11,12,2,2,33,ACID,490.52,490.0729,1,1,156.61,0.28,N,9,FALSE,TRUE,FALSE,1,FALSE,0,Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1,Mandol_106223_Cefamandole nafate_,,,,,,,,
CHEMBL1201219,M03AC03_,1,5.97,0,-1.34,0.89,None,9.65,557.84,5,6,0,0,40,BASE,557.84,557.4313,2,2,55.84,0.32,N,4,FALSE,TRUE,FALSE,0,FALSE,1,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1,Vecuronium cation_Vecuronium ion_Vecuronium_,,,,,,,,
CHEMBL1201222,N06BA12_,1,1.19,1,-2.54,1.14,None,10.21,263.38,3,4,3,5,19,BASE,263.38,263.1998,0,0,81.14,0.62,N,8,TRUE,FALSE,FALSE,1,FALSE,1,C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN,Lisdexamfetamine_Lisdexamphetamine_L-lysine-dextroamphetamine_,,,,,,,,
CHEMBL1201224,J01DD05_,1,-0.87,2,-3.58,-0.93,2.73,3.42,511.57,14,14,3,4,33,ACID,511.57,511.0515,2,2,190.81,0.17,N,8,FALSE,TRUE,FALSE,0,FALSE,0,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1,Cefmenoxime_SCE-1365_,,,,,,,,
CHEMBL1201225,D08AG03_,2,1.77,0,1.36,1.36,None,None,253.81,0,0,0,0,2,NA,253.81,253.8089,0,0,0,0.58,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,II,NSC-42355_Iodium_Iodum_Iodine mild_Iodine strong_Jodosan_Tegodyne_Iodine_,,,,,,,,
CHEMBL1201227,,0,3.94,1,1.87,3.79,13.84,9.32,287.45,2,2,1,1,21,BASE,287.45,287.2249,0,0,23.47,0.89,N,5,TRUE,FALSE,FALSE,0,FALSE,0,OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1,Cycrimine_,,,,,,,,
CHEMBL1201229,S01EB04_,2,6.76,2,-1.42,-1.42,None,None,556.79,4,8,0,0,40,NA,556.79,556.3978,2,2,59.08,0.18,N,15,FALSE,FALSE,TRUE,0,FALSE,0,CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1,Demecarium ion_Demecarium_Demecarium cation_,,,,,,,,
CHEMBL1201231,,1,1.67,0,-2.42,1.15,1.18,None,440.43,6,8,4,4,30,ACID,440.43,440.16,0,0,141.36,0.48,N,4,TRUE,TRUE,TRUE,0,FALSE,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,Prednisolone phosphoric acid_Prednisolone phosphate_,,,,,,,,
CHEMBL1201232,A03AB09_,2,4.11,2,0.14,0.14,None,None,353.53,1,3,1,2,26,NEUTRAL,353.53,353.2587,0,0,43.09,0.71,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C,Isopropamide_Isopropamide ion_Isopropamide cation_,,,,,,,,
CHEMBL1201233,,1,0.92,1,1.18,1.41,9.29,7.22,239.27,5,5,3,4,17,NEUTRAL,239.27,239.1158,0,0,92.78,0.54,N,4,FALSE,TRUE,FALSE,1,FALSE,0,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1,Methyldopate_,,,,,,,,
CHEMBL1201234,C01CA11_,2,2.23,1,-0.22,2.52,None,10.3,163.26,1,1,1,1,12,BASE,163.26,163.1361,0,0,12.03,0.72,Y,3,FALSE,TRUE,FALSE,0,FALSE,0,CNC(C)(C)Cc1ccccc1,Mephentermine_,,,,,,,,
CHEMBL1201235,,0,2.03,1,-2.57,-2.57,11.99,None,290.38,3,4,1,1,21,NEUTRAL,290.38,290.1751,0,0,46.53,0.68,Y,3,TRUE,FALSE,FALSE,0,FALSE,0,C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,Methylhomatropine cation_Methylhomatropine ion_,,,,,,,,
CHEMBL1201236,,1,-0.05,1,-2.53,-1.21,2.35,5.66,226.23,5,6,5,6,16,ACID,226.23,226.0954,1,0,115.81,0.28,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O,Carbidopa_Lodosyn_,,,,,,,,
CHEMBL1201237,S01ED03_,1,2.33,1,-0.04,2.18,None,9.66,291.39,4,4,2,2,21,BASE,291.39,291.1834,0,0,58.56,0.87,N,5,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O,Bunolol, (s)-_Levobunolol_Bunolol, (-)-_,,,,,,
CHEMBL1201242,,2,3.22,2,0.46,3.26,None,10.4,308.43,2,3,2,3,23,BASE,308.43,308.1889,0,0,55.12,0.81,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21,Indecainide_,,,,,,,,
CHEMBL1201244,,1,4.41,0,-1,-0.33,None,7.96,529.79,5,6,1,1,38,NEUTRAL,529.79,529.4,1,1,59,0.32,N,5,FALSE,TRUE,FALSE,0,FALSE,0,C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1,Rocuronium ion_Rocuronium cation_Rocuronium_,,,,,,,,
CHEMBL1201245,R06AA01_,0,4.12,2,2.94,4.42,None,8.87,334.26,2,2,0,0,20,BASE,334.26,333.0728,0,0,12.47,0.79,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1,Bromodiphenhydramine_4-bromodiphen hydramine_Neo-benadryl_Bromazine_Histabromamine_Deserol_,,,,,,,,
CHEMBL1201247,L02AE03_,1,None,None,None,None,None,None,1269.43,None,None,None,None,None,NA,1269.43,1268.6414,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O,ICI-118630_Zoladex_Goserelin_Goserelin acetate_ICI 118,630_,,,,,,,
CHEMBL1201248,M03AC11_,1,8.07,4,-0.96,-0.96,None,None,929.16,12,14,0,0,67,NEUTRAL,929.16,928.5074,3,3,126.44,0.04,N,24,FALSE,TRUE,FALSE,0,FALSE,0,COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC,Nimbex_Cisatracurium cation_Cisatracurium ion_Cisatracurium_,,,,,,,,
CHEMBL1201250,,0,2.42,1,0.8,1.42,None,7.9,404.51,6,7,0,0,29,NEUTRAL,404.51,404.2311,0,0,68.31,0.68,N,6,FALSE,TRUE,TRUE,0,FALSE,0,CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O,NSC-64375_Quantril_NSC-108159_Benzquinamide_NSC-169193_Emete-con_P-2647_Benzchinamide_Promecon_,,,,,,,,
CHEMBL1201255,L02AE05_,1,None,None,None,None,None,None,1323.53,None,None,None,None,None,NA,1323.53,1322.6673,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,Supprelin_ORF-17070_ORF 17070_Histrelin_RWJ-17070_RWJ 17070_ORF 17070RWJ 17070_,,,,,,,,
CHEMBL1201256,R06AA10_,2,2.58,2,0.77,2.16,None,8.77,388.46,6,7,1,1,28,BASE,388.46,388.1998,0,0,69.26,0.67,N,10,TRUE,TRUE,FALSE,0,FALSE,0,COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC,Ametik damla_Trimethobenzamide_,,,,,,,,
CHEMBL1201260,C02CC01_,2,0.98,1,-1.15,1.27,None,12.41,177.25,1,3,2,2,13,BASE,177.25,177.1266,0,0,36.42,0.52,Y,2,TRUE,FALSE,FALSE,0,FALSE,0,C/N=C(\NC)NCc1ccccc1,Bethanidine_Betanidine_,,,,,,,,
CHEMBL1201262,S01EA02_,0,2.84,1,1.8,3.71,None,9.33,351.44,6,6,2,2,25,BASE,351.44,351.2046,0,0,84.86,0.63,N,5,FALSE,FALSE,TRUE,1,FALSE,0,CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1,Dipivefrine_Dipivalyl epinephrine_DPE_Dipivefrin_,,,,,,,,
CHEMBL1201263,,1,2.67,0,2.28,2.32,12.61,6.43,475.63,7,7,2,2,34,NEUTRAL,475.63,475.2934,0,0,104.14,0.55,N,7,FALSE,FALSE,TRUE,1,FALSE,0,CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,Hydrocortamate_,,,,,,,,
CHEMBL1201264,A03AB07_,2,3.95,2,-0.47,-0.47,None,None,340.44,3,4,0,0,25,NEUTRAL,340.44,340.1907,0,0,35.53,0.59,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21,Methanthelinium_Methantheline_Methantheline ion_Methantheline cation_,,,,,,,,
CHEMBL1201265,,1,2.22,0,-1.5,1.83,3.66,None,474.55,7,8,3,3,34,ACID,474.55,474.2254,0,0,138.2,0.5,N,6,FALSE,TRUE,FALSE,1,FALSE,0,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,Methylprednisolone hemisuccinate_Methylprednisolone succinate_,,,,,,,,
CHEMBL1201266,S01GX05_,2,0.26,1,-6.23,0.83,0.56,None,311.64,5,9,4,4,21,ACID,311.64,310.9945,0,0,156.59,0.57,N,2,FALSE,FALSE,TRUE,0,FALSE,0,N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1,Lodoxamide_,,,,,,,,
CHEMBL1201269,,2,2.62,1,0.07,2.69,None,10.24,183.68,1,1,1,2,12,BASE,183.68,183.0815,0,0,26.02,0.75,Y,2,TRUE,FALSE,FALSE,0,TRUE,0,CC(C)(N)Cc1ccc(Cl)cc1,Chlorphentermine_,,,,,,,,
CHEMBL1201270,J01XX05_,2,-1.02,0,0.38,0.39,None,5.88,140.19,4,4,0,0,10,NEUTRAL,140.19,140.1062,0,0,12.96,0.43,N,0,TRUE,FALSE,FALSE,1,FALSE,0,C1N2CN3CN1CN(C2)C3,Aminoform_Hexamethylene tetramine_Hexamine_Uritone_E-239_Hexamethylenamine_NSC-26346_NSC-403347_E239_INS-239_INS NO.239_Methenamine_Urotropin_Hexamethylenetetramine_,,,,,,,,
CHEMBL1201271,R06AE51_R06AE01_,0,6.54,3,7.01,7.42,None,7.6,433.04,2,2,0,0,31,NEUTRAL,433.04,432.2332,1,1,6.48,0.45,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,Buclizine_,,,,,,,,
CHEMBL1201273,,0,2.08,2,0.24,1.48,9.86,8.98,331.37,6,6,4,4,24,BASE,331.37,331.142,0,0,91.18,0.61,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1,Palisan_Protokylol_Asmeti_Ventaire_Caytine_,,,,,,,,
CHEMBL1201274,,1,2.39,1,0.31,2.54,None,9.67,307.43,4,4,2,2,22,BASE,307.43,307.2147,0,0,50.72,0.62,N,11,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1,Levobetaxolol_Betaxolol, (s)-_,,,,,,,
CHEMBL1201281,,1,1.32,1,-2.19,1.14,3.65,None,423.2,7,10,3,3,27,ACID,423.2,422.0284,0,0,156.07,0.22,N,10,FALSE,TRUE,FALSE,1,FALSE,1,O=C(O)CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1,Chloramphenicol succinate_,,,,,,,,
CHEMBL1201284,H05BX01_,1,6.14,3,3.75,6.27,None,10.01,357.42,1,1,1,1,26,BASE,357.42,357.1704,1,1,12.03,0.52,N,6,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,AMG 073_AMG073_Cinacalcet_KRN1493_AMG-073_Sensipar_KRN-1493_,,,,,,,,
CHEMBL1201286,A03AB53_A03AB03_,0,3.48,1,-0.2,-0.2,11.53,None,348.51,3,4,1,1,25,NEUTRAL,348.51,348.2533,0,0,46.53,0.58,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,Oxyphenonium_Oxyphenonium ion_Oxyphenonium cation_,,,,,,,,
CHEMBL1201287,R06AB56_R06AB06_,1,3.93,2,1.68,3.75,None,9.48,319.25,2,2,0,0,19,BASE,319.25,318.0732,0,0,16.13,0.83,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1,Brompheniramine d-form_Dexbrompheniramine_Brompheniramine, (s)-_,,,,,,,
CHEMBL1201288,M03CA01_,2,1.74,2,1.2,1.26,8.23,None,314.26,6,9,1,1,23,NEUTRAL,314.26,314.0651,0,0,118.05,0.4,N,4,TRUE,TRUE,FALSE,0,FALSE,1,O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1,BAS-3050F_Bebenil_NSC-227402_Dantrolene_Mebenil_BAS-305_O-methylbenzanilide_2-methylbenzoic acid anilide_O-toluanilide_F-368_SHA-458100_NSC-26404_BAS-3050_,,,,,,,,
CHEMBL1201289,,1,6.42,0,7.58,7.96,12.59,7.55,663.41,8,8,3,3,44,NEUTRAL,663.41,662.4095,2,2,108.33,0.07,N,22,TRUE,FALSE,FALSE,1,FALSE,1,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC,Clindamycin palmitate_,,,,,,,,
CHEMBL1201293,N07BB03_,2,-0.6,0,-4.1,-2.75,-0.88,None,181.21,3,5,2,2,11,ACID,181.21,181.0409,0,0,83.47,0.45,N,4,TRUE,FALSE,FALSE,0,FALSE,0,CC(=O)NCCCS(=O)(=O)O,Acamprosate_,,,,,,,,
CHEMBL1201294,A07DA01_,2,5.48,3,4.76,5.88,None,8.5,452.6,4,4,0,0,34,NEUTRAL,452.6,452.2464,1,1,53.33,0.42,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1,IDS-ND-016_Diphenoxylate_,,,,,,,,
CHEMBL1201295,R03AC17_,0,5.16,3,4.15,6.3,14,9.59,461.56,6,6,2,2,34,BASE,461.56,461.2202,1,1,84.86,0.37,N,7,FALSE,FALSE,TRUE,1,FALSE,0,Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1,Bitolterol_,,,,,,,,
CHEMBL1201302,,1,2.01,0,-2.01,1.56,1.18,None,472.45,6,8,4,4,32,ACID,472.45,472.1662,0,0,141.36,0.46,N,4,FALSE,TRUE,TRUE,1,FALSE,0,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,Dexamethasone phosphoric acid_Dexamethasone phosphate_,,,,,,,,
CHEMBL1201303,P02CX01_,2,5.31,4,1.41,1.41,None,1.48,382.53,2,3,0,0,29,NEUTRAL,382.53,382.2278,1,1,12.05,0.44,N,4,TRUE,FALSE,FALSE,0,FALSE,0,Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1,Pyrvinum (base)_Pyrvinium (cation)_Pyrvinium cation_Pyrvinium ion_Pyrvinium hydroxide_Pyrvinium_,,,,,,,,
CHEMBL1201309,H01CA02_,1,None,None,None,None,None,None,1322.5,None,None,None,None,None,NA,1322.5,1321.6356,None,None,None,None,None,None,FALSE,FALSE,TRUE,0,FALSE,0,CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,Lhrh, 6(d-nal(2))_Nafarelin_,,,,,,,
CHEMBL1201313,R05DB10_,0,3.53,2,1.97,3.46,13.18,8.87,289.81,2,2,1,1,20,BASE,289.81,289.1233,0,0,23.47,0.91,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl,NSC-113595_Tussistop_Chlophedianol_Clofedanol_Antitussin_,,,,,,,,
CHEMBL1201314,J05AB14_,0,-1.44,2,-1.55,-1.21,10.16,7.48,354.37,10,11,4,6,25,NEUTRAL,354.37,354.1652,2,0,171.37,0.41,N,8,TRUE,FALSE,FALSE,1,FALSE,1,CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21,Valganciclovir_,,,,,,,,
CHEMBL1201317,N05CM07_,2,1.47,0,-2.65,0.93,1.17,None,229.38,2,4,2,2,10,ACID,229.38,227.8913,0,0,66.76,0.56,N,2,TRUE,FALSE,FALSE,1,FALSE,0,O=P(O)(O)OCC(Cl)(Cl)Cl,Tri-beta-chloroethylphosphate_Triclofos_Neguvon_,,,,,,,,
CHEMBL1201319,C01CA09_,1,0.77,1,-1.3,-0.05,9.03,9.68,167.21,3,3,3,4,12,BASE,167.21,167.0946,0,0,66.48,0.61,N,2,FALSE,TRUE,FALSE,0,FALSE,0,C[C@H](N)[C@H](O)c1cccc(O)c1,Metaraminol_,,,,,,,,
CHEMBL1201320,A02BC05_,1,2.9,3,2.43,2.43,9.68,4.77,345.42,5,6,1,1,24,NEUTRAL,345.42,345.1147,0,0,77.1,0.77,N,5,TRUE,TRUE,FALSE,1,FALSE,0,COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1,Ventra_Esomeprazole_Omeprazole s-form_Inexium paranova_Nexium control_Omeprazole, (s)-_A02BC05_Nexium i.v._Emozul_Nexium_,,,,,,,
CHEMBL1201321,A07DA04_,2,5,3,2.65,2.65,3.38,9.41,424.54,3,4,1,1,32,ZWITTERION,424.54,424.2151,1,1,64.33,0.58,N,7,TRUE,FALSE,FALSE,0,FALSE,0,N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1,Difenoxin_Mcn-jr 15403-11_Diphenoxylic acid_Lyspafen_IDS-ND-007_MCN-JR-15,403-11_R-15403_Diphenoxylate related compound a_R 15,403 [AS HYDROCHLORIDE]_Acscn-9168_,,,,,,
CHEMBL1201323,V04CG02_,2,-0.09,1,-2.38,-0.28,None,9.56,111.15,2,3,2,3,8,BASE,111.15,111.0796,0,0,54.7,0.56,Y,2,FALSE,TRUE,FALSE,0,FALSE,0,NCCc1cc[nH]n1,Betazole_,,,,,,,,
CHEMBL1201325,A03AB10_,0,2.85,1,-0.99,-0.99,13.51,4.95,317.5,2,3,1,1,23,NEUTRAL,317.5,317.2587,0,0,23.47,0.86,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1,Hexocyclium_Hexocyclium ion_Hexocyclium cation_,,,,,,,,
CHEMBL1201328,,2,3.88,2,2.89,3.35,None,7.67,425.6,6,5,1,1,30,NEUTRAL,425.6,425.2137,0,0,47.02,0.65,N,8,TRUE,FALSE,FALSE,0,FALSE,0,CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,Carphenazine_Carfenazine_,,,,,,,,
CHEMBL1201329,C02BA01_,0,3.66,2,2.32,2.32,None,None,365.52,1,3,0,0,26,NEUTRAL,365.52,365.1682,0,0,23.55,0.6,N,4,FALSE,TRUE,FALSE,0,FALSE,0,O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1,Trimethaphan cation_Trimethaphan_Trimethaphan ion_Trimetaphan_,,,,,,,,
CHEMBL1201334,L02AE04_,1,None,None,None,None,None,None,1311.47,None,None,None,None,None,NA,1311.47,1310.6309,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,AY-25650_Decapeptyl sr_Gonapeptyl depot_WY-42462_Tryptorelin_Decapeptyl_CL-118532_CL 118,532_Triptorelin_Triptodur_Arvekap_,,,,,,,
CHEMBL1201335,D11AA01_,0,2.46,1,-1.41,-1.41,11.53,None,318.44,3,4,1,1,23,NEUTRAL,318.44,318.2064,0,0,46.53,0.69,N,4,TRUE,TRUE,TRUE,0,FALSE,0,C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1,Glycopyrronium, erythro-_Glycopyrronium ion_Glycopyrrolate ion_Glycopyrronium cation_Glycopyrronium_Glycopyrrolate cation_,,,,,,,
CHEMBL1201336,N03AB05_,2,1.55,2,-1.65,1.67,1.46,None,362.28,4,8,3,3,25,ACID,362.28,362.0668,0,0,116.17,0.55,N,5,FALSE,TRUE,FALSE,1,FALSE,1,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,Fosphenytoin_,,,,,,,,
CHEMBL1201338,S01FA54_S01FA04_,0,2.18,1,1.26,2.32,None,8.42,291.39,4,4,1,1,21,NEUTRAL,291.39,291.1834,0,0,49.77,0.82,N,6,FALSE,FALSE,TRUE,0,FALSE,0,CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1,Bell pentolate_Cyclopentolate_,,,,,,,,
CHEMBL1201340,A03AB15_,2,4.36,2,-0.15,-0.15,None,None,278.42,0,1,0,0,21,NA,278.42,278.1903,0,0,0,0.72,N,2,TRUE,FALSE,FALSE,0,FALSE,0,C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1,Diphemanil cation_Diphemanil ion_Diphemanil_,,,,,,,,
CHEMBL1201341,S01EB03_,2,2.61,0,-3.05,-3.05,None,None,256.33,4,4,0,0,15,NA,256.33,256.1131,0,0,35.53,0.49,N,8,FALSE,FALSE,TRUE,0,FALSE,0,CCOP(=O)(OCC)SCC[N+](C)(C)C,Echothiophate ion_Echothiophate cation_Echothiophate_Ecothiopate cation_Ecothiopate_,,,,,,,,
CHEMBL1201342,N04AA03_,0,5.02,2,3.13,5.06,None,9.34,309.48,2,1,0,0,22,BASE,309.48,309.1551,1,1,3.24,0.77,N,2,TRUE,FALSE,FALSE,0,FALSE,0,CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1,Methixene_Metixene_Atosil_,,,,,,,,
CHEMBL1201345,,0,4.22,0,2.66,5.04,-1.05,None,294.46,3,4,1,1,19,ACID,294.46,294.1865,0,0,63.6,0.58,N,11,FALSE,TRUE,FALSE,0,FALSE,0,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O,Tetradecyl sulfate_,,,,,,,,
CHEMBL1201346,A07EC04_,2,2.71,2,-3.62,3.17,3.06,None,357.32,6,9,4,4,26,ACID,357.32,357.0961,0,0,148.65,0.56,N,7,TRUE,FALSE,FALSE,1,FALSE,0,O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1,Balsalazide_,,,,,,,,
CHEMBL1201347,N01AH05_,2,3.41,2,2.15,3.64,None,8.88,352.48,4,4,1,2,26,BASE,352.48,352.2151,0,0,55.56,0.64,N,6,TRUE,TRUE,FALSE,0,FALSE,0,CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1,Adopol_Nipecotan_Alidine_Leritin_Apidol_IDS-NA-012_Anileridine_,,,,,,,,
CHEMBL1201349,M03AC05_,2,8.24,4,-0.28,-0.28,None,None,502.75,0,2,0,0,38,NEUTRAL,502.75,502.3337,2,2,0,0.16,N,9,FALSE,TRUE,FALSE,0,FALSE,0,C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21,Hexafluorenium_Hexafluorenium cation_Hexafluorenium ion_Hexafluronium_,,,,,,,,
CHEMBL1201352,,1,6.91,0,0.1,2.32,None,9.65,597.91,5,6,0,0,43,BASE,597.91,597.4626,2,2,55.84,0.18,N,7,FALSE,TRUE,FALSE,0,TRUE,0,C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1,Rapacuronium ion_Rapacuronium cation_Rapacuronium_,,,,,,,,
CHEMBL1201353,R06AB02_R06AB52_,1,3.82,2,1.52,3.58,None,9.47,274.8,2,2,0,0,19,BASE,274.8,274.1237,0,0,16.13,0.82,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,Chlorpheniramine, (s)-_Chlorphenamine, (s)-_Dexchlorpheniramine_Dapriton_Chlorpheniramine d-form_Chlorpheniramine, d-_,,,,,
CHEMBL1201354,A03AB08_,0,4.72,1,0.29,0.29,13.69,None,318.53,1,2,1,1,23,NEUTRAL,318.53,318.2791,0,0,20.23,0.69,N,8,TRUE,TRUE,FALSE,0,FALSE,0,CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1,Tridihexethyl ion_Tridihexethyl_Tridihexethyl cation_,,,,,,,,
CHEMBL1201355,V04CC04_,1,None,None,None,None,None,None,1352.43,None,None,None,None,None,NA,1352.43,1351.4485,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,Caerulein_Ceruletide_Cerulein_,,,,,,,,
CHEMBL1201356,G02AB01_,1,1.92,2,0.95,1.59,None,7.93,339.44,3,5,3,3,25,NEUTRAL,339.44,339.1947,0,0,68.36,0.8,N,4,TRUE,TRUE,FALSE,0,FALSE,0,CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,Methylergometrine_Ergotyl_Methylergonovine_,,,,,,,,
CHEMBL1201728,,0,2.73,1,1.07,2.29,10.11,8.87,381.47,3,3,2,2,19,BASE,263.38,263.1885,0,0,43.7,0.88,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O,Desvenlafaxine succinate hydrate_DVS-233_WY45233_Dvs anhydrous_WY-45233_Desvenlafaxine succinate anhydrous_O-desmethylvenlafaxine succinate_Pristiq_Desvenlafaxine succinate monohydrate_Desvenlafaxine succinate_,,,,,,,,
CHEMBL1201729,,2,7.05,3,3.96,5.28,9.08,9.79,593.23,6,7,1,1,39,BASE,556.77,556.2971,2,2,88.85,0.13,N,18,TRUE,FALSE,FALSE,0,FALSE,1,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl,Multaq_SR33598B_Dronedarone hcl_SR-33598B_Dronedarone hydrochloride_,,,,,,,,
CHEMBL1201731,,0,2.36,2,1.71,3.21,13.52,8.9,441.9,5,5,3,3,29,BASE,405.44,405.1752,0,0,70.95,0.69,N,6,TRUE,FALSE,FALSE,0,FALSE,0,Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,Nebivolol hydrochloride_R067555_RO67555_Bystolic_Nebivolol hcl_R-067555_,,,,,,,,
CHEMBL1201733,,2,3.14,4,3.55,3.55,10.41,4.36,473.99,8,9,2,3,31,NEUTRAL,437.53,437.1634,0,0,119.03,0.49,N,5,TRUE,FALSE,FALSE,0,FALSE,1,Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl,GW-786034B_Votrient_Pazopanib monohydrochloride_Pazopanib hcl_GW786034B_Pazopanib hydrochloride_Pazopanib (as hydrochloride)_,,,,,,,,
CHEMBL1201734,,2,3.26,2,0.81,1.8,4.36,6.41,394.73,4,5,1,1,23,ACID,358.27,357.1011,0,0,58.36,0.7,N,9,FALSE,TRUE,FALSE,0,FALSE,0,Cl.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21,NSC-138783_Bendamustine hydrochloride_SYB L-0501_Bendamustine hcl_SYBL-0501_Treanda_SDX-105_Bendeka_Ribomustin_Belrapzo_Ribomustine_,,,,,,,,
CHEMBL1201735,,0,3.3,1,2.39,3.27,None,8.22,320.66,2,2,1,1,16,NEUTRAL,239.75,239.1077,0,0,29.1,0.82,N,3,TRUE,FALSE,FALSE,0,FALSE,1,Br.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,BVF-033_Bupropion hydrobromide_Aplenzin_Bupropion hbr_,,,,,,,,
CHEMBL1201740,,2,6.36,5,5.35,5.36,12.38,5.92,584,7,8,2,2,39,NEUTRAL,529.53,529.1838,2,2,97.62,0.27,N,6,TRUE,FALSE,FALSE,0,FALSE,1,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1.Cl.O,Nilotinib hydrochloride monohydrate_Nilotinib Hydrochloride Monohydrate_Nilotinib hydrochloride hydrate_Nilotinib (as hydrochloride)_Nilotinib hydrochloride_Tasigna_,,,,,,,,
CHEMBL1201743,,0,1.16,0,-0.7,-0.08,None,7.9,351.88,4,5,2,3,23,NEUTRAL,315.42,315.1947,0,0,90.35,0.8,N,2,TRUE,FALSE,FALSE,0,FALSE,0,Cl.N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,Saxagliptin hydrochloride_Onglyza_Saxagliptin hcl_Saxagliptin HCl_,,,,,,,,
CHEMBL1201745,C10AB11_,2,3.81,2,0.9,4.36,3.1,None,421.92,3,4,1,1,22,ACID,318.76,318.0659,0,0,63.6,0.85,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-].C[N+](C)(C)CCO,Choline fenofibrate_Trilipix_Fenofibric acid choline salt_ABT-335_,,,,,,,,
CHEMBL1201746,L01BA05_,0,0.98,3,-5.71,0.62,3.26,2.85,477.48,9,12,5,7,35,ACID,477.48,477.1761,2,0,207.3,0.26,N,10,FALSE,TRUE,FALSE,0,FALSE,0,C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,PDX_Pralatrexate_Folotyn_NSC-754230_,,,,,,,,
CHEMBL1201747,S01GX11_,2,2.78,2,1.98,2.17,None,7.15,307.4,4,4,0,0,23,NEUTRAL,307.4,307.1685,0,0,38.13,0.76,N,1,FALSE,FALSE,TRUE,0,FALSE,0,CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1,Alcaftadine_R 89674_Lastacaft_R-89674_,,,,,,,,
CHEMBL1201748,L01CD04_,1,4.57,2,4.2,4.2,11.96,None,835.94,14,15,3,3,60,NEUTRAL,835.94,835.3779,2,2,202.45,0.17,N,10,FALSE,TRUE,FALSE,0,FALSE,1,CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C,XRP-6258_Jevtana_XRP 6258_Cabazitaxel_TXD-258_TXD 258_NSC-761432_Cabazitaxel acetonate_Jevtana kit_,,,,,,,,
CHEMBL1201749,D07AC19_,1,3.52,0,3,3,13.58,None,508.56,7,7,1,1,36,NEUTRAL,508.56,508.2273,1,1,106.97,0.55,N,6,FALSE,FALSE,TRUE,1,FALSE,0,CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Difluprednate_W-6309_Durezol_W 6309_,,,,,,,,
CHEMBL1201752,L01DC04_,1,4.05,1,3.39,3.39,13.85,2.73,506.71,7,7,3,3,35,NEUTRAL,506.71,506.2814,1,1,112.05,0.52,N,2,FALSE,TRUE,FALSE,0,FALSE,1,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1,BMS 247550-01_NSC-747973_Ixabepilone_Ixempra_Ixempra kit_Azaepothilone b_BMS-247550_BMS-247550-01_,,,,,,,,
CHEMBL1201753,C10AA08_,1,4.52,3,0.89,2.92,4.13,4.86,421.47,4,5,3,3,31,ACID,421.47,421.1689,0,0,90.65,0.5,N,8,TRUE,FALSE,FALSE,0,FALSE,0,O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1,Pitavastatin_NSC-760423_Itavastatin_,,,,,,,,
CHEMBL1201754,N03AF03_,2,0.7,2,1.27,1.27,12.64,None,238.2,4,5,1,2,17,NEUTRAL,238.2,238.0666,0,0,73.8,0.85,N,3,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)c1cn(Cc2c(F)cccc2F)nn1,RUF-331_E2080_E-2080_CGP-33101_Rufinamide_RUF 331_CGP 33101_60231/4_Banzel_Inovelon_,,,,,,,,
CHEMBL1201758,,1,4.17,2,0.55,0.55,4.1,9.39,388.9,4,5,1,1,27,ZWITTERION,388.9,388.1554,0,0,62.66,0.73,N,8,FALSE,FALSE,TRUE,0,FALSE,0,O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1,Betotastine_Bepreve_Bepotastine_,,,,,,,,
CHEMBL1201759,,1,4.17,2,0.55,0.55,4.1,9.39,547.07,4,5,1,1,27,ZWITTERION,388.9,388.1554,0,0,62.66,0.73,N,8,FALSE,FALSE,TRUE,0,FALSE,0,O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1.O=S(=O)(O)c1ccccc1,Bepotastine besilate_TAU-284_Bepotastine besylate_Bepotastine benzenesulfonate salt_BB_Talion_Bepotastine Besilate_Bepreve_,,,,,,,,
CHEMBL1201760,S01AE08_,1,3.14,2,0.54,0.54,5.45,9.67,393.85,5,6,2,3,27,ZWITTERION,393.85,393.1255,0,0,88.56,0.84,N,3,FALSE,FALSE,TRUE,0,FALSE,0,N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,ISV-403_Besifloxacin_,,,,,,,,
CHEMBL1201761,,1,3.14,2,0.54,0.54,5.45,9.67,430.31,5,6,2,3,27,ZWITTERION,393.85,393.1255,0,0,88.56,0.84,N,3,FALSE,FALSE,TRUE,0,FALSE,0,Cl.N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,Besifloxacin (as hydrochloride)_Besifloxacin hcl_BOL-303224-A_SS734_SS-734_Besivance_Besifloxacin hydrochloride_,,,,,,,,
CHEMBL1201764,G04BD11_,1,5.38,2,2.65,5.7,None,10.64,411.59,4,4,1,1,30,BASE,411.59,411.2773,1,1,49.77,0.42,N,10,TRUE,FALSE,FALSE,1,FALSE,0,CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1,Fesoterodine_,,,,,,,,
CHEMBL1201765,,1,5.38,2,2.65,5.7,None,10.64,527.66,4,4,1,1,30,BASE,411.59,411.2773,1,1,49.77,0.42,N,10,TRUE,FALSE,FALSE,1,FALSE,0,CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)/C=C/C(=O)O,SPM 8272_SPM 907_SPM-907_Fesoterodine fumarate_Toviaz_SPM-8272_,,,,,,,,
CHEMBL1201766,,2,3.38,1,0.28,3.6,1.44,None,288.28,3,5,2,2,19,ACID,288.28,288.1127,0,0,75.99,0.62,N,6,FALSE,TRUE,FALSE,1,FALSE,0,CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O,Fospropofol_,,,,,,,,
CHEMBL1201770,A06AH01_,0,1.67,1,-2.34,-2.49,9.9,None,436.35,4,5,2,2,26,NEUTRAL,356.44,356.1856,0,0,66.76,0.79,N,2,TRUE,TRUE,FALSE,0,FALSE,0,C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.[Br-],Moa-728_Methylnaltrexone bromide_MRZ-2663BR_Relistor_Naltrexone methobromide_N-methylnaltrexone bromide_Naltrexone methylbromide_MRZ 2663BR_,,,,,,,,
CHEMBL1201772,B01AC22_,0,3.89,2,4.3,4.31,None,5.12,373.45,5,4,0,0,26,NEUTRAL,373.45,373.1148,0,0,46.61,0.75,N,5,TRUE,FALSE,FALSE,1,FALSE,1,CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,NSC-759625_Prasugrel_LY-640315_Efient_,,,,,,,,
CHEMBL1201773,,0,3.89,2,4.3,4.31,None,5.12,409.91,5,4,0,0,26,NEUTRAL,373.45,373.1148,0,0,46.61,0.75,N,5,TRUE,FALSE,FALSE,1,FALSE,1,CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.Cl,LY640315_Prasugrel hcl_Prasugrel hydrochloride_Prasu doc_Effient_,,,,,,,,
CHEMBL1201774,A16AX07_,1,-1.29,1,-1.29,-1.29,13.1,2.82,241.25,8,8,6,7,17,NEUTRAL,241.25,241.1175,1,1,136.55,0.38,N,2,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(O)c2N1,Sapropterin_6r-bh4_Dapropterin_R-thbp_Tetrahydrobiopterin_Daproterin_,,,,,,,,
CHEMBL1201775,,1,-1.29,1,-1.29,-1.29,13.1,2.82,314.17,8,8,6,7,17,NEUTRAL,241.25,241.1175,1,1,136.55,0.38,N,2,TRUE,FALSE,FALSE,0,FALSE,0,C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1.Cl.Cl,Biopten_Kuvan_SUN-0588 (SHIRATORI)_Phenoptin_T-1401_SUN-0588_T1401_Sapropterin dihydrochloride_Dapropterin hydrochloride_T1401 (BIOMARIN)_Sapropterin hydrochloride_,,,,,,,,
CHEMBL1201776,N02AX06_,1,3.08,1,1.07,2.96,10.28,9.6,221.34,2,2,1,1,16,BASE,221.34,221.178,0,0,23.47,0.83,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C,NSC-759619_CG5503 (BASE)_BN 200 (BASE)_BN-200_CG-5503_CG5503 IR_CG5503_Tapentadol_,,,,,,,,
CHEMBL1201777,,1,3.08,1,1.07,2.96,10.28,9.6,257.81,2,2,1,1,16,BASE,221.34,221.178,0,0,23.47,0.83,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl,Tapentadol hydrochloride_CG-5503 HYDROCHLORIDE_BN-200 HYDROCHLORIDE_Nucynta er_Nucynta_Tapentadol hcl_CG5503 HYDROCHLORIDE_Palexia_,,,,,,,,
CHEMBL1201780,A16AA05_,1,-1.03,0,-7.92,-1.45,3.36,None,190.16,3,7,4,5,13,ACID,190.16,190.059,0,0,129.72,0.44,N,5,TRUE,FALSE,FALSE,0,FALSE,0,NC(=O)N[C@@H](CCC(=O)O)C(=O)O,Carbaglu_Carglumic acid_OE-312_NSC-760124_OE 312 (LABORATORY CODE DESIGNATION)_OE 312_N-carbamyl-l-glutamic acid_,,,,,,,,
CHEMBL1201782,,1,4.37,3,-0.48,2.71,0.36,3.9,1004.84,7,10,3,3,41,ACID,614.41,614.1165,1,1,129.91,0.26,N,7,FALSE,TRUE,FALSE,1,FALSE,0,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,Fosaprepitant meglumine_Fosaprepitant (as dimeglumine)_Emend_Fosaprepitant dimeglumine_MK-0517_,,,,,,,,
CHEMBL1201786,,2,3.55,1,0.16,0.16,12.73,None,363.52,3,5,1,1,26,NEUTRAL,363.52,363.2642,0,0,59.28,0.29,N,15,FALSE,FALSE,TRUE,0,FALSE,0,CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1,Lapyrium ion_Lapyrium_Lapyrium cation_,,,,,,,,
CHEMBL1201787,,2,3.55,1,0.16,0.16,12.73,None,398.98,3,5,1,1,26,NEUTRAL,363.52,363.2642,0,0,59.28,0.29,N,15,FALSE,FALSE,TRUE,0,FALSE,0,CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1.[Cl-],Lapirium chloride_Lapyrium chloride_Emcol e-607_E-607_NSC-33659_,,,,,,,,
CHEMBL1201794,,1,-1.61,1,-5.67,-1.04,1.49,None,456.35,10,13,6,6,31,ACID,456.35,456.1046,2,1,208.09,0.18,N,7,FALSE,TRUE,TRUE,0,FALSE,0,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C,Flavin mononucleotide_Riboflavin 5'-phosphate_E101a_Riboflavin phosphate_Vitamin b2 phosphate_,,,,,,,,
CHEMBL1201798,V03AE02_,0,None,None,None,None,None,None,149.62,None,None,None,None,None,NA,149.62,149.0607,None,None,None,None,None,None,TRUE,FALSE,FALSE,0,FALSE,0,C=CCN.ClCC1CO1,Renvela_Renagel_Sevelamer anhydrous_Sevelamer_,,,,,,,,
CHEMBL1201799,,0,None,None,None,None,None,None,211.65,None,None,None,None,None,NA,149.62,149.0607,None,None,None,None,None,None,TRUE,FALSE,FALSE,0,FALSE,0,C=CCN.ClCC1CO1.O=C(O)O,Renvela_Sevelamer carbonate_GT335-012_GT-335-012_,,,,,,,,
CHEMBL1201863,A02BC06_,1,3.52,3,3.03,3.03,9.35,4.16,369.37,4,5,1,1,25,NEUTRAL,369.37,369.0759,0,0,67.87,0.75,N,5,TRUE,FALSE,FALSE,0,FALSE,0,Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2ccccc2[nH]1,NSC-758710_TAK-390_Dexlansoprazole_Dexilant solutab_Lansoprazole, (r)-_Lansoprazole r-form_T-168390_Kapidex_(r)-lansoprazole_Dexilant_,,,,,,,
CHEMBL1201864,G03DB08_,1,3.84,0,2.31,2.31,13.78,None,311.42,3,3,1,1,23,NEUTRAL,311.42,311.1885,0,0,61.09,0.8,N,1,TRUE,FALSE,FALSE,0,FALSE,1,C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N,M 18575_STS 557_M-18575_Endometrion_Dienogest_STS-557_MJR-35_ZK 37659_ZK-37659_,,,,,,,,
CHEMBL1201891,H02AB13_,1,2.56,0,1.8,1.8,None,0.48,441.52,7,7,1,1,32,NEUTRAL,441.52,441.2151,0,0,102.26,0.68,N,3,TRUE,FALSE,FALSE,1,FALSE,0,CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,MDL458_Zamene_Calcort_Emflaza_Deflazacort_MDL-458_MDL 458_,,,,,,,,
CHEMBL1206245,,2,2.78,2,-1.91,1.32,1.62,None,474.42,8,10,2,2,31,ACID,474.42,474.075,0,0,137.82,0.49,N,10,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)(O)O)c2)c(OC)c1,Briciclib_On-013105_ON 014185_ON-014185_,,,,,,,,
CHEMBL1206690,M01AH04_,2,3.53,3,2.57,3.51,4.24,0.42,370.43,5,6,1,1,26,ACID,370.43,370.0987,0,0,89.27,0.74,N,5,FALSE,FALSE,FALSE,1,FALSE,0,CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,Parecoxib_Xapit_SC-69124_Rayzon_,,,,,,,,
CHEMBL1207366,,0,3.8,2,-0.28,2.95,3.87,0.75,368.82,3,5,2,2,26,ACID,368.82,368.0928,0,0,69.64,0.79,N,2,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)C1C/C(=C2/CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1,Gw-468816_Gw468816_GW468816_,,,,,,,,
CHEMBL1208155,H01CC03_,1,5.54,4,3.14,3.14,3.86,9.04,631.6,7,8,2,2,45,ZWITTERION,631.6,631.2106,2,2,102.56,0.16,N,12,TRUE,FALSE,FALSE,0,FALSE,0,COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F,Elagolix_NBI-56418_,,,,,,,,
CHEMBL1208646,,-1,None,None,None,None,None,None,255.23,None,None,None,None,None,NA,255.23,255.0968,None,None,None,None,None,None,TRUE,FALSE,FALSE,0,FALSE,0,Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCC(=O)O,,,,,,,,,
CHEMBL1213135,,1,1.53,2,0.43,1.07,None,7.93,441.48,3,5,3,3,24,NEUTRAL,325.41,325.179,0,0,68.36,0.8,N,3,FALSE,FALSE,FALSE,0,FALSE,0,C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O,Ergotrate_Ergotrate maleate_Cornocentin_Ergometrini hydrogenomaleas_Ergonovine maleate_Ergometrine hydrogen maleate_NSC-93752_Ergometrine maleate_Ermetrine_,,,,,,,,
CHEMBL1213136,,1,1.16,1,0.92,0.95,None,6.37,271.27,4,4,0,0,15,NEUTRAL,208.26,208.1212,0,0,44.12,0.7,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.O=[N+]([O-])O,Piloc nit_Pilagan_Pilocarpini nitras_Pilocarpinum nitricum_NSC-757282_Pilocarpine subnitrate_Pilocarpine mononitrate_Pilocarpine nitrate_,,,,,,,,
CHEMBL1213165,,1,1.35,2,1.1,1.1,10.1,None,441.37,6,8,2,2,30,NEUTRAL,419.38,419.1293,0,0,100.87,0.78,N,3,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N21.[Na+],Tivicay_Dolutegravir sodium_Tivicay pd_GSK1349572A_GSK1349572_Dolutegravir sodium salt_Dovato_GSK-1349572A_,,,,,,,,
CHEMBL1213250,,1,-3.9,2,-7.8,-8.07,2.69,9.14,764.78,16,20,7,10,45,ZWITTERION,666.7,666.1751,3,3,302.21,0.05,N,12,FALSE,TRUE,FALSE,0,FALSE,0,Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1.O=S(=O)(O)O,FR-264205_Ceftolozane sulfate_CXA-101 (FOR SULFATE)_FR264205_,,,,,,,,
CHEMBL1213252,,0,2.58,2,-0.22,3.21,3.32,None,314.73,3,5,2,2,22,ACID,314.73,314.0458,0,0,78.76,0.84,N,2,TRUE,FALSE,FALSE,1,FALSE,1,O=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,ABBOTT-35616 FREE ACID_Chlorazepate_Clorazepic acid_Clorazepate_4306-CB FREE ACID_,,,,,,,,
CHEMBL1213351,N02AC04_,1,4.28,2,2.8,4.9,None,9.52,339.48,3,3,0,0,25,BASE,339.48,339.2198,0,0,29.54,0.67,N,8,TRUE,FALSE,FALSE,0,TRUE,1,CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C,Depromic_D-propoxyphene_Algafan_Propoxyphene_Dextropropoxyphen_J5.928E_Dextropropoxyphene_Levopropoxyphene_Propoxyphene, d-_SK-65_,,,,,,,
CHEMBL1214124,N03AX22_,2,4.44,4,4.11,4.11,None,4.01,349.39,4,4,0,0,27,NEUTRAL,349.39,349.1215,0,0,58.68,0.55,N,3,TRUE,FALSE,FALSE,0,FALSE,1,N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O,E2007_Fycompa_ER-155055-90_E-2007_Perampanel_,,,,,,,,
CHEMBL1214185,J01FA06_,1,2.21,0,1.32,3,12.45,9.08,837.06,17,17,5,5,58,BASE,837.06,836.5246,2,2,216.89,0.08,N,13,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,Rulide_Roxithromycin_RU 965_RU-965_Rulid_RU 28965_NSC-758443_RU-28965_,,,,,,,,
CHEMBL1215661,,2,3.18,3,3.07,3.23,13.2,7.05,376.44,3,5,1,1,28,NEUTRAL,376.44,376.1699,0,0,63.13,0.76,N,4,FALSE,FALSE,FALSE,0,FALSE,0,N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12,LY-2422347_Pruvanserin_LY2422347_LY2420586_LSN-2422347_EMD-390920_LY-2422347 FREE BASE_LY-2420586_LSN2422347_Ly2422347_EMD 390920_EMD-281014_,,,,,,,,
CHEMBL1229211,J05AJ03_,1,1.35,2,1.1,1.1,10.1,None,419.38,6,8,2,2,30,NEUTRAL,419.38,419.1293,0,0,100.87,0.78,N,3,TRUE,FALSE,FALSE,0,FALSE,0,C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21,Dolutegravir_Tivicay_GSK-1349572_GSK 1349572_GSK1349572_S-349572_,,,,,,,,
CHEMBL1229517,L01EC01_,2,5.54,4,4.61,4.62,8.87,2.3,489.93,4,6,2,2,33,NEUTRAL,489.93,489.0725,1,1,91.92,0.33,N,7,TRUE,FALSE,FALSE,0,FALSE,0,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F,RO-51-85426_RO 5185426_Vemurafenib_PLX4032_RG-7204_PLX-4032_RG 7204_Zelboraf_RO-5185426_,,,,,,,,
CHEMBL1229908,R07AB04_,2,1.88,1,1.51,1.52,8.95,None,223.27,3,4,1,1,16,NEUTRAL,223.27,223.1208,0,0,49.77,0.85,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(=O)c1ccc(O)c(OC)c1,Clairvan_Vandid_Etamivan_Emivan_NSC-406087_Ethamivan_,,,,,,,,
CHEMBL1229937,,2,-1.46,0,-1.53,-1.53,13.5,None,90.08,3,3,2,2,6,NEUTRAL,90.08,90.0317,0,0,57.53,0.44,Y,2,FALSE,FALSE,FALSE,0,FALSE,0,O=C(CO)CO,NSC-24343_FEMA NO. 4033_Dihydroxyacetone_Vitadye_,,,,,,,,
CHEMBL1230065,,2,3.12,3,3.35,3.35,13.94,None,406.49,6,8,3,3,30,NEUTRAL,406.49,406.2117,0,0,100.42,0.56,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C,Bms-582949_PS-540446_BMS-582949_Ps-540446_Bms 582949_,,,,,,,,
CHEMBL1230122,,2,2.99,3,2.09,2.09,None,2.56,388.37,7,7,1,1,28,NEUTRAL,388.37,388.1347,0,0,78.27,0.74,N,4,FALSE,FALSE,FALSE,0,FALSE,0,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21,,,,,,,,,
CHEMBL1230165,,2,4.88,4,0.94,3.29,3.02,4.61,349.78,4,5,2,2,25,ACID,349.78,349.0618,0,0,75.11,0.52,N,3,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12,CX-4945_Cx-4945_Cx-4945 free acid_CX4945_Silmitasertib_CX 4945_,,,,,,,,
CHEMBL1230314,,1,1.55,1,1.67,1.67,10.33,None,304.39,4,4,4,4,22,NEUTRAL,304.39,304.1675,0,0,80.92,0.59,N,0,TRUE,FALSE,FALSE,0,FALSE,0,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O,Estetrol anhydrous_Estetrol (anhydrous)_15.alpha.-hydroxyestriol_Estetrol_E4_E-4_,,,,,,,,
CHEMBL1230607,,2,2.31,1,0.16,1.57,11.15,8.79,361.49,4,7,2,2,26,BASE,361.49,361.2478,0,0,81.33,0.86,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C,PHA-793887_Pha-793887_,,,,,,,,
CHEMBL1230609,,2,5.77,4,4.55,4.66,13.18,6.88,632.66,8,10,2,2,46,NEUTRAL,632.66,632.2446,2,2,111.25,0.15,N,12,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1,Gsk1363089_GSK-1363089_EXEL-2880_GSK1363089G_GSK089_XL880_XL-880_GSK-089_Gsk-1363089_GSK-1363089G_Foretinib_,,,,,,,,
CHEMBL1231124,,1,3.01,3,2.09,2.09,13.03,5.21,348.77,7,8,3,3,24,NEUTRAL,348.77,348.1014,0,0,104.3,0.65,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1,AZD1480_Azd-1480_Azd 1480_AZD-1480_,,,,,,,,
CHEMBL1231574,,1,-0.26,2,-7.66,-2.98,2.56,5.3,459.46,9,13,7,8,33,ACID,459.46,459.1866,2,1,202.77,0.26,N,9,TRUE,FALSE,FALSE,0,FALSE,0,CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,(6s)-5-methyltetrahydrofolate_Metafolin_Levomefolic acid_L-5-mthf_5-mthf_Levomefolate_Nutrifolin_L-methylfolate_5- methyltetrahydrofolate_LMSR_Levomefolinic acid_Bodyfolin_,,,,,,,,
CHEMBL1231723,C05BB02_,2,4.05,0,3.94,3.94,None,None,582.82,10,10,1,1,40,NEUTRAL,582.82,582.4343,1,1,103.3,0.11,N,37,FALSE,TRUE,FALSE,0,FALSE,0,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,Asclera_Varithena_Polidocanol_Polyoxyl 9 lauryl ether_,,,,,,,,
CHEMBL1232131,,2,0.34,1,-1.18,1.2,-2.78,None,190.18,4,5,3,3,12,ACID,190.18,189.9936,0,0,94.83,0.44,N,1,FALSE,FALSE,FALSE,0,FALSE,0,O=S(=O)(O)c1cc(O)ccc1O,Dobesilate_,,,,,,,,
CHEMBL1232583,,2,2.91,3,-0.61,2.77,3.49,None,389.43,6,7,1,1,27,ACID,389.43,389.0933,0,0,94.83,0.67,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cc(OC)ccc32)cc1,Indeglitazar_PPM-204_,,,,,,,,
CHEMBL1233528,,1,4.27,2,2.89,4.2,12.25,8.7,618.83,9,11,2,2,45,BASE,618.83,618.4006,2,1,106.17,0.4,N,10,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C,BI-6727_Bi-6727_BI 6727_Volasertib_,,,,,,,,
CHEMBL1234354,,1,2.25,3,1.37,1.37,None,3.7,425.49,9,9,2,3,31,NEUTRAL,425.49,425.2063,0,0,125.38,0.62,N,6,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1,PF-4691502_PF-04691502_Pf-04691502_,,,,,,,,
CHEMBL1234579,N01AX13_N01AX63_,2,0.34,0,1.69,-0.45,4.65,None,44.01,2,3,0,0,3,ACID,44.01,44.0011,0,0,51.21,0.29,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,N#[N+][O-],Dinitrogen monoxide_Entonox_Dinitrogen oxide_Dinitrogenii oxidum_Nitrous oxide_Nitrogen oxide (n(sub 2)o)_INS-942_Nitrogen protoxide_E-942_Laughing gas_Nitrous Oxide_FEMA NO. 2779_INS NO.942_Nitrogenum oxygenatum_Nitrogen monoxide_Protoxide of nitrogen_Factitious air_,,,,,,,,
CHEMBL1236107,,2,3.22,5,3.18,3.18,None,4.26,359.42,8,7,0,0,26,NEUTRAL,359.42,359.0953,0,0,73.79,0.49,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1,SGX-523_SGX523_Sgx-523_,,,,,,,,
CHEMBL1236682,,1,3.48,2,2.24,2.57,7.21,None,572.34,6,7,4,4,31,NEUTRAL,572.34,572.009,1,1,107.89,0.34,N,9,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1,BAY-86-9766_Refametinib_BAY86-9766_Rdea119_BAY 869766_Bay-86-9766_RDEA 119_RDEA-119_BAY-8697661_BAY-869766_BAY 8697661_,,,,,,,,
CHEMBL1236924,,2,7.44,4,6.15,6.54,7.11,3.75,514.22,4,5,1,1,31,NEUTRAL,514.22,511.9323,2,2,68.29,0.3,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl,CHS-131_T-0903131_INT-131_Ibrigampar_T131_AMG-131_T0903131_Int131_,,,,,,,,
CHEMBL1236962,,2,4.84,5,2.58,3.22,6.58,4,505.51,7,8,1,1,36,NEUTRAL,505.51,505.102,1,1,106.96,0.35,N,6,FALSE,FALSE,FALSE,0,FALSE,0,COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F,GSK-2126458_Gsk-2126458_GSK2126458_Omipalisib_,,,,,,,,
CHEMBL1237021,N05AE05_,1,4.26,2,3.43,4.56,None,8.5,492.69,6,6,0,0,35,NEUTRAL,492.69,492.2559,0,0,56.75,0.58,N,5,TRUE,FALSE,FALSE,0,FALSE,1,O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1,Latuda_Lurasidone_,,,,,,,,
CHEMBL1237044,N02AX02_,0,2.63,1,0.62,2.45,13.8,9.23,263.38,3,3,1,1,19,BASE,263.38,263.1885,0,0,32.7,0.91,N,4,TRUE,FALSE,FALSE,0,FALSE,1,COc1cccc(C2(O)CCCCC2CN(C)C)c1,ETS6103_Tramadol_U-26255A_Amanda_E-265_CG-315E_ETS-6103_Ultram_Ultracet_,,,,,,,,
CHEMBL1237054,L01DC02_,1,None,None,None,None,None,None,1085.16,None,None,None,None,None,NA,1085.16,1084.4727,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@@H]2C[C@@H](O)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@H](O)[C@@H](C)O1,Mithramycin a_ANTIBIOTIC LA-7017_Plicamycin_NSC-24559_LA-7017_PA-144_Aureolic acid_A-2371_Mithramycin_Mithracin_,,,,,,,,
CHEMBL1237055,,1,1.63,1,0.58,1.62,10.11,8.59,321.8,4,4,1,1,21,BASE,285.34,285.1365,0,0,49.77,0.79,N,0,TRUE,TRUE,FALSE,0,FALSE,1,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5.Cl,Dilaudid-hp_NSC-117862_Hydromorphone HCl_Hydromorphone hcl_Hydromorphone hydrochloride_Exalgo_Hydromorphone hydrochloride cii_Palladone_Dilaudid_Palladone-sr_Dihydromorphinone hydrochloride_,,,,,,,,
CHEMBL1237061,,1,4.52,3,0.89,2.92,4.13,4.86,881,4,5,3,3,31,ACID,421.47,421.1689,0,0,90.65,0.5,N,8,TRUE,FALSE,FALSE,0,FALSE,0,O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2],Livalo_NK-104_Pitavastatin calcium_Pitavastatin calcium salt_Pitavastatin Calcium_Itavastatin calcium_,,,,,,,,
CHEMBL1237065,,0,2.63,1,0.62,2.45,13.8,9.23,299.84,3,3,1,1,19,BASE,263.38,263.1885,0,0,32.7,0.91,N,4,TRUE,FALSE,FALSE,0,FALSE,1,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,Dromadol xl_Zeridame sr_Ultram er_Zertane_Zamadol 24hr_Contramal_Invodol sr_Tramadol hydrochloride_Amadol_Tramadol hydrochloride civ_Qdolo_Tradonal_Conzip_Zydol xl_Zamudol_Oldaram_Ryzolt_Mabron_Tramacet_Zamadol_NIH-10969_Larapam sr_Dromadol sr_Zamadol melt_Tramake_Maneo_Marol_Tramquel sr_Maxitram sr_U-26,225A_Tradorec xl_Tramadol hcl_Tramake insts_CG-315_Tramal_Zydol sr_U-26225A_NSC-759105_Aceon_Tilodol sr_Tramulief sr_Rybix odt_Zydol_Nobligan ret_Zamadol sr_CG-315E_Ultram_,,,,,,,
CHEMBL1237070,,1,None,None,None,None,None,None,1292.27,None,None,None,None,None,NA,1270.29,1269.4384,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)[O-])c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1.[Na+],Funguard_Micafungin_Micafungin na_Fungard_Micafungin sodium salt_Micafungin sodium_Mycamine_FK463_FK-463_,,,,,,,,
CHEMBL1237072,J01FA13_,1,2.2,0,0.46,2.95,12.48,13.48,835.09,16,16,5,5,58,BASE,835.09,834.5453,2,2,196.33,0.14,N,12,TRUE,FALSE,FALSE,1,FALSE,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O,NSC-758672_LY-237216_Dirithromycin_Dynabac_LY 237216_,,,,,,,,
CHEMBL1237080,,1,2.32,2,0.27,1.88,None,9,348.88,4,5,1,1,23,BASE,312.42,312.195,0,0,50.16,0.93,N,2,TRUE,TRUE,FALSE,0,FALSE,0,CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl,BRL-43694A_BRL 43694A_Granisetron hydrochloride preservative free_Granisetron hydrochloride_Granisteron HCl_Granisol_NSC-759839_Kytril_Bema granisetron_Granisetron hcl_Granisetron (as hydrochloride)_,,,,,,,,
CHEMBL1237082,,0,2.42,0,-0.67,2.37,None,10.88,203.76,1,1,1,1,12,BASE,167.3,167.1674,0,0,12.03,0.63,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,CNC1(C)C2CCC(C2)C1(C)C.Cl,NSC-757086_Mecamylamine hcl_Mecamylamine chloride_Mecamylamine hydrochloride_Inversine_,,,,,,,,
CHEMBL1237099,M03AC07_,0,None,None,None,None,None,None,1106.14,None,None,None,None,None,NA,1035.24,1034.534,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.[Cl-].[Cl-],Doxacurium chloride_Meso doxacurium chloride_Nuromax_Doxacurium chloride, meso-_BW-A938U_BW A938U DICHLORIDE_,,,,,,,
CHEMBL1237102,,1,4.89,2,2.5,2.5,3.71,10.32,456.99,3,4,1,1,31,ZWITTERION,420.53,420.2213,0,0,64.33,0.76,N,4,FALSE,FALSE,TRUE,0,FALSE,0,C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl,Levocabastine hcl_R 50,547_Livostin_R-50547_Levocabastine hydrochloride_,,,,,,,
CHEMBL1237104,,1,4.28,2,2.8,4.9,None,9.52,375.94,3,3,0,0,25,BASE,339.48,339.2198,0,0,29.54,0.67,N,8,TRUE,FALSE,FALSE,0,TRUE,1,CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.Cl,Deprancol_Dextropropoxyphene hydrochloride_Prophene 65_Dextro propoxyphene hydrochloride_Femadol_Algaphan_Kesso-gesic_Doloxene_Harmar_Propoxyphene hcl_Propoxyphene hydrochloride 65_Propoxyphene hydrochloride cii_Darvon_Dextropropoxyphene_Dolene_Proxagesic_Dextropropoxiphene chloride_Propoxyphene hydrochloride_,,,,,,,,
CHEMBL1237105,,1,3.43,0,-0.03,2.89,4.36,None,489.65,4,5,4,4,26,ACID,368.51,368.2563,0,0,97.99,0.31,N,12,FALSE,TRUE,FALSE,0,FALSE,1,CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O.NC(CO)(CO)CO,Carboprost tromethamine salt_Hemabate_U-32921E_U-32,921E_Carboprost tromethamine_Carboprost trometamol_Carboprost trometanol_,,,,,,,
CHEMBL1237119,B01AC21_,1,3.58,1,0.72,4,3.76,None,390.52,4,5,3,3,28,ACID,390.52,390.2406,0,0,86.99,0.53,N,10,TRUE,TRUE,TRUE,0,FALSE,0,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O,15AU81_Uniprost_LRX-15_15-AU-81_Tresprostinil_Rumodolin_Tyvaso_L-606_Remodulin_UT-15_LRX -15_Treprostinil_,,,,,,,,
CHEMBL1237122,G02AD04_,1,3.43,0,-0.03,2.89,4.36,None,368.51,4,5,4,4,26,ACID,368.51,368.2563,0,0,97.99,0.31,N,12,FALSE,TRUE,FALSE,0,FALSE,1,CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O,(15s)-15-methyl-pgf2.alpha._Carboprost_15-methylprostaglandin f2.alpha._U-32921_Hemabate_15-methyl-pgf2.alpha._U-32,921_,,,,,,,
CHEMBL1237123,,0,None,None,None,None,None,None,1035.24,None,None,None,None,None,NA,1035.24,1034.534,None,None,None,None,None,None,FALSE,TRUE,FALSE,0,FALSE,0,COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,Doxacurium cation_Doxacurium ion_,,,,,,,,
CHEMBL1237132,C08CA16_,0,4.25,1,4.09,4.09,None,None,456.32,7,7,1,1,30,NEUTRAL,456.32,455.0902,0,0,90.93,0.48,N,7,FALSE,TRUE,FALSE,0,FALSE,0,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,Clevidepine_Clevidepine butyrate_Clevidipine butyrate_Cleviprex_Clevidipine_,,,,,,,,
CHEMBL1237135,,2,4.21,2,1.48,4.37,None,10.54,313.87,1,1,1,1,21,BASE,277.41,277.183,0,0,12.03,0.83,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl,Ludiomil_NSC-757085_BA-34276_Maprotiline hcl_Maprotiline hydrochloride_BA-34,276_,,,,,,,
CHEMBL1241855,,2,2.8,2,-2.04,-0.25,2.27,5.24,451.5,8,9,2,2,31,ACID,451.5,451.1301,0,0,120.39,0.53,N,11,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1,ON 01910_Rigosertib_,,,,,,,,
CHEMBL1241951,J05AX18_,1,5.71,3,4.22,4.64,3.75,7.15,572.56,7,8,1,1,41,ACID,572.56,572.2047,2,2,77.84,0.38,N,6,TRUE,TRUE,FALSE,0,FALSE,0,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1,MK-8228_Prevymis_Letermovir_AIC246_AIC-246_AIC 246_,,,,,,,,
CHEMBL1254682,,1,3.64,1,1.99,3.76,10.36,9.41,283.41,2,2,1,1,21,BASE,283.41,283.1936,0,0,23.47,0.84,N,2,FALSE,TRUE,FALSE,0,FALSE,0,C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,Naloxiphan_Lorfan_Levallorphan_,,,,,,,,
CHEMBL1254771,,2,1.96,2,-0.01,1.94,None,9.52,502.64,7,9,1,1,35,BASE,502.64,502.225,1,1,100.54,0.47,N,11,FALSE,FALSE,FALSE,0,FALSE,0,COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1,Safotibant_Fov2304_FOV-2304_Lf 22-0542_LF22-0542_Lf-22-0542_Safotibant phosphate_,,,,,,,,
CHEMBL1255654,,2,2.62,1,1.74,2.79,None,8.42,300.83,4,4,1,1,19,NEUTRAL,264.37,264.1838,0,0,41.57,0.58,N,8,FALSE,FALSE,TRUE,0,FALSE,0,CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl,Tetocaine_Tetracaine hcl_Dicainum_Tetracaini hydrochloridum_Tetraca_Menonasal_Tetracaine hydrochloride_Locan_NSC-757337_Amethocaine hydrochloride_Pantocaine_Butethanol_Pontocaine hydrochloride_Anethaine_Curtacain_,,,,,,,,
CHEMBL1255794,,1,4.58,2,1.4,1.48,4.3,7.94,577.72,6,9,3,3,42,ACID,577.72,577.3152,1,1,119.41,0.38,N,10,FALSE,FALSE,FALSE,0,FALSE,0,CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2,AK-602_GSK-873140_Aplaviroc_GW-873140_,,,,,,,,
CHEMBL1255800,A07AA12_,1,None,None,None,None,None,None,1058.05,None,None,None,None,None,NA,1058.05,1056.4252,None,None,None,None,None,None,TRUE,FALSE,FALSE,0,FALSE,0,CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C,Dificlir_OPT-80_PAR-101_Fidaxomicin_Dificid_,,,,,,,,
CHEMBL1255840,,1,1.26,0,-1.42,-1.39,4.22,8.45,256.35,3,5,3,4,18,ACID,256.35,256.1787,0,0,92.42,0.69,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC1(C)CCC(NC(=O)[C@@H](N)CCC(=O)O)CC1,Nebostinel_Cr2249_Neboglamine_XY-2401_,,,,,,,,
CHEMBL1255943,A09AB01_,-1,None,None,None,None,None,None,183.59,None,None,None,None,None,NA,183.59,183.0298,None,None,None,None,None,None,FALSE,FALSE,FALSE,0,FALSE,0,Cl.N[C@@H](CCC(=O)O)C(=O)O,Glutamic acid hydrochloride_Muripsin_L-glutamic acid hydrochloride_Glutamic acid hcl_NSC-9239_L-Glutamic Acid HCl_,,,,,,,,
CHEMBL1256137,,2,-0.13,0,-2.2,-0.42,9.42,10.4,113.61,2,1,2,2,4,BASE,77.15,77.0299,0,0,26.02,0.42,Y,1,FALSE,FALSE,TRUE,0,FALSE,0,Cl.NCCS,NSC-21116_Cysteamine hcl_CI-9148_Cystaran_Mercaptamine hydrochloride_Cystadrops_NSC-758692_NSC-25116_Cysteamine hydrochloride_,,,,,,,,
CHEMBL1256391,L04AX05_,2,2.15,2,2.14,2.14,None,None,185.23,2,2,0,0,14,NEUTRAL,185.23,185.0841,0,0,22,0.67,Y,1,TRUE,FALSE,FALSE,0,FALSE,0,Cc1ccc(=O)n(-c2ccccc2)c1,Pirespa_NSC-748456_AMR-69_Esbriet_Pirfenidone_,,,,,,,,
CHEMBL1256400,,2,3.15,1,1.49,3.78,None,10.29,280.84,2,2,1,1,18,BASE,244.38,244.1939,0,0,24.39,0.85,N,2,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl,Xylometazoline hcl_NSC-757378_Xylometazoline hydrochloride_Otrivine_Neo-synephrine ii_Otrivine hay fever for_Otraspray_Nazo-mist_Otradrops_Otrivin hydrochloride_Xylomet hcl_,,,,,,,,
CHEMBL1256717,,1,6.84,3,3.74,6.73,4.26,None,526.68,3,6,2,2,39,ACID,526.68,526.2832,2,2,86.71,0.35,N,7,FALSE,FALSE,FALSE,0,FALSE,0,Cc1cc(C)c(NC(=O)C[C@H](CC(=O)O)c2cccc3ccccc23)c(C(=O)N2CCC3(CCCC3)CC2)c1,Itriglumide_Cr-2945_,,,,,,,,
CHEMBL1256786,R03AC13_,0,2.22,2,0.04,1.06,8.61,9.81,344.41,5,6,4,4,25,BASE,344.41,344.1736,0,0,90.82,0.41,N,9,FALSE,FALSE,TRUE,0,FALSE,1,COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1,Formoterol_Foradil_,,,,,,,,
CHEMBL1256818,,1,3.38,1,1.08,3.49,None,9.85,370.33,2,2,0,0,20,BASE,271.4,271.1936,0,0,12.47,0.78,N,1,TRUE,FALSE,FALSE,0,FALSE,0,Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O,Franolyn dry_Delsym_Contac coughcaps_Drixoral cough_Tussabron_Dextromethorphan hydrobromide_Brontyl_Benylin dm_Dextromethorphan hydrobromide oros tablets_Dextromethorphan Hydrobromide Monohydrate_Tuxium_Beecham coughcaps_Pediacare 1_Romilar_Franolyn sed_NSC-756723_,,,,,,,,
CHEMBL1256819,,2,2.69,2,1.13,2.88,None,9.24,301.82,3,3,1,1,20,BASE,265.36,265.1579,0,0,27.63,0.9,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cl.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,Antaz hcl_Antazoline hydrochloride_Antazoline hcl_R.b.c._,,,,,,,,
CHEMBL1256958,,1,0.35,1,-1.63,-0.43,9.69,8.91,333.29,4,4,4,4,13,BASE,183.21,183.0895,0,0,72.72,0.51,N,3,FALSE,TRUE,TRUE,0,FALSE,0,CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O,Epinephrini hydrogenotartras_Bronitin_(-)-Epinephrine Bitartrate_Medihaler-epi_NSC-756755_Epinephrine tartrate_Adrenaline acid tartrate_Adrenaline bitartate_Epinephrine hydrogen tartrate_Adrenaline (as tartrate)_L-epinephrine hydrogen tartrate_Adrenaline bitartrate_Epinephrine bitartrate_Bronitin mist_Adrenalin tartrate_Epinephrine d-bitartrate_,,,,,,,,
CHEMBL1256987,,1,5.67,0,1.58,4.42,4.46,None,538.7,5,6,3,3,37,ACID,516.72,516.3451,2,2,104.06,0.25,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)[O-].[Na+],Fucidin leo_Sodium fusidate_Fucidine_Fusidic acid, sodium salt_SQ-16360_SQ 16360_Fusidate sodium_Fusidic acid sodium salt_ZN-6_Fusidic Acid Sodium_Fucidin_,,,,,,,
CHEMBL1257015,B01AC03_,2,2.35,3,0.98,0.98,13.44,5.12,376.42,5,7,2,2,28,NEUTRAL,376.42,376.1535,0,0,93.21,0.66,N,7,FALSE,FALSE,FALSE,0,FALSE,0,COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1,NSC-304384_G-137_Picotamide_,,,,,,,,
CHEMBL1257040,,2,4.95,2,3.97,4.66,None,7.99,480.43,4,3,0,0,28,NEUTRAL,407.51,407.1643,0,0,9.72,0.71,N,4,TRUE,TRUE,FALSE,0,FALSE,1,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl,Trifluoperazine HCl_Trifluoperazine hydrochloride_NSC-757369_Trifluoperazine dihydrochloride_Trifluoperazine maleate_Stelazine_Trifluoperazine hcl_,,,,,,,,
CHEMBL1257051,J01XX11_,1,1.4,3,2.12,2.12,None,None,370.34,8,9,1,1,27,NEUTRAL,370.34,370.119,0,0,106.26,0.74,N,4,FALSE,FALSE,FALSE,0,FALSE,0,Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1,Tedizolid_Sivextro_TR-700_Torezolid_,,,,,,,,
CHEMBL1257073,J05AX24_,1,2.4,1,2.07,2.07,9.15,None,376.33,3,5,1,1,27,NEUTRAL,376.33,376.1035,0,0,66.48,0.64,N,2,TRUE,FALSE,FALSE,0,FALSE,0,O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1,SIGA-246_Tpoxx_ST 246_Tecovirimat_ST-246_,,,,,,,,
CHEMBL1258006,,1,3.26,3,2.04,2.36,None,7.44,361.45,4,5,1,1,27,NEUTRAL,361.45,361.179,0,0,58.37,0.77,N,4,FALSE,FALSE,FALSE,0,FALSE,0,O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1,ATA-101_Bradanicline_TC-5619_TC 5619_,,,,,,,,
CHEMBL1258517,,0,2.78,3,3.79,3.83,11.15,6.33,488.55,9,11,2,2,36,NEUTRAL,488.55,488.2284,1,0,117.63,0.56,N,5,FALSE,FALSE,FALSE,0,FALSE,0,O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1,PKI-179_Pki-179_,,,,,,,,
CHEMBL1259059,J05AP08_,1,1.66,2,1.28,1.28,9.7,None,529.46,10,12,3,3,36,NEUTRAL,529.46,529.1625,2,1,158.18,0.31,N,10,TRUE,FALSE,FALSE,1,FALSE,1,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1,Sofosbuvir_GS-7977_Psi-7977, gs-7977_PSI-7977_GS7977_Sovaldi_,,,,,,,
CHEMBL1269025,B01AF03_,1,1.29,2,0.87,0.9,10.74,6.33,548.07,8,11,3,3,37,NEUTRAL,548.07,547.1769,2,1,136.63,0.48,N,5,TRUE,FALSE,FALSE,0,FALSE,1,CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1,Edoxaban_Lixiana_DU-176_,,,,,,,,
CHEMBL1272307,,1,5.43,4,4.17,4.17,None,0.45,477.56,5,6,1,1,34,NEUTRAL,477.56,477.1522,1,1,75.44,0.42,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1,SB-649868_Sb-649868_GSK649868_,,,,,,,,
CHEMBL1276138,,2,1.85,2,1.47,1.47,None,None,231.25,4,5,0,0,17,NEUTRAL,231.25,231.1008,0,0,59.23,0.75,N,1,FALSE,FALSE,FALSE,0,FALSE,0,O=C(c1ccc2nonc2c1)N1CCCCC1,CX 691_Farampator_SCH-900460_ORG 24448_CX-691_CX691_ORG-24448_,,,,,,,,
CHEMBL1276308,G03XB01_G03XB51_,1,5.41,1,5.13,5.13,12.87,4.89,429.6,3,3,1,1,32,NEUTRAL,429.6,429.2668,1,1,40.54,0.64,N,2,TRUE,FALSE,FALSE,0,FALSE,1,CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,RU 486_Mifeprex_NSC-759862_RU-38486_RU486_Mifepristone_Korlym_RU 38486_RU-486_Mifegyne_,,,,,,,,
CHEMBL1277001,,1,2.88,2,2.52,2.52,11.2,None,438.62,4,6,2,2,29,NEUTRAL,438.62,438.1647,0,0,92.34,0.6,N,10,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,LY 451395_LY451395_Mibampator_LY-451395_,,,,,,,,
CHEMBL1277072,,1,2.04,2,1.59,1.64,11.46,6.46,468.53,5,8,3,3,34,NEUTRAL,468.53,468.2173,0,0,97.9,0.58,N,5,FALSE,FALSE,FALSE,0,FALSE,0,Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CCC2,Henatinib_,,,,,,,,
CHEMBL1278146,,2,3.3,2,1.06,2.68,11.46,9.01,410.49,3,6,2,2,30,BASE,410.49,410.2118,0,0,68.44,0.72,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CC)CCN1CCc2[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c(C)c2C1=O,SHR-1020_SHR1020_Shr-1020_Famitinib_,,,,,,,,
CHEMBL1287853,L01EJ02_,2,4.82,3,3.23,4.64,10.21,9,524.69,8,9,3,3,37,BASE,524.69,524.257,1,1,108.48,0.35,N,10,TRUE,FALSE,FALSE,0,FALSE,0,Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1,Fedratinib_SAR302503_Sar-302503_TG-101348_TG101348_SAR-302503_,,,,,,,,
CHEMBL1287935,,1,4.58,4,3.88,3.88,None,2.45,406.49,8,8,1,1,30,NEUTRAL,406.49,406.2117,0,0,90.37,0.5,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CC[C@H](Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nc(C)no1,GSK-561679_Verucerfont_GSK-561,679_GSK561679A_GSK561679_GSK-561679A_NBI-77860_,,,,,,,
CHEMBL1289494,L01EK03_,2,5.64,4,4.16,4.22,8.27,5.89,454.87,7,9,2,2,32,NEUTRAL,454.87,454.1044,1,1,107.74,0.39,N,6,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC,KIL8951_Krn-951_ASP-4130_Fotivda_KRN-951_Tivozanib_Kil-8951_AV-951_,,,,,,,,
CHEMBL1289601,L01EX08_,2,4.07,3,2.52,2.52,12.37,5.4,426.86,5,8,3,4,30,NEUTRAL,426.86,426.1095,0,0,115.57,0.55,N,6,TRUE,FALSE,FALSE,0,FALSE,0,COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O,Lenvatinib_Kisplyx_ER-203492-00_E-7080_Lenvima_,,,,,,,,
CHEMBL1289926,L01EK01_,2,4.64,4,4.15,4.15,13.07,4.59,386.48,4,5,2,2,28,NEUTRAL,386.48,386.1201,0,0,70.67,0.52,N,5,TRUE,FALSE,FALSE,0,FALSE,0,CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1,Inlyta_NSC-757441_Axitinib_AG-13736_AG-013736_,,,,,,,,
CHEMBL1314751,,2,4.58,2,3.69,4.38,None,7.99,606.1,4,3,0,0,25,NEUTRAL,373.95,373.1379,0,0,9.72,0.78,N,4,TRUE,FALSE,FALSE,0,FALSE,1,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O,Prochlorperazine dimaleate_Compazine_Vertigon_Buccastem m_Buccastem_Proziere_Procomp_Prochlorperazine maleate_,,,,,,,,
CHEMBL1315867,,0,1.52,1,-0.73,0.44,8.86,9.76,548.66,4,4,4,4,16,BASE,225.29,225.1365,0,0,72.72,0.63,N,3,TRUE,TRUE,TRUE,0,FALSE,1,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,Bricanyl sa_Brethaire_Terbutaline sulfate_KWD 2019_NSC-757336_Brethine_Monovent sa_Bricanyl_Terbasmin_Terbutaline sulphate_KWD-2019_Monovent_,,,,,,,,
CHEMBL1318287,,2,2.64,0,-6.28,-6.28,None,None,538.59,0,2,0,0,17,NA,240.44,240.2555,0,0,0,0.49,N,6,FALSE,TRUE,FALSE,0,FALSE,0,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O,Pentolinium tartrate_NSC-759890_Pentolonum bitartrate_Pentolonium tartrate_Ansolysen_,,,,,,,,
CHEMBL1319139,,2,4.56,1,2.59,4.42,None,9.23,412.6,2,2,1,2,18,BASE,376.14,373.9993,0,0,29.26,0.78,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,Bromehexine hydrochloride_Bisolvon_Bromhexine hydrochloride_NA 274_Bromhexine hcl_Brombenzonium_NSC-758383_NA-274_,,,,,,,,
CHEMBL1319362,,0,1.89,1,-0.38,1.59,11.99,9.38,356.26,4,4,1,1,20,BASE,275.35,275.1521,0,0,49.77,0.86,N,3,FALSE,FALSE,FALSE,0,FALSE,0,Br.CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,NSC-757047_Homatropine hydrobromide_Homatropini hydrobromidum_DL-Homatropine hydrobromide_Isopto homatropine_,,,,,,,,
CHEMBL1320667,,0,1.65,1,-1.47,1.34,4.13,2.97,205.21,3,4,1,1,15,ACID,205.21,205.0739,0,0,58.89,0.82,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)CC1CC(c2ccccc2)=NO1,VGX-1027_Zenuzolac_GIT 27_GIT-027_Vgx-1027_VGX 1027_,,,,,,,,
CHEMBL1322884,P03AC03_P03AC53_,0,5.76,2,5.57,5.57,None,None,350.46,3,3,0,0,26,NEUTRAL,350.46,350.1882,1,1,35.53,0.49,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,Full marks_Phenothrin_NSC-758668_S-2539F_Hegor antipoux_Sumithrin_D-phenotrhin_,,,,,,,,
CHEMBL1323699,,0,4.13,1,5.11,5.11,None,2.9,277.41,3,3,0,0,20,NEUTRAL,277.41,277.2042,0,0,29.54,0.67,N,8,FALSE,FALSE,FALSE,0,FALSE,0,CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1,Arlatone uvb_Escalol 507_Spectraban 4_Uvasorb dmo_Octyl dimethyl paba_Eusolex 6007_Padimate o_Spectraban 25_Pamimate o_Ethylhexyl dimethyl paba_Spectraban ultra_Padimate-o_,,,,,,,,
CHEMBL1324714,,2,3.02,2,2.68,3.55,None,8.2,302.85,2,2,0,0,20,NEUTRAL,266.39,266.1783,0,0,6.48,0.84,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl,Cyclizine hydrochloride_Marzine_Cyclizine hcl_NSC-169102_,,,,,,,,
CHEMBL1329455,C01DX12_,2,0.09,1,-1.03,-1.02,7.99,None,242.24,6,8,0,0,17,NEUTRAL,242.24,242.1015,0,0,82.78,0.7,N,3,FALSE,FALSE,FALSE,1,FALSE,0,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,CAS 276_Corvaton ret_CAS-276_Corvaton_NSC-757398_Molsidomine_Corvaton mite_Morsydomine_Corvasal_,,,,,,,,
CHEMBL1329567,,0,-0.24,1,-1.97,-0.82,9.95,8.76,794.86,6,8,4,4,24,BASE,339.39,339.1794,0,0,103.29,0.49,N,8,FALSE,FALSE,FALSE,0,FALSE,0,O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(O)/C=C/C(=O)O,Ici-118587 hemifumarate_Corwin_Xamoterol fumarate_Xamoterol hemifumarate_Ici-118,587 hemifumarate_ICI 118,587_,,,,,,
CHEMBL1330792,P01CD02_A07AX02_G01AB01_,2,None,None,None,None,None,None,275.09,None,None,None,None,None,NA,275.09,274.9775,None,None,None,None,None,None,FALSE,FALSE,FALSE,0,FALSE,0,CC(=O)Nc1cc([As](=O)(O)O)ccc1O,Acetarsone_NSC-13160_Stovarsol_S.v.c._Gynoplix_Acetarsol_,,,,,,,,
CHEMBL1331216,A03BA03_,1,1.93,1,-0.41,1.57,None,9.39,289.37,4,4,1,1,21,BASE,289.37,289.1678,0,0,49.77,0.86,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,(-)-hyoscyamine_Bellafoline_Hyoscyaminum_NSC-757064_Daturine_Cystospaz_Atropine, (s)-_(-)-atropine_Hyoscyamine_(s)-(-)-hyoscyamine_Duboisine_L-hyoscyamine_,,,,,,,
CHEMBL1334033,,0,5.3,0,2.62,5.53,None,10.58,393.57,1,1,1,1,20,BASE,277.5,277.277,1,1,12.03,0.74,N,4,FALSE,FALSE,FALSE,0,TRUE,0,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)/C=C\C(=O)O,Pexsig_Perhexiline maleate_Perhexilinum_NSC-758409_Pexid_,,,,,,,,
CHEMBL1334078,D08AX07_,2,0.13,0,0.21,0.32,7.93,None,74.44,1,1,1,1,2,NEUTRAL,52.46,51.9716,0,0,20.23,0.42,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,[Na+].[O-]Cl,Clorox_Dakin's solution_Dental antiformin_Milton no.2_Household bleach_Hypochlorous acid, sodium salt_Milton in emuls wax_Natrum hypochlorosum_Actichlor_Milton in liq paraf_Sodium hypochlorite_Antiformin, dental_Chlorasol_Sodium hypochlorite [solution, diluted]_,,,,,
CHEMBL1334860,,2,3.27,2,3.08,3.08,13.09,None,328.15,4,5,0,0,21,NEUTRAL,328.15,327.0065,0,0,59.75,0.49,N,4,FALSE,FALSE,FALSE,1,FALSE,0,CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1,Dichlofurazol_Furentomin_Furamide_NSC-759146_Entamizole_Histomibal_Diloxanidi furoas_Diloxanide furoate_,,,,,,,,
CHEMBL1354199,,1,1.06,1,-3.27,-3.27,None,None,398.3,4,5,1,1,23,NEUTRAL,318.39,318.17,0,0,59.06,0.51,N,4,TRUE,FALSE,FALSE,0,FALSE,0,C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-],Methylscopolamine bromide_Methscopolamine bromide_Hyoscine methobromide_Pamine forte_Scopolamine methylbromide_NSC-120606_Holopon_N-methylscopolamine bromide_N-methylscopolamine methylsulfate_Scopolamine methyl bromide_Epoxytropine tropate methylbromide_Pamine_(-)-Scopolamine Methyl Bromide_,,,,,,,,
CHEMBL1357648,,2,5.18,3,2.32,3.8,9.1,10.17,464.82,4,4,2,2,25,BASE,355.87,355.1451,1,1,48.39,0.6,N,6,TRUE,FALSE,FALSE,0,FALSE,0,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O,Amodiaquine hcl_Amodiaquini hydrochloridum_NSC-755863_Camoquin_Amodiaquine hydrochloride_Camoquin hydrochloride_,,,,,,,,
CHEMBL1364144,,1,2.37,0,2,2,12.61,None,416.51,6,6,2,2,30,NEUTRAL,416.51,416.2199,0,0,100.9,0.69,N,3,FALSE,TRUE,TRUE,0,FALSE,0,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,NSC-48985_Depo-medrone_Depo-medrol_M-predrol_Methyl prednisolone acetate_Medrol acetate_Depmedalone_Medrol_Neo-medrone_Methylprednisolone 21-acetate_Methylprednisolone acetate_,,,,,,,,
CHEMBL1364551,,2,2.2,2,2.16,2.19,None,6.28,371.31,5,5,1,1,22,NEUTRAL,298.39,298.1794,0,0,50.28,0.92,N,5,FALSE,FALSE,FALSE,0,TRUE,0,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,30038-CB_Cantor_Minaprine hydrochloride_30038CB_Minaprine hcl_NSC-305742_Minaprine dihydrochloride_,,,,,,,,
CHEMBL1366933,,1,2.48,2,3.13,3.21,None,6.67,265.36,3,3,0,0,20,NEUTRAL,265.36,265.1579,0,0,19.37,0.73,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1,Mirtazapine, (s)-_(s)-mirtazapine_Esmirtazapine_ORG-44-20_(s)-6-azamianserin_(s)-org 3770_,,,,,,,
CHEMBL1367605,,0,2.35,2,0.51,1.82,9.15,9.81,323.82,4,4,4,4,21,BASE,287.36,287.1521,0,0,72.72,0.66,N,6,TRUE,TRUE,FALSE,0,FALSE,0,CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1.Cl,NSC-291565_Luteonin_Yutopar_Ritodrine hydrochloride_Ritodrine hcl_,,,,,,,,
CHEMBL1370561,R03DA55_R03DA05_,2,-1.04,2,-0.84,-0.81,8.44,2.44,420.43,5,6,1,1,13,NEUTRAL,180.17,180.0647,0,0,72.68,0.56,N,0,TRUE,TRUE,TRUE,0,FALSE,0,Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN,NSC-7919_Somophyllin-df_Cardophyllin_Linampheta_Amnivent-225 sr_Phyllocontin_Syntophyllin_Truphylline_Theophylline-ethylenediamine_Aminophyllinum_Amnivent-350 sr_Somophyllin_Aminophylline_Ammophyllin_Aminophyllin_Theophyllamine_Aminophylline dye free_Peterphyllin_Aminophylline In Sodium Chloride_Theophylline ethylenediamine_,,,,,,,,
CHEMBL1371200,C03DA02_,1,3.89,0,0.11,2.93,4.48,None,396.57,3,4,2,2,26,ACID,358.48,358.2144,0,0,74.6,0.8,N,3,FALSE,FALSE,FALSE,0,FALSE,0,C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-].[K+],NSC-757789_Canrenoate potassium_Soldactone_SC-14266_Potassium canrenoate_Kanrenol_Canrenone free acid potassium salt_Spiroctan-m_,,,,,,,,
CHEMBL1371770,N04BC08_,2,1.53,2,1.95,2.03,None,6.73,298.35,6,6,0,0,22,NEUTRAL,298.35,298.143,0,0,50.72,0.86,N,3,FALSE,FALSE,FALSE,0,FALSE,0,c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,ET-495_Piribedil_Trivastal lp_EU-4200_Trivastal_,,,,,,,,
CHEMBL1372950,C04AE02_,1,3.91,3,2.9,3.7,None,8.12,484.39,6,6,0,0,31,NEUTRAL,484.39,483.1158,0,0,56.59,0.53,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13,Circo-maren_FI-6714_Ergotop_Nilogrin_NSC-150531_Memoq_Ergobel_Nicergoline_Nicergolent_Duracebrol_Sermion_Vasospan_Dilasenil_Cergodum_,,,,,,,,
CHEMBL1373254,C03AA07_,0,1.6,1,1.44,1.45,9.07,None,379.89,5,7,3,4,23,NEUTRAL,379.89,379.0427,0,0,118.36,0.74,N,3,FALSE,FALSE,FALSE,0,FALSE,0,NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O,Navidrex_SU-8341_NSC-107679_Cyclopenthiazide_,,,,,,,,
CHEMBL1374379,R05DB01_,2,2.83,1,2.35,2.35,None,3.47,603.75,12,12,1,1,42,NEUTRAL,603.75,603.3619,2,2,121.4,0.1,N,32,TRUE,FALSE,FALSE,0,FALSE,1,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,NSC-760128_Tessalon_Benzonatate_,,,,,,,,
CHEMBL1375743,,2,3.81,3,4.13,4.3,12.21,7.09,467.42,5,5,1,1,28,NEUTRAL,412.95,412.1125,0,0,48.47,0.71,N,4,TRUE,FALSE,FALSE,0,FALSE,1,Cl.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,Geodon_Zeldox_Ziprasidone hydrochloride hydrate_CP-88059-1_Ziprasidone hydrochloride monohydrate_Ziprasidone hydrochloride_CP-880591_CP-88,059-1_,,,,,,,
CHEMBL1378024,J04AD01_,2,1.67,1,1.77,1.77,11.89,4.97,180.28,2,2,1,2,12,NEUTRAL,180.28,180.0721,0,0,38.91,0.72,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,CCCc1cc(C(N)=S)ccn1,Trevintix_TH-1321_Prothionamide_RP-9778_Ektebin_Protionamidum_Peteha_NSC-758962_Protionamide_RP 9778_,,,,,,,,
CHEMBL1382627,D06BA51_D06BA01_,2,0.86,2,-0.05,0.39,6.99,2.01,357.14,5,6,2,3,17,NEUTRAL,250.28,250.0524,0,0,97.97,0.79,N,3,FALSE,FALSE,TRUE,0,FALSE,0,Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+],Silvazine_Silver sulphadiazine_Sildaflo_Ssd af_Sulfadiazine silver salt_Sulfadiazinum argentum_Silvadene_Flammacerium_Sulfadiazine silver_Dermazin_Thermazene_Flamazine_Silver sulfadiazine_Altreet-ag_Sulfadiazine, silver_,,,,,,,
CHEMBL1398126,,2,-1.08,1,-0.77,-0.5,11.43,7.35,302.12,6,8,5,8,15,NEUTRAL,229.63,229.0479,1,0,156.79,0.3,N,1,TRUE,FALSE,FALSE,0,FALSE,1,Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N.O.O,Amiloride hcl_Amiloride hydrochloride_Amilamont_NSC-755847_Amipramidine_Berkamil_Amoride_Amiloride hydrochloride dihydrate_Amilospare 5_Midamor_Amiloridi hydrochloridum_,,,,,,,,
CHEMBL1401367,,0,3.09,2,-0.62,-0.62,11.05,None,434.37,3,4,1,1,26,NEUTRAL,354.47,354.2064,0,0,46.53,0.66,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],Piptal_Pipenzolone bromide_NSC-4347_Pipenzolate bromide_Pipenzolate methylbromide_JB-323_,,,,,,,,
CHEMBL1407915,,0,3.24,2,2.77,3.4,None,7.92,289.81,2,2,0,0,19,NEUTRAL,253.35,253.1467,0,0,12.47,0.77,N,1,FALSE,FALSE,FALSE,0,FALSE,0,CN1CCOC(c2ccccc2)c2ccccc2C1.Cl,NSC-757856_Nefopam hcl_Acupan_Nefopam hydrochloride_,,,,,,,,
CHEMBL1408594,,2,4.57,2,2.55,5.46,None,10.44,473.57,1,1,0,0,21,BASE,281.44,281.2143,0,0,3.24,0.65,N,9,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,Spasmonal fte_Proverine_Spasmaverine_Prophelan_Relaxyl_NSC-35459_Profenine_Spasmonal_Calmabel_Spacolin_Alverine citrate_Phenpropamine citrate_Gielism_Audmonal_Antispasmin_Gamatran citrate_Profenil citrate_,,,,,,,,
CHEMBL1410743,N05CC05_,2,1.09,0,0.88,0.88,None,None,132.16,3,3,0,0,9,NEUTRAL,132.16,132.0786,0,0,27.69,0.49,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,CC1OC(C)OC(C)O1,Paraldehyde_NSC-9799_2,4,6-trimethyl-s-trioxane_Paraldehyde civ_Paracetaldehyde_Paral_FEMA NO. 4010_,,,,,,
CHEMBL1410808,,-1,None,None,None,None,None,None,324.42,None,None,None,None,None,NA,324.42,324.1725,None,None,None,None,None,None,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ccc(O)cc1.Cc1cccc(O)c1.Cc1ccccc1O,NSC-756709_Phenol, methyl-_Sinfect_Cresol (mixed isomers)_Cresol_Cresolum_Cresylic acid_Methylphenol_Tricresol_Mixed cresols_,,,,,,,
CHEMBL1411731,,0,1.65,2,1.86,2.09,11.52,7.23,517.99,8,9,2,3,34,NEUTRAL,481.53,481.1308,0,0,128.03,0.49,N,5,FALSE,FALSE,FALSE,1,FALSE,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21.Cl,Aseocillin_Talpen_Talampicillin hydrochloride_BRL 8988 HYDROCHLORIDE_,,,,,,,,
CHEMBL1417019,,2,-0.14,2,-1.09,0.75,8.21,9.22,517.41,10,10,8,8,32,BASE,444.49,444.2009,1,1,163.18,0.14,N,12,FALSE,TRUE,FALSE,0,FALSE,1,Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,CL 232,315_CL-232315_Mitoxantrone hcl_Mitozantrone_Mitoxantrone Dihydrochloride_Novantrone_Mitoxantrone Dihcl_Mitoxantrone hydrochloride_Mitoxantrone dihydrochloride_NSC-301739_,,,,,,,
CHEMBL1418176,D11AE01_A14AA03_,1,4.05,0,3.64,3.64,None,None,300.44,2,2,1,1,22,NEUTRAL,300.44,300.2089,0,0,37.3,0.73,N,0,FALSE,FALSE,FALSE,0,TRUE,0,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,Metandienone_Dianabol_Nerobol_Perbolin_Methandrostenolone_NSC-42722_Methandienone_,,,,,,,,
CHEMBL1434513,,1,0.09,1,-1.82,-0.68,9.5,8.85,337.28,4,4,4,5,12,BASE,169.18,169.0739,0,0,86.71,0.47,N,2,FALSE,TRUE,FALSE,0,FALSE,1,NC[C@H](O)c1ccc(O)c(O)c1.O.O=C(O)C(O)C(O)C(=O)O,Levophed_Norepinephrine bitartrate in 5% dextrose_Norepinephrine bitartrate monohydrate_Noradrenaline (as tartrate)_Norepinephrine_Noradrenaline bitartrate_Binodrenal_Noradrenaline_NSC-169106_Norepinephrine bitartrate_Aktamin_Noradrenaline tartrate_Levarterenol Bitartrate_Adrenor_Norepinephrine hydrochloride_Arterenol, tartrate, monohydrate_Levarterenol bitartrate_Norepinephrine d-bitartrate_,,,,,,
CHEMBL1439973,A04AD54_A04AD04_,2,2.13,0,1.75,1.75,12.59,None,177.46,1,1,1,1,8,NEUTRAL,177.46,175.9562,0,0,20.23,0.56,Y,0,FALSE,FALSE,FALSE,0,FALSE,0,CC(C)(O)C(Cl)(Cl)Cl,Chlorobutanol_Chloretone_Chlorbutol_Chlorobutanol, anhydrous_NSC-44794_Chlorobutanolum_Trichlorisobutylalcohol_Anhydrous chlorobutanol_,,,,,,,
CHEMBL1441059,,0,1.31,1,-1.32,0.34,10.12,9.4,576.71,4,4,4,4,17,BASE,239.31,239.1521,0,0,72.72,0.64,N,4,TRUE,FALSE,TRUE,0,FALSE,1,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.O=S(=O)(O)O,Albuterol sulphate_Salbutamol sulphate_SCH 13949W SULFATE_Proventil-hfa_Salbutamol (as sulfate)_Torpex_Venetlin_Ventolin rotacaps_Salbumol_R03CC02_Vospire er_Buventol_Loftan_Salbutamoli sulfas_Volmax_R03AC02_Accuneb_Salbutamol sulfate_Proair digihaler_Ventolin_Ventolin hfa_Albuterol sulfate_Proair_Vospire_Sch 13949w sulphate_Proair hfa_Sultanol_Proair respiclick_Ventilastin_Ecovent_Sulbutamol (as sulphate)_Salamol_SCH-13949W SULFATE_Sch-13949w sulphate_Proventil_NSC-289928_,,,,,,,,
CHEMBL1442422,N06AA08_,2,2.98,2,1.75,2.64,None,8.23,295.39,3,4,0,0,22,NEUTRAL,295.39,295.1685,0,0,26.79,0.87,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21,Dibenzepin_,,,,,,,,
CHEMBL1446650,,0,4.6,2,2.08,4.89,None,10.31,466.02,6,6,0,0,31,BASE,429.56,429.2515,0,0,57.23,0.34,N,13,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl,Mebeverine hcl_Colofac_Colofac 100_CSAG-144_Mebeverine hydrochloride_Colofac ibs_NSC-169101_Colofac mr_Fomac_,,,,,,,,
CHEMBL1446813,,2,0.84,1,-1.68,0.63,None,9.77,209.12,2,2,1,1,10,BASE,136.2,136.1,0,0,24.92,0.67,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,CNCCc1ccccn1.Cl.Cl,Betahistine hydrochloride_Betahistine dihydrochloride_PT-9_Serc-16_Serc_NSC-757397_Betahistine hcl_Serc-8_,,,,,,,,
CHEMBL1448187,,2,4.31,2,3.41,3.97,None,7.81,510.45,5,4,1,1,30,NEUTRAL,437.53,437.1749,0,0,29.95,0.73,N,6,TRUE,TRUE,FALSE,0,FALSE,1,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,Fluphenazine dihydrochloride_Permitil_Moditen_Fluphenazine hydrochloride_SQUIBB 4918_Prolixin_NSC-179197_,,,,,,,,
CHEMBL1449676,G01AF06_P01AB03_J01XD03_,0,0.7,1,0.26,0.26,13.82,3.27,219.63,5,6,1,1,14,NEUTRAL,219.63,219.0411,0,0,81.19,0.46,N,4,FALSE,FALSE,FALSE,0,FALSE,0,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,Ornidazole_RO 7-0207_Tiberal_RO-7-0207_NSC-95075_RO-70207_,,,,,,,,
CHEMBL1451116,D09AA13_,2,2.58,0,4.65,4.65,None,None,393.73,0,0,0,0,4,NA,393.73,393.7212,0,0,0,0.44,N,0,FALSE,FALSE,FALSE,0,FALSE,0,IC(I)I,NSC-26251_Iodoform_Iodoformum_,,,,,,,,
CHEMBL1452696,M02AA16_M01AX18_M01AX68_,2,3.95,2,2.07,4.02,4.93,None,320.39,2,4,0,0,24,ACID,320.39,320.1525,0,0,40.62,0.63,N,4,FALSE,FALSE,FALSE,0,TRUE,0,CC(C)=CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,DA-2370_DA 2370_Feprazone_,,,,,,,,
CHEMBL1453317,P03BX01_,2,2.48,1,2.5,2.5,None,None,191.27,1,2,0,0,14,NEUTRAL,191.27,191.131,0,0,20.31,0.72,Y,3,FALSE,FALSE,FALSE,0,FALSE,0,CCN(CC)C(=O)c1cccc(C)c1,ENT-20218_NSC-33840_Deet n,n-diethyl-meta-toluamide_Diethyltoluamidum_ENT-22542_Oristar deet_Deet_DEET_Diethyltoluamide_N,n-diethyl 3-methyl benzamide_Diethyl toluamide_,,,,,,
CHEMBL1455497,,0,-1.09,0,-6.81,-1.11,3.2,None,134.09,3,5,3,3,9,ACID,134.09,134.0215,0,0,94.83,0.46,N,3,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)CC(O)C(=O)O,INS NO. 296_E296_NSC-25941_Dl-malic acid_L-malate_NSC-9232_Pomalous acid_Malic acid_Malic acid l-(-)-form_Hydroxysuccinnic acid (-)_L-malic acid_INS NO.296_FEMA NO. 2655_D,l-malic acid_Hydroxybutanedioic acid, (-)-_Hydroxybutanedioic acid_Apple acid_Malate_INS-296_Malic acid, l-_E-296_Salivix_Malic acid, dl-_,,,,
CHEMBL1472989,,0,2.37,1,-0.03,2.2,None,9.67,766.97,5,5,2,2,23,BASE,325.45,325.2253,0,0,59.95,0.58,N,12,TRUE,FALSE,FALSE,0,FALSE,0,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O,Cardicor_Bisoprolol hemifumarate_Monocor_Congescor_Detensiel_Vivacor_Bipranix_CL 297,939_CL-297939_Emcor ls_Emconcor_Soloc_Emcor_EMD-33-512_EMD-33512_Isoten mitis_Soprol_Zebeta_Isoten_Concor_Bisoprolol fumarate_Speridol_Euradal_,,,,,,,
CHEMBL1477274,,0,3.16,1,1.55,3.07,10.23,9.16,269.82,2,2,1,1,17,BASE,233.35,233.178,0,0,23.47,0.85,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CCC1(c2cccc(O)c2)CCCCN(C)C1.Cl,Meptazinol hydrochloride_WY 22811 HCL_Meptid_IL 22811 HCL_WY-22811_WY-22811 HCL_IL-22811 HCL_Meptazinol hcl_,,,,,,,,
CHEMBL1480987,C04AX01_,0,3.48,1,3.72,3.72,11.99,None,276.38,3,3,1,1,20,NEUTRAL,276.38,276.1725,0,0,46.53,0.86,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1,Natil_Novodil_Cyclobral_Cyclomandol_NSC-758910_Spasmocyclon (3m)_Cyclandelate_Cyclolyt_Perebral_Cyclergine_Cyclospasmol_,,,,,,,,
CHEMBL1484251,,2,4.18,2,-1.3,4.51,None,10.45,578.38,4,10,10,10,34,BASE,505.46,504.2032,2,2,167.58,0.14,N,9,FALSE,FALSE,FALSE,0,FALSE,0,Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,Chlorhexidine dihydrochloride_Dantroche hibitane_AY-5312_Chlorhex hcl_NSC-756679_Chlorhexidine hcl_Chlorhexidine hydrochloride_,,,,,,,,
CHEMBL1491306,H03BA03_,2,2.06,2,3.07,3.08,9.31,None,218.28,4,3,2,1,15,NEUTRAL,218.28,218.0514,0,0,46.01,0.6,N,2,FALSE,FALSE,FALSE,0,FALSE,0,Oc1cc(Cc2ccccc2)nc(S)n1,Bentiuracil_Basdene_Benzylthiouracil_NSC-39511_NSC-6508_,,,,,,,,
CHEMBL1492500,N06AA16_,2,4.68,2,2.19,4.52,None,9.76,295.45,2,1,0,0,21,BASE,295.45,295.1395,0,0,3.24,0.81,N,3,FALSE,FALSE,FALSE,0,FALSE,0,CN(C)CC/C=C1\c2ccccc2CSc2ccccc21,Dothiepin_Dosulepin_Dothirpin_,,,,,,,,
CHEMBL1511957,,0,3.85,2,3.32,4.27,None,8.31,359.9,3,3,0,0,24,NEUTRAL,323.44,323.1885,0,0,29.54,0.78,N,5,FALSE,FALSE,FALSE,0,FALSE,0,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl,Dactil_Piperidolate hydrochloride_,,,,,,,,
CHEMBL1512677,,2,3.43,1,4.47,4.47,10.39,None,178.27,1,1,1,1,13,NEUTRAL,178.27,178.1358,0,0,20.23,0.7,N,4,FALSE,FALSE,FALSE,0,FALSE,0,CCCCCc1ccc(C)cc1O,6-n-amyl-m-cresol_Amylmetacresol_Throaties_,,,,,,,,
CHEMBL1514715,B02BX01_,2,0.34,1,-1.18,1.2,-2.78,None,263.31,4,5,3,3,12,ACID,190.18,189.9936,0,0,94.83,0.44,N,1,FALSE,FALSE,FALSE,0,FALSE,0,CCNCC.O=S(=O)(O)c1cc(O)ccc1O,Dicynene_E 141_MD 141_Etamsilate_Etamsylate_Dicynene 1000_MD-141_Diethylamine dobesilate_Dicynone_E-141_Ethamsylate_,,,,,,,,
CHEMBL1516474,,2,2.81,2,1.84,2.95,None,8.5,417.47,3,6,4,4,22,BASE,301.39,301.1903,0,0,85.29,0.27,N,7,TRUE,FALSE,FALSE,0,TRUE,0,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12.O=C(O)/C=C\C(=O)O,HTF-919_Tegaserod maleate_NSC-760425_HTF 919_Zelnorm_Zelmac_,,,,,,,,
CHEMBL1523964,,1,1.33,1,-0.78,1.32,13.89,9.52,428.55,2,2,2,2,12,BASE,165.24,165.1154,0,0,32.26,0.71,Y,3,FALSE,TRUE,FALSE,0,FALSE,0,CN[C@@H](C)[C@H](O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.O=S(=O)(O)O,Ephedrine sulfate_Isofedrol_Ephedrini sulfas_Franol-plus_Ephedrine sulphate_Akovaz_Corphedra_Franol plus_Emerphed_Expansyl_,,,,,,,,
CHEMBL1524273,A07AB02_,2,2.89,3,-1.48,2.55,2.91,0.59,403.44,6,8,3,3,27,ACID,403.44,403.0297,0,0,125.46,0.58,N,6,FALSE,FALSE,FALSE,0,FALSE,0,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,Sulfathalidine_NSC-683525_Thalazole_Phthalylsulfathiazole_Sulfaphtalylthiazol_Phthalylsulfhathiazole_NSC-66454_Phthalylsulphathiazole_,,,,,,,,
CHEMBL1525826,J01ED02_,2,0.87,2,-0.62,0.23,5.91,1.98,280.31,6,7,2,3,19,ACID,280.31,280.063,0,0,107.2,0.8,N,4,TRUE,FALSE,FALSE,0,FALSE,0,COc1nccnc1NS(=O)(=O)c1ccc(N)cc1,Sulfamethoxypyrazine_Longum_NSC-110433_Sulfamethopyrazine_Kelfizine w_Kelfizina_Sulfametopyrazine_AS-18908_Sulfalene_,,,,,,,,
CHEMBL1528134,,2,3.42,3,1.81,3.66,None,9.26,345.87,4,4,0,0,23,BASE,309.41,309.1841,0,0,30.29,0.63,N,7,FALSE,FALSE,FALSE,0,FALSE,0,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,Benzidamine hydrochloride_AF-864_Difflam-p_Lozamine_Benzydamine hcl_NSC-759276_Benzydamine hydrochloride_Difflam_Tantum_,,,,,,,,
CHEMBL1528839,,2,0.24,1,-3.73,0.83,None,11.97,241.73,2,5,5,6,15,BASE,205.26,205.1327,1,0,97.78,0.36,N,3,FALSE,FALSE,FALSE,0,TRUE,0,Cl.N=C(N)NC(=N)NCCc1ccccc1,Debei_Phenformin hcl_Phenformin hydrochloride_Dibotin s.r._NSC-23100_,,,,,,,,
CHEMBL1530428,A01AC02_D07AB19_R01AD03_S01CB01_H02AB02_S01BA01_D10AA03_D07XB05_C05AA09_R01AD53_S02BA06_S03BA01_,1,2.47,0,2.12,2.12,12.44,None,434.5,6,6,2,2,31,NEUTRAL,434.5,434.2105,0,0,100.9,0.66,N,3,FALSE,TRUE,FALSE,1,FALSE,0,CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,Decadron_Dexamethasone acetate_NSC-39471_Dexamethasone acetate anhydrous_Dexamethasone 21-acetate_Dexamethasoni acetas_Fortecortin (crystal suspension)_Dexamethasone acetate monohydrate_Decadron-la_Dexamethasoni acetas monohydrate_Dectancyl_,,,,,,,,
CHEMBL1533310,L03AX14_,2,-0.09,1,-2.85,-0.7,None,9.58,184.07,2,3,2,3,8,BASE,111.15,111.0796,0,0,54.7,0.56,Y,2,FALSE,FALSE,FALSE,0,FALSE,1,Cl.Cl.NCCc1c[nH]cn1,Histamine dihydrocloride_Histamine dihydrochloride_NSC-257873_Peremin_Histaminum hydrochloricum_Histamine hydrochloride_Ceplene_,,,,,,,,
CHEMBL1534525,,1,5.27,3,2.75,5.16,12.54,9.82,568.56,5,6,1,1,36,BASE,495.64,495.2897,1,1,67.45,0.37,N,11,TRUE,FALSE,FALSE,0,TRUE,0,COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C.Cl.Cl,RO 40-5967/001_Mibefradil hydrochloride_Posicor_Mibefradil dihydrochloride_,,,,,,,,
CHEMBL1560089,C04AD02_,0,-2.28,2,-3.32,-1.85,None,8.86,434.45,9,9,2,2,22,BASE,311.34,311.1594,0,0,105.52,0.62,N,6,FALSE,FALSE,FALSE,0,FALSE,0,CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.O=C(O)c1cccnc1,Xanthinol nicotinate_Complamin ret_Complamin_Xantinol nicotinate_Xanthinol niacinate_NSC-113217_,,,,,,,,
CHEMBL1562610,,2,4.74,2,2.82,6.09,3.79,None,336.15,2,3,2,2,19,ACID,296.15,295.0167,0,0,49.33,0.86,N,3,TRUE,FALSE,FALSE,0,FALSE,1,Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.O.[Na+],Meclofenamate sodium hydrate_Sodium meclofenamate_Meclodium_Sodium meclofenamate monohydrate_Meclofenamate sodium_Meclomen_Meclofenamic acid sodium_Meclofenamate sodium anhydrous_CL-583.NA SALT_NSC-757088_,,,,,,,,
CHEMBL1565476,M01AX04_,0,2.06,1,0.96,2.47,5.49,4.3,300.36,4,6,0,0,22,ACID,300.36,300.1586,0,0,56.22,0.79,N,2,FALSE,FALSE,FALSE,0,FALSE,0,CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O,Apazone dihydrate_Azapropazone_Rheumox 600_Cinnopropazone_Azapropazone dihydrate_MI-85DI_MI-85_NSC-102824_Prolixan_AHR-3018_Apazone_Rheumox_,,,,,,,,