| num,name,p_np,smiles | |
| 5,cloxacillin,1,Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(O)=O | |
| 29,Org12692,1,FC(F)(F)c1c(Cl)nc(N2CCNCC2)cc1 | |
| 33,compound 40,1,c1ccc(C(NCCCOc2cc(CN3CCCCC3)ccc2)=O)cc1 | |
| 38,prochlorperazine,1,CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 | |
| 45,dextropropoxyphene,1,CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c2ccccc2 | |
| 55,Bacitracin,1,c1(c(cc(NC(CCC)=O)cc1)C(C)=O)OCC(CNC(C)C)O | |
| 78,cefuroxime,1,CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)COC(N)=O)/c3occc3 | |
| 111,oxazepam,1,OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O | |
| 148,Oxacillin,0,Cc1onc(c2ccccc2)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(O)=O | |
| 151,chloramphenicol,0,OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+]([O-])=O | |
| 154,Chlortetracycline,0,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O | |
| 164,pipamperone,1,NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3 | |
| 169,procyclidine,1,OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3 | |
| 170,promazine,1,CN(C)CCCN1c2ccccc2Sc3ccccc13 | |
| 172,Plicamycin,1,CO[C@@H]([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]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@](C)(O)[C@H](O)[C@@H](C)O8)[C@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)C(=O)[C@@H](O)[C@@H](C)O | |
| 188,Domperidone,0,Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1 | |
| 189,promethazine-HCl,1,CC(CN1c2ccccc2Sc3ccccc13)N(C)C | |
| 203,Bethanechol,0,[Cl-].CC(C[N+](C)(C)C)OC(N)=O | |
| 204,Bretyliumtosilate,0,CC[N+](C)(C)Cc1ccccc1Br.Cc2ccc(cc2)[S]([O-])(=O)=O | |
| 243,trifluperidol,1,OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3cccc(c3)C(F)(F)F | |
| 245,trifluroperazine,1,CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 | |
| 274,Itraconazole,0,CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4 | |
| 293,Metronidazole,1,Cc1ncc(n1CCO)[N+]([O-])=O | |
| 294,Mifepristone,0,CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c5ccc(cc5)N(C)C | |
| 371,Streptozotocin,0,CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O | |
| 398,scopolamine,0,CN1[C@@H]2CC(C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4 | |
| 408,4-hydroxymidazolam,1,Cc1ncc2C(O)N=C(c3ccccc3F)c4cc(Cl)ccc4n12 | |
| 413,Bromperidol,1,OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3 | |
| 429,valinomycin,0,CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)C(NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C | |
| 445,cp107,0,c1cn(CCCCO)c(CC)c(O)c1=O | |
| 447,zidovudine,0,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O | |
| 471,difloxacin,0,CN1CCN(CC1)c2cc3N(C=C(C(O)=O)C(=O)c3cc2F)c4ccc(F)cc4 | |
| 482,Hexobarbital,1,CN1C(=O)NC(=O)C(C)(C1=O)C2=CCCCC2 | |
| 487,Methylcyclopentane,1,CC1CCCC1 | |
| 488,Nor-1-chlorpromazine,1,N1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCNC | |
| 491,EMD60400,0,c1ccc([C@H](C[N@]2CC[C@H](C2)O)N(C(Cc2ccccc2N)=O)C)cc1 | |
| 492,enoxacin,0,CCN1C=C(C(O)=O)C(=O)c2cc(F)c(nc12)N3CCNCC3 | |
| 493,fleroxacin,0,CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(O)=O | |
| 495,GR88377,1,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](c2c(CC1)occ2)CN1CCCC1)=O | |
| 498,buclizine,1,CC(C)(C)c1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)cc1 | |
| 503,caffeine,1,Cn1cnc2N(C)C(=O)N(C)C(=O)c12 | |
| 512,Propanone,1,CC(C)=O | |
| 513,GR89696_et,1,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](CN(CC1)C(=O)OCC)CN1CCCC1)=O | |
| 515,GR91272,1,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](c2c(CC1)occ2)C[N@@]1C[C@@H](CC1)O)=O | |
| 516,GR94839,0,c1(ccc(c(c1)Cl)Cl)CC(=O)N1[C@H](CN(C(=O)C)CC1)C[N@@]1C[C@H](O)CC1 | |
| 517,GR94839_A,0,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)ccc(C(F)(F)F)cc1 | |
| 518,GR94839_B,0,c1(ccc(cc1)SC)CC(N1[C@H](CN(CC1)C(=O)C)C[N@]1CC[C@H](C1)O)=O | |
| 519,GR94839_C,0,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)cc(cc(c1)F)F | |
| 520,GR94839_D,0,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)cc(ccc1)OC | |
| 521,GR94839_E,0,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)ccc(N(=O)=O)cc1 | |
| 527,chlordiazepoxide,1,CN=C1CN(O)C(=C2C=C(Cl)C=CC2=N1)c3ccccc3 | |
| 531,choline,1,C[N+](C)(C)CCO | |
| 532,clobazam,1,CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13 | |
| 542,Triazolam,1,Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12 | |
| 543,GR94839_G,0,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)cc(ccc1)N(=O)=O | |
| 544,GR94839_H,0,c1(ccccc1)CC(N1[C@H](CN(CC1)C(=O)C)C[N@]1CC[C@H](C1)O)=O | |
| 545,GR94839_I,0,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)ccc([S@](=O)C)cc1 | |
| 550,Levallorphan,1,Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 | |
| 574,naltrexone,1,Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC6CC6 | |
| 575,norfloxacin,0,CCN1C=C(C(O)=O)C(=O)c2cc(F)c(cc12)N3CCNCC3 | |
| 595,Ebastine,0,CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 | |
| 599,salbutamol,0,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 | |
| 603,SB204459,0,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[N@@]2C[C@@H](CC2)O)c2n(CC1)ccn2)=O | |
| 604,SB204484,1,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](CN2CCCC2)c2n(CC1)ncn2)=O | |
| 605,SB205563,0,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](C[N@@]2C[C@@H](CC2)O)C[N@](CC1)CCO)=O | |
| 634,ethosuximide,1,CCC1(C)CC(=O)NC1=O | |
| 654,tamitinol,1,CCNCc1c(O)c(C)ncc1CSC | |
| 656,terfenadine,0,CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 | |
| 664,imipramine,1,CN(C)CCCN1c2ccccc2CCc3ccccc13 | |
| 671,28,1,C1CN(CCC1)Cc1cccc(c1)OCCCNc1nccs1 | |
| 675,BBcpd10,0,c1(nccc(c1)c1nc([nH]n1)N)N(C)C | |
| 698,methocarbamol,1,COc1ccccc1OCC(O)COC(N)=O | |
| 699,methopromazine,1,COc1ccc2Sc3ccccc3N(CCCN(C)C)c2c1 | |
| 703,methyprylon,1,CCC1(CC)C(=O)NCC(C)C1=O | |
| 709,Demeclocycline,0,CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=C3C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O)O | |
| 710,Desmethylclobazam,1,Clc1ccc2NC(=O)CC(=O)N(c3ccccc3)c2c1 | |
| 711,Desmonomethylpromazine,1,CNCCCN1c2ccccc2Sc3ccccc13 | |
| 740,apramycin,0,CN[C@H]1[C@@H](O)[C@H]2O[C@@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O | |
| 745,bacmecillinam,0,CCOC(=O)OC(C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N=CN3CCCCCC3)C2=O | |
| 749,berythromycin,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C | |
| 759,cefaloram,0,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3ccccc3)C2=O)C(O)=O | |
| 761,cefatrizine,0,NC(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3cn[nH]n3)c4ccc(O)cc4 | |
| 763,cefazedone,0,Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CN4C=C(Cl)C(=O)C(=C4)Cl)C3=O)C(O)=O)nn1 | |
| 772,cefetrizole,0,OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4 | |
| 775,cefmenoxime,0,CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3nnnn3C)/c4csc(N)n4 | |
| 776,cefmetazole,0,CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3nnnn3C | |
| 804,cephalothin,0,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3sccc3)C2=O)C(O)=O | |
| 815,detorubicin,0,CCOC(OCC)C(=O)OCC(=O)C1(O)CC(OC2CC(N)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1 | |
| 818,dihydrostreptomycin,0,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O[C@@H](C)[C@]2(O)CO)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3N=C(N)N | |
| 831,etilefrine,0,CCNCC(O)c1cccc(O)c1 | |
| 842,fusidic-acid,0,C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O | |
| 847,guamecycline,0,CN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)\C(=C(/O)NCN5CCN(CC5)C(=N)N=C(N)N)C1=O | |
| 853,imipenem,0,O.C[C@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(O)=O)SCCN=CN | |
| 873,mezlocillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)[S](C)(=O)=O)c4ccccc4)C(=O)N2[C@H]1C(O)=O | |
| 882,nicardipine,0,COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OCCN(C)Cc3ccccc3)C | |
| 883,nifedipine,0,COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+]([O-])=O)C(=O)OC)C | |
| 885,nitrocycline,0,CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=C3C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O)O)[N+]([O-])=O | |
| 897,pirarubicin,0,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO | |
| 906,propicillin,0,CCC(Oc1ccccc1)C(=O)NC2C3SC(C)(C)C(N3C2=O)C(O)=O | |
| 921,sanfetrinem,0,COC1CCCC2C3C(C(C)O)C(=O)N3C(=C12)C([O-])=O | |
| 922,sarmoxicillin,0,COCOC(=O)C1N2C(SC1(C)C)C(N3C(=O)C(NC3(C)C)c4ccc(O)cc4)C2=O | |
| 930,suncillin,0,[Na+].[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[S]([O-])(=O)=O)c3ccccc3)C(=O)N2[C@H]1C([O-])=O | |
| 939,tobicillin,0,CC(C)C(=O)OCc1cccc(OC(=O)[C@@H]2N3[C@H](SC2(C)C)[C@H](NC(=O)Cc4ccccc4)C3=O)c1 | |
| 964,acevaltrate,1,[C@]12(OC1)[C@@H]3C(=C[C@@H]2OC(=O)CC(OC(=O)C)(C)C)C(=CO[C@H]3OC(=O)CC(C)C)COC(=O)C | |
| 966,acyclovir/aciclovir,1,C1=NC2=C([N]1COCCO)NC(=NC2=O)N | |
| 973,alfaxalone/renanolone,1,[C@@H]23[C@H]([C@H]1[C@]([C@@H](C(C)=O)CC1)(C)CC2=O)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C | |
| 979,alnespirone,1,[H+].C4=C3OCC(N(CCCCN1C(=O)CC2(CC1=O)CCCC2)CCC)CC3=C(OC)C=C4.[Cl-] | |
| 986,alrestatin,1,C1=CC=C3C2=C1C(N(CC(O)=O)C(C2=CC=C3)=O)=O | |
| 992,amesergide,1,[C@H]4(CC3C2=C1C(=C[N](C1=CC=C2)C(C)C)CC3N(C4)C)C(NC5CCCCC5)=O | |
| 1016,azabuperone,1,C1=CC(=CC=C1C(CCCN2CC3N(CC2)CCC3)=O)F | |
| 1029,bemegride,1,C(C1(CC(NC(C1)=O)=O)C)C | |
| 1038,bervastatin,1,[C@H](O)(/C=C/C1=C(C3=C(OC12CCCC2)C=CC=C3)C4=CC=C(F)C=C4)C[C@H](O)CC(OCC)=O | |
| 1103,clobetasone-butyrate,1,[C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)C(C3)=O)C[C@@H]4C)C)(OC(CCC)=O)C(CCl)=O | |
| 1120,clotixamide(clotixamide),1,CNC(=O)CCN1CCN(CCC=C2c3ccccc3Sc3ccc(cc23)Cl)CC1 | |
| 1135,cyclobenzaprine,1,C1=CC=CC2=C1C(C3=C(C=C2)C=CC=C3)=CCCN(C)C | |
| 1142,cyproximide(ciproximide),1,C1=CC(=CC=C1C23C(C(=O)NC2=O)C3)Cl | |
| 1143,dacemazine,1,C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)C(CN(C)C)=O | |
| 1151,descinolone(descinolone-acetonide),1,[C@H]34[C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@H](O)C4)C(=O)C)C | |
| 1154,detomidine,1,C2=C(CC1=CN=C[NH]1)C(=C(C=C2)C)C | |
| 1164,difebarbamate,1,C2=C(C1(C(N(C(=O)N(C1=O)CC(COCCCC)OC(N)=O)CC(COCCCC)OC(N)=O)=O)CC)C=CC=C2 | |
| 1188,efetozole,1,C1=CC=CC=C1C(C)[N]2C=CN=C2C | |
| 1195,encyprate,1,C1=CC=CC=C1CN(C2CC2)C(OCC)=O | |
| 1239,florfenicol,1,[C@@H](C1=CC=C(C=C1)[S](C)(=O)=O)([C@H](NC(C(Cl)Cl)=O)CF)O | |
| 1243,flubepride,1,C1=C(C(=CC=C1[S](N)(=O)=O)OC)C(NCC3N(CC2=CC=C(F)C=C2)CCC3)=O | |
| 1247,flumezapine,1,C1=C(F)C=CC2=C1NC(=C3C(=N2)SC(=C3)C)N4CCN(CC4)C | |
| 1248,flumoxonide,1,[C@]12(OC(O[C@@H]1CC3C2(CC(O)[C@@]4(F)C3C[C@H](F)C5=CC(=O)C=CC45C)C)(C)C)C(=O)C(OC)OC | |
| 1253,fluorometholone-acetate,1,[C@]23([C@H]([C@H]1[C@]([C@@](OC(C)=O)(C(C)=O)CC1)(C)C[C@@H]2O)C[C@H](C)C4=CC(=O)C=C[C@]34C)F | |
| 1269,fluzinamide,1,C2=C(OC1CN(C(NC)=O)C1)C=CC=C2C(F)(F)F | |
| 1277,ftorpropazine,1,C1=C(C(F)(F)F)C=CC3=C1N(C2=C(C=CC=C2)S3)C(CCN4CCN(CCO)CC4)=O | |
| 1283,gemazocine,1,C1=C(O)C=CC4=C1C3(C(C(N(CC2CC2)CC3)C4)(C)C)CC | |
| 1286,girisopam,1,C1=C(OC)C(=CC2=C1C(=NN=C(C2)C)C3=CC=CC(=C3)Cl)OC | |
| 1300,hydrocortisone-hemisuccinate,1,[C@@]4(OC(=O)CCCC)(C3(C(C2C(C1(C(=CC(=O)CC1)CC2)C)C(O)C3)CC4)C)C(=O)CO | |
| 1306,ifoxetine,1,[C@@H]2(OC1=C(C(=CC=C1)C)C)[C@@H](CNCC2)O | |
| 1321,isoflupredone-acetate,1,[C@H]23[C@@]([C@@]1(C(=CC(=O)C=C1)CC2)C)([C@H](C[C@]4([C@H]3CC[C@@]4(C(COC(C)=O)=O)O)C)O)F | |
| 1322,itrocinonide,1,[C@]34([C@H]([C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C3)C[C@H]5O[C@H](O[C@@]45C(O[C@@H](OC(OCC)=O)C)=O)CCC)C | |
| 1345,loxapine,1,C1=C(Cl)C=CC2=C1C(=NC3=C(O2)C=CC=C3)N4CCN(CC4)C | |
| 1370,methylprednisolone21hemisuccinate(methylprednisolone-hemisuccinate),1,[C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)C)C)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CC)=O | |
| 1374,metopon,1,[C@@]125C3=C4C[C@H]([C@@H]1CCC([C@@]2(OC3=C(C=C4)O)C)=O)N(C)CC5 | |
| 1390,mometasone(mometasone-furoate),1,[C@H]34[C@H]2[C@@](Cl)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@@H](C4)C)C(=O)CCl)C | |
| 1391,monometacrine,1,C1=CC=CC3=C1N(C2=C(C=CC=C2)C3(C)C)CCCNC | |
| 1395,moxadolen,1,[C@@H]13C=C[C@@H]([C@@]2([C@H]1[C@H](OC2=O)OC(NC)=O)C)C3 | |
| 1410,neflumozide,1,Fc5ccc4c(CCCN1CCC(CC1)n2c(=O)[nH]c3ccccc23)noc4c5 | |
| 1414,nicomorphine,1,[C@@]127C3=C4C[C@H]([C@@H]1C=C[C@@H]([C@@H]2OC3=C(C=C4)OC(C5=CN=CC=C5)=O)OC(C6=CN=CC=C6)=O)N(C)CC7 | |
| 1439,oxcarbazepine,1,C1=CC=CC3=C1N(C2=C(C=CC=C2)CC3=O)C(N)=O | |
| 1441,oxiracetam,1,C(N1CC(O)CC1=O)C(N)=O | |
| 1442,oxisopred,1,[C@H]34C1[C@@H](C2(C(C(=O)CC1)C(=O)C=C2)C)C(O)CC3([C@](O)(CC4)C(OC)=O)C | |
| 1460,perafensine,1,C2=C1C(=NC(=CC1=CC=C2)N3CCNCC3)C4=CC=CC=C4 | |
| 1513,proxyphylline,1,C1=NC2=C([N]1CC(C)O)C(N(C)C(N2C)=O)=O | |
| 1516,pyritinol,1,C1=C(C(=C(C(=N1)C)O)CO)CSSCC2=CN=C(C(=C2CO)O)C | |
| 1535,rofelodine,1,C3=C(C2CN1C(CCN=C1C2)=O)C=CC=C3 | |
| 1588,taniplon,1,C2=C(C1=NOC(=N1)C)N=C3[N]2C4=C(C(=N3)OC)CCCC4 | |
| 1600,thebacon,1,C1=CC(=C4C2=C1CC5C3C2(C(C(=CC3)OC(C)=O)O4)CCN5C)OC | |
| 1633,tracazolate,1,C1=N[N](C2=C1C(=C(C(=N2)C)C(OCC)=O)NCCCC)CC | |
| 1637,trefentanil,1,[H+].C4=C(C2(N(C1=C(F)C=CC=C1)C(=O)CC)CCN(CC2)CCN3N=NN(C3=O)CC)C=CC=C4.[Cl-] | |
| 1641,tricetamide,1,C1=C(C(=C(C=C1C(NCC(N(CC)CC)=O)=O)OC)OC)OC | |
| 1643,triclofos,1,O=[P](O)(OCC(Cl)(Cl)Cl)O | |
| 1647,trocimine,1,C2=C(C(N1CCCCCCC1)=O)C=C(OC)C(=C2OC)OC | |
| 1673,zoloperone,1,C4=C(C3=C(CCN2CCN(C1=C(C=CC=C1)OC)CC2)OC(N3)=O)C=CC(=C4)F | |
| 1677,zylofuramine,1,[C@@H]1(CCCO1)[C@@H](CC2=CC=CC=C2)NCC | |
| 1679,adinazolam,1,C1=CC(=CC3=C1[N]2C(=NN=C2CN(C)C)CN=C3C4=CC=CC=C4)Cl | |
| 1683,algestone,1,[C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@](O)([C@H](O)C4)C(=O)C)C | |
| 1692,aminoglutethimide,1,C1=CC(=CC=C1C2(C(NC(=O)CC2)=O)CC)N | |
| 1695,amoxapine,1,C1=C(Cl)C=CC2=C1C(=NC3=C(O2)C=CC=C3)N4CCNCC4 | |
| 1709,benzoctamine,1,C1=CC=C2C(=C1)C3C4=C(C2(CNC)CC3)C=CC=C4 | |
| 1724,bromperidol-decanoate,1,C1=CC(=CC=C1C3(CCN(CCCC(C2=CC=C(C=C2)F)=O)CC3)OC(CCCCCCCCC)=O)Br | |
| 1735,carfentanil,1,C1=CC=CC=C1N(C3(CCN(CCC2=CC=CC=C2)CC3)C(OC)=O)C(CC)=O | |
| 1748,ciclopramine,1,C4=C2C1=C(CCC3=C(N1CCC2NC)C=CC=C3)C=C4 | |
| 1755,cintriamide(cintramide),1,C1=C(C(=C(C=C1\C=C\C(N)=O)OC)OC)OC | |
| 1764,clofexamide,1,C1=CC(=CC=C1OCC(NCCN(CC)CC)=O)Cl | |
| 1766,clopipazan,1,CN1CCC(CC1)=C3c2ccccc2Oc4ccc(Cl)cc34 | |
| 1772,cropropamide,1,C(C(N(C(\C=C\C)=O)CCC)C(N(C)C)=O)C | |
| 1773,cyamemazine,1,C1=C(C#N)C=CC3=C1N(C2=C(C=CC=C2)S3)CC(CN(C)C)C | |
| 1802,diclofensine,1,C1=CC(=CC3=C1C(C2=CC(=C(Cl)C=C2)Cl)CN(C)C3)OC | |
| 1807,dimemorfan,1,[C@]134[C@@H]([C@H](CC2=C1C=C(C)C=C2)N(C)CC3)CCCC4 | |
| 1809,dimesone,1,[C@]23([C@H]([C@H]1[C@]([C@](C(CO)=O)(C)[C@@H](C1)C)(C)C[C@@H]2O)CCC4=CC(=O)C=C[C@]34C)F | |
| 1814,doxefazepam,1,C1=C(Cl)C=CC2=C1C(=NC(O)C(N2CCO)=O)C3=CC=CC=C3F | |
| 1827,etrabamine,1,C2=NC1=C(CC(NC)CC1)S2 | |
| 1838,flumethasone21pivalate(flumetasone-pivalate),1,[C@]12(F)[C@H](CC4([C@H](C1C[C@@H](C3=CC(=O)C=CC23C)F)C[C@H]([C@]4(O)C(=O)COC(=O)C(C)(C)C)C)C)O | |
| 1839,flunisolide,1,[C@]14(C([C@H]3[C@H]([C@@H](O)C1)C2(C(=CC(=O)C=C2)[C@@H](F)C3)C)C[C@H]5OC(O[C@@]45C(=O)CO)(C)C)C.[C@]69(C([C@H]8[C@H]([C@@H](O)C6)C7(C(=CC(=O)C=C7)[C@@H](F)C8)C)C[C@H]%10OC(O[C@@]9%10C(=O)CO)(C)C)C.O | |
| 1841,fluocinolone,1,[C@H]2(C1=CC(=O)C=C[C@@]1([C@@]4([C@@H](C2)[C@@H]3C[C@@H](O)[C@]([C@@]3(C)C[C@@H]4O)(O)C(=O)CO)F)C)F | |
| 1851,fluradoline,1,C1=C(F)C=CC3=C1C=C(SCCNC)C2=CC=CC=C2O3 | |
| 1853,fluspiperone,1,C1=CC(=CC=C1N2C4(C(NC2)=O)CCN(CCCC(C3=CC=C(F)C=C3)=O)CC4)F | |
| 1854,flutoprazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(N2CC3CC3)=O)C4=CC=CC=C4F | |
| 1871,iminophenimide,1,C2=C(C1(C(NC(=O)CN1)=O)CC)C=CC=C2 | |
| 1877,isoprednidene,1,[C@@]4(O)(C3(C(C2C(C1(C(=CC(=O)CC1)C=C2)C)C(O)C3)CC4=C)C)C(=O)CO | |
| 1881,levodopa,1,[C@H](CC1=CC(=C(C=C1)O)O)(C(O)=O)N | |
| 1886,lobeline,1,C3=C(C(CC2N(C(CC(C1=CC=CC=C1)=O)CCC2)C)O)C=CC=C3 | |
| 1890,losindole,1,[C@@H]1([C@H]3[C@@H](CC2=C1C=C(Cl)C=C2)CN(C3)C)C4=CC=CC=C4 | |
| 1907,methastyridone,1,C1=CC=CC=C1/C=C/C2C(NC(O2)(C)C)=O | |
| 1926,napitane,1,C5CC(CN1CCC(C1)c2ccccc2)c4ccc3OCOc3c4C5 | |
| 1928,nealbarbital,1,C(C1(C(NC(=O)NC1=O)=O)CC=C)C(C)(C)C | |
| 1942,oxazolam,1,[C@@]12(C3=C(NC(CN1C[C@H](O2)C)=O)C=CC(=C3)Cl)C4=CC=CC=C4 | |
| 1943,oxilorphan,1,[C@]235[C@]([C@H](N(CC1CC1)CC2)CC4=C3C=C(O)C=C4)(CCCC5)O | |
| 1950,parapropamol,1,C1=C(NC(CC)=O)C=CC(=C1)O | |
| 1976,prideperone,1,C1=C(C(=CC=C1C#N)OC)C(NCCN3CCC(C(C2=CC=C(F)C=C2)=O)CC3)=O | |
| 1978,profexalone,1,C1=CC=CC=C1C2CN(C(NCCC)=O)C(O2)=O | |
| 1983,pyrithyldione,1,C(C1(C(C=CNC1=O)=O)CC)C | |
| 1987,razobazam,1,C3=C(N2C1=C([NH]N=C1N(C(=O)CC2=O)C)C)C=CC=C3 | |
| 1989,remoxipride,1,[C@H]2(CNC(C1=C(C=CC(=C1OC)Br)OC)=O)N(CCC2)CC | |
| 1996,ropizine,1,C4=C(C(N2CCN(\N=C\C1=NC(=CC=C1)C)CC2)C3=CC=CC=C3)C=CC=C4 | |
| 2024,trepipam(trimopam),1,[C@H]2(C1=CC(=C(OC)C=C1CCN(C2)C)OC)C3=CC=CC=C3 | |
| 2026,triamcinolone-diacetate,1,[C@]34([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]([C@@]4(C(COC(C)=O)=O)O)OC(C)=O)C | |
| 2028,triclacetamol,1,C1=C(NC(C(Cl)(Cl)Cl)=O)C=CC(=C1)O | |
| 2029,triflubazam,1,C1=C(C(F)(F)F)C=CC3=C1N(C2=CC=CC=C2)C(CC(N3C)=O)=O | |
| 2041,vinylbital,1,C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC | |