| num,name,p_np,smiles | |
| 13,18,1,C(Cl)Cl | |
| 23,SKF-93619,0,c1cc2c(cc(CC3=CNC(=NC3=O)NCCSCc3oc(cc3)CN(C)C)cc2)cc1 | |
| 36,etomidate,1,CCOC(=O)c1cncn1C(C)c2ccccc2 | |
| 37,11a,0,CN(C)c1cc(C2=NC(N)=NN2)ccn1 | |
| 79,compound 45,1,N1(Cc2cc(OCCCNc3oc4ccccc4n3)ccc2)CCCCC1 | |
| 81,compound 32,1,[O-][N+](C1=CC=NC1NCCSCc2ccccn2)=O | |
| 89,compound 42,1,N1(Cc2cccc(OCCCNc3ccccn3)c2)CCCCC1 | |
| 102,acetylsalicylate,0,CC(=O)Oc1ccccc1C(O)=O | |
| 106,Amiodarone,0,CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3 | |
| 107,amoxicillin,0,O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O | |
| 130,Betamethasone,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 | |
| 133,carteolol,0,CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 | |
| 138,perlapine,1,CN1CCN(CC1)C2=Nc3ccccc3Cc4ccccc24 | |
| 149,Pentostatin,1,OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3[C@H](O)CN=CNc23 | |
| 166,pregnanolone,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 | |
| 182,Dehydrocholic acid,0,C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O | |
| 187,Digoxin,0,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 | |
| 191,propofol,1,CC(C)c1cccc(C(C)C)c1O | |
| 214,epinephrine,0,CNC[C@H](O)c1ccc(O)c(O)c1 | |
| 215,erythromycin,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]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | |
| 221,thebaine,1,COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45 | |
| 222,thiethylperazine,1,CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1 | |
| 227,Busulfan,1,C[S](=O)(=O)OCCCCO[S](C)(=O)=O | |
| 234,Ethacrynic acid,0,CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl | |
| 244,triflupromazine,1,CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F | |
| 257,Hydroxycarbamide,1,NC(=O)NO | |
| 262,hydralazine,0,NNc1nncc2ccccc12 | |
| 264,Hydrocortisone,0,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23 | |
| 302,melphalan,0,NC(Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O | |
| 305,mequitazine,0,C1CN2CCC1C(C2)CN3c4ccccc4Sc5ccccc35 | |
| 308,methotrexate,0,CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O | |
| 316,Ritonavir,0,CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3scnc3)Cc4ccccc4 | |
| 321,Stavudine,1,CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O | |
| 327,nandrolone,0,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O | |
| 338,Org30526,1,c1c2c(cc(c1)Cl)[C@@H]1[C@H](c3ccccc3O2)CNC1 | |
| 340,Org34167,1,c1ccc(c(c1)[C@H](CC=C)N)c1c2c(on1)cccc2 | |
| 342,Org5222,1,c1c2c(cc(c1)Cl)[C@@H]1[C@H](c3ccccc3O2)CN(C1)C | |
| 353,papaverine,0,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | |
| 364,Temelastine,0,Cc1ccc(CC2=CN=C(NCCCCc3ncc(Br)cc3C)NC2=O)cn1 | |
| 374,Vancomycin,0,CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@@H](NC6=O)C(O)=O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2 | |
| 379,progesterone,0,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | |
| 381,proscillaridin,0,CC1OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)C(O)C(O)C1O | |
| 394,Mono-hydroxylated-L-663581,0,c12c(C(N(Cc3n1cnc3c1noc(n1)C(O)(C)C)C)=O)c(ccc2)Cl | |
| 427,Triamterene,0,Nc1nc(N)c2nc(c3ccccc3)c(N)nc2n1 | |
| 442,cetirizine,0,OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 | |
| 448,acepromazine,1,CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O | |
| 451,allobarbital,1,C=CCC1(CC=C)C(=O)NC(=O)NC1=O | |
| 472,antipyrine,1,CN1N(C(=O)C=C1C)c2ccccc2 | |
| 497,bromazepam,1,Brc1ccc2NC(=O)CN=C(c3ccccn3)c2c1 | |
| 505,capuride,1,CCC(C)C(CC)C(=O)NC(N)=O | |
| 522,GR94839_F,0,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)ccc(OC)cc1 | |
| 526,chloralhydrate,1,OC(O)C(Cl)(Cl)Cl | |
| 536,Salicyluricacid,1,OC(=O)CNC(=O)c1ccccc1O | |
| 549,isoxicam,0,CN1C(=C(\O)Nc2cc(C)on2)/C(=O)c3ccccc3[S]1(=O)=O | |
| 585,diphenhylhydantoin,1,O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 | |
| 607,doxylamine succinate,1,CN(C)CCOC(C)(c1ccccc1)c2ccccn2.OC(=O)CCC(O)=O | |
| 620,5-69,1,c1nc(C2CCN(CC2)C(NC2CCCCC2)=S)c[nH]1 | |
| 622,7-K08,1,c1c(Cl)nc(N2CCN(CCCCN3C(CCC3)=O)CC2)cc1C(F)(F)F | |
| 630,skb-g,0,c1cc2c(c(OCCNC(Cc3ncccc3)=O)c(c3ccccc3)nc2cc1)C(N[C@@H](CC)c1ccccc1)=O | |
| 632,skb-i,0,c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(nc2cc1)c1ccccc1)Cn1cncc1 | |
| 636,flupentixol,1,OCCN1CCN(CC\C=C/2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 | |
| 639,glaziovine,1,COc1cc2CCN(C)C3CC4(C=CC(=O)C=C4)c(c1O)c23 | |
| 644,12,0,c1c(c(ncc1)CSCCN\C(=[NH]\C#N)NCC)Br | |
| 645,14,1,c1cc(ncc1)CSCCNc1c(cc[nH]1)[N+](=O)[O-] | |
| 651,2,1,s1cc(nc1\[NH]=C(\N)N)C | |
| 677,lenperone,1,Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)C(=O)c3ccc(F)cc3 | |
| 683,mecloqualone,1,CC1=Nc2ccccc2C(=O)N1c3ccccc3Cl | |
| 691,Aciclovir,1,NC1=NC(=O)c2ncn(COCCO)c2N1 | |
| 694,mescaline,1,COc1cc(CCN)cc(OC)c1OC | |
| 722,orphenadrine,1,CN(C)CCOC(c1ccccc1)c2ccccc2C | |
| 723,Dextromethorphan,1,COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 | |
| 739,apicycline,0,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(/O)NC(N5CCN(CCO)CC5)C(O)=O)C1=O | |
| 741,arbekacin,0,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O | |
| 748,bepridil,0,CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3 | |
| 764,cefcanel,0,Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(O)=O)nn1 | |
| 777,cefminox,0,CO[C@]1(NC(=O)CSC[C@@H](N)C(O)=O)[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3nnnn3C | |
| 780,ceforanide,0,NCc1ccccc1CC(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(O)=O)CSc4nnnn4CC(O)=O | |
| 782,cefotiam,0,CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(O)=O | |
| 787,cefrotil,0,CC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3ccc(cc3)C4=NCCCN4)C2=O)C(O)=O | |
| 790,cefteram,0,CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)Cn3nnc(C)n3)/c4csc(N)n4 | |
| 805,cetocycline,0,CC(=O)C1=C(O)[C@]2(O)[C@@H](Cc3c(C)c4ccc(C)c(O)c4c(O)c3C2=O)[C@@H](N)C1=O | |
| 806,clarithromycin,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]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC | |
| 807,clindamycin,0,CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O | |
| 808,clindamycin-phosphate,0,CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]2O[C@H](SC)[C@H](O[P](O)(O)=O)[C@@H](O)[C@H]2O | |
| 817,dicloxacillin,0,Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4c(Cl)cccc4Cl | |
| 820,dipivefrin,0,CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 | |
| 821,diproleandomycin,0,CCC(=O)O[C@H]1[C@@H](C)[C@@H](C)OC(=O)C(C)[C@@H](O[C@H]2C[C@H](OC)[C@@H](OC(=O)CC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)C(C)C[C@@]4(CO4)C(=O)[C@@H]1C | |
| 824,docetaxel,0,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C | |
| 832,felodipine,0,CCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C | |
| 837,flomoxef,0,[Na].CO[C@]1(NC(=O)CSC(F)(F)F)[C@H]2OCC(=C(N2C1=O)C(O)=O)CSc3nnnn3CCO | |
| 845,gramicidin-s-2,0,CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CC5=CC=CC=C5 | |
| 854,isepamicin,0,CNC1C(O)C(OCC1(C)O)OC2C(O)C(OC3OC(CN)C(O)C(O)C3O)C(N)CC2NC(=O)C(O)CN | |
| 855,isopropicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(C)(C)Oc3ccccc3)C(=O)N2[C@H]1C(O)=O | |
| 860,lexithromycin,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(=N/OC)[C@H](C)[C@@H](O)[C@]1(C)O | |
| 862,loracarbef,0,O.N[C@@H](C(=O)NC1C2CCC(=C(N2C1=O)C(O)=O)Cl)c3ccccc3 | |
| 868,meropenem,0,O.O.O.C[C@H](O)C1C2[C@@H](C)C(=C(N2C1=O)C(O)=O)S[C@@H]3CN[C@@H](C3)C(=O)N(C)C | |
| 874,mibefradil,0,COCC(=O)O[C@]1(CCN(C)CCCc2[nH]c3ccccc3n2)CCc4cc(F)ccc4[C@@H]1C(C)C | |
| 876,mikamycin,0,CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C3CC(=O)CCN3C(=O)C(Cc4ccc(cc4)N(C)C)N(C)C(=O)C5CCCN5C1=O)c6ccccc6 | |
| 877,mirincamycin,0,CCCCCC1CNC(C1)C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O | |
| 886,novobiocin,0,CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3C(=O)C(=C(O)Oc3c2C)NC(=O)c4ccc(O)c(CC=C(C)C)c4)OC1(C)C | |
| 891,pecocycline,0,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(/O)NCN5CCCC(C5)C(O)=O)C1=O | |
| 892,penamecillin,0,CC(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)Cc3ccccc3)C2=O | |
| 893,penicillin,0,[Na].CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(O)=O | |
| 894,penimocycline,0,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(/O)NCNC(C(=O)NC5C6SC(C)(C)C(N6C5=O)C(O)=O)c7ccccc7)C1=O | |
| 900,piroxicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)NC3=CN=C(NC3=O)Nc4ccc(cc4)[S](N)(=O)=O)c5ccc(O)cc5)C(=O)N2[C@H]1C(O)=O | |
| 905,propafenone,0,CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2 | |
| 926,spiramycin,0,COC1C(O)CC(=O)OC(C)C\C=C\C=C\C(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C | |
| 929,sultamicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O.CC4(C)[C@@H](N5[C@@H](CC5=O)[S]4(=O)=O)C(O)=O | |
| 936,theodrenaline,0,CN1C(=O)N(C)c2ncn(CCNCC(O)c3ccc(O)c(O)c3)c2C1=O | |
| 941,tolcapone,0,Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O | |
| 951,fenetylline,1,[H+].C1=NC3=C([N]1CCNC(CC2=CC=CC=C2)C)C(=O)N(C(=O)N3C)C.[Cl-] | |
| 954,acecarbromal,1,C(C(C(NC(NC(C)=O)=O)=O)(CC)Br)C | |
| 970,alclometasone-dipropionate,1,[C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)C[C@H]2Cl)C)[C@H](C3)O)C[C@H]4C)C)(C(COC(CC)=O)=O)OC(CC)=O | |
| 977,allomethadione,1,C(N1C(C(C)OC1=O)=O)C=C | |
| 1001,amylene-hydrate,1,C(C(C)(C)O)C | |
| 1011,atromepine,1,C1=CC=CC=C1C(C(OC2CC3N(C)C(C2)CC3)=O)(CO)C | |
| 1013,avizafone,1,[C@@H](C(NCC(N(C1=CC=C(C=C1C(C2=CC=CC=C2)=O)Cl)C)=O)=O)(CCCCN)N | |
| 1014,axamozide,1,C1=CC(=CC5=C1N(C4CCN(CC3OC2=C(C=CC=C2)OC3)CC4)C(N5)=O)Cl | |
| 1057,butaclamol,1,[C@]1(O)(C[C@@H]4N(CC1)C[C@@H]2C5=C(CCC3=CC=CC=C23)C=CC=C45)C(C)(C)C.[H+].[Cl-] | |
| 1070,carmantadine,1,O=C(C4N(C12CC3CC(C1)CC(C2)C3)CC4)O | |
| 1072,carperone,1,C2=C(C(CCCN1CCC(OC(NC(C)C)=O)CC1)=O)C=CC(=C2)F | |
| 1075,cathinone,1,[C@@H](C(C1=CC=CC=C1)=O)(C)N | |
| 1081,cetotiamine,1,C1=C(CN(C(=C(SC(OCC)=O)/CCOC(OCC)=O)/C)C=O)C(=NC(=N1)C)N | |
| 1083,chlorhexadol/chloralodol,1,C(C(OC(C(Cl)(Cl)Cl)O)C)C(C)(C)O | |
| 1085,chloroform,1,C(Cl)(Cl)Cl | |
| 1093,cimepanol,1,CC(C(C1CCCCC1)O)C | |
| 1097,ciprazafone,1,C1=C(Cl)C=CC(=C1C(C2=C(C=CC=C2)Cl)=O)N(C(CNC3CC3)=O)C | |
| 1116,cloroperone,1,C3=C(C(C2CCN(CCCC(C1=CC=C(F)C=C1)=O)CC2)=O)C=CC(=C3)Cl | |
| 1145,decimemide,1,C1=C(C(N)=O)C=C(C(=C1OC)OCCCCCCCCCC)OC | |
| 1172,dimiracetam,1,O=C2N1C(NC(=O)C1)CC2 | |
| 1175,diprenorphine,1,[C@]235[C@@]67[C@H](N(CC1CC1)CC2)CC4=C3C(=C(C=C4)O)O[C@H]5[C@](OC)([C@H](C6)C(C)(C)O)CC7 | |
| 1181,doxapram,1,C1=CC=CC=C1C2(C(CN(C2=O)CC)CCN3CCOCC3)C4=CC=CC=C4 | |
| 1185,dupracetam,1,C(N1C(CCC1)=O)C(NNC(CN2C(CCC2)=O)=O)=O | |
| 1219,fantridone,1,C1=CC=CC2=C1C3=C(C(=O)N2CCCN(C)C)C=CC=C3 | |
| 1255,fluoxetine,1,C2=C(C(OC1=CC=C(C=C1)C(F)(F)F)CCNC)C=CC=C2 | |
| 1257,flupimazine,1,C1=CC=CC3=C1N(CCCN2CCC(OCCO)CC2)C4=C(S3)C=CC(=C4)C(F)(F)F | |
| 1259,fluspirilene,1,C1=CC=CC=C1N2C5(C(NC2)=O)CCN(CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC5 | |
| 1288,halocortolone,1,[C@H]23C(Cl)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](F)C[C@]4([C@H]3C[C@H]([C@@H]4C(=O)CO)C)C | |
| 1291,halopredone(halopredone-acetate),1,[C@]34([C@H]([C@H]2C([C@@]1(C(=CC(C(=C1)Br)=O)[C@@H](C2)F)C)([C@H](C3)O)F)CCC4(C(=O)CO)O)C | |
| 1328,levophenacylmorphan,1,C5=C(C(CN1C2C4C(CC1)(C3=C(C2)C=CC(=C3)O)CCCC4)=O)C=CC=C5 | |
| 1334,lofepramine,1,[H+].C1=CC=CC2=C1N(C3=C(CC2)C=CC=C3)CCCN(CC(=O)C4=CC=C(Cl)C=C4)C.[Cl-] | |
| 1335,lometraline,1,C1=C(C2=C(C(=C1)OC)CCCC2N(C)C)Cl | |
| 1357,melperone,1,C1=CC(=CC=C1C(CCCN2CCC(C)CC2)=O)F | |
| 1378,mevastatin,1,[C@@H]23[C@@H](CC[C@@H]1C[C@H](CC(O1)=O)O)[C@H](C=CC2=CCC[C@@H]3OC([C@H](CC)C)=O)C | |
| 1404,nalmexone,1,[C@@]125C3=C4C[C@H]([C@@]1(CCC([C@@H]2OC3=C(C=C4)O)=O)O)N(CC=C(C)C)CC5 | |
| 1406,napamezole,1,C1=C2C(=CC=C1)CCC(=C2)CC3=NCNC3 | |
| 1408,nefazodone,1,[H+].C4=C(N3CCN(CCCN1N=C(N(C1=O)CCOC2=CC=CC=C2)CC)CC3)C=CC=C4Cl.[Cl-] | |
| 1426,norflurane,1,C(C(F)(F)F)F | |
| 1461,perospirone,1,[C@@H]45C(N(CCCCN3CCN(C1=NSC2=C1C=CC=C2)CC3)C([C@@H]4CCCC5)=O)=O | |
| 1464,phenacemide,1,C1=CC=CC=C1CC(NC(N)=O)=O | |
| 1477,piperacetazine,1,C1=C(C(C)=O)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCC(CCO)CC4 | |
| 1484,piriqualone,1,C1=CC=CC(=C1N2C(=NC3=C(C2=O)C=CC=C3)\C=C\C4=NC=CC=C4)C | |
| 1503,prolintane,1,C1=CC=CC=C1CC(N2CCCC2)CCC | |
| 1519,quinagolide,1,C1=CC=C(C2=C1CC3C(C2)CC(N[S](N(CC)CC)(=O)=O)CN3CCC)O | |
| 1526,retigabine,1,C1=CC(=CC(=C1NC(OCC)=O)N)NCC2=CC=C(C=C2)F | |
| 1542,roxoperone,1,C1=CC(=CC=C1C(CCCN3CCC2(C(N(C)C(C2)=O)=O)CC3)=O)F | |
| 1548,saripidem,1,C3=C(C1=C([N]2C(=N1)C=CC=C2)CN(C(CCC)=O)C)C=CC(=C3)Cl | |
| 1555,sibutramine,1,C1=CC(=CC=C1C2(C(CC(C)C)N(C)C)CCC2)Cl | |
| 1580,taltrimide,1,C1=CC=CC2=C1C(N(CC[S](NC(C)C)(=O)=O)C2=O)=O | |
| 1603,thiazesim(tiazesim),1,C1=CC=CC2=C1N(C(CC(S2)C3=CC=CC=C3)=O)CCN(C)C | |
| 1604,thiopropazate,1,C1=C(Cl)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCN(CCOC(C)=O)CC4 | |
| 1609,tienocarbine,1,C1=C4C(=C2C(=C1)SC=C2C)C3=C(CCN(C3)C)[NH]4 | |
| 1621,tisocromide,1,C1=C(OC)C(=CC2=C1[S](OC(C2)C(NC(CC(N(C)C)(C)C)C)=O)(=O)=O)OC | |
| 1627,toloxychlorinol,1,C1=CC=CC(=C1OCC(COC(C(Cl)(Cl)Cl)O)OC(C(Cl)(Cl)Cl)O)C | |
| 1689,amedalin,1,CNCCCC2(C)C(=O)N(c1ccccc1)c3ccccc23 | |
| 1691,amiflamine,1,[C@@H](O)([C@@H](O)C(=O)O)C(=O)O.[C@@H](N)(CC1=CC=C(N(C)C)C=C1C)C | |
| 1699,asimadoline,1,[C@H](N(C(C(C1=CC=CC=C1)C2=CC=CC=C2)=O)C)(C3=CC=CC=C3)CN4CC[C@@H](C4)O | |
| 1704,befuraline,1,C3=C(C(N2CCN(CC1=CC=CC=C1)CC2)=O)OC4=C3C=CC=C4 | |
| 1705,beloxepin,1,[C@@H]24[C@@](C1=CC=CC=C1OC3=C(C=CC=C23)C)(CCN(C4)C)O | |
| 1736,carpipramine,1,C1=CC=CC4=C1N(CCCN3CCC(N2CCCCC2)(CC3)C(N)=O)C5=C(CC4)C=CC=C5 | |
| 1751,cinfenine,1,C1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C\C=C\C3=CC=CC=C3)C | |
| 1757,citalopram,1,C1=CC(=CC3=C1C(C2=CC=C(F)C=C2)(OC3)CCCN(C)C)C#N | |
| 1768,clovoxamine,1,C1=C(C(=N/OCCN)/CCCCOC)C=CC(=C1)Cl | |
| 1777,dabelotine,1,C1=CC=C3C(=C1OCC2CNCCO2)N(CCC3)C | |
| 1787,delorazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(N2)=O)C3=CC=CC=C3Cl | |
| 1788,demexiptiline,1,C1=CC=CC2=C1C(C3=C(C=C2)C=CC=C3)=NOCCNC | |
| 1789,denzimol,1,C1=CC(=CC=C1C(C[N]2C=CN=C2)O)CCC3=CC=CC=C3 | |
| 1794,dextromoramide(levomoramideandracemoramide),1,C4=C(C(C(=O)N1CCCC1)(C2=CC=CC=C2)C(CN3CCOCC3)C)C=CC=C4 | |
| 1796,dezinamide,1,C1=C(C=CC=C1OC2CN(C(N)=O)C2)C(F)(F)F | |
| 1800,dicarbine,1,C1=C(C)C=CC3=C1C2C(CCN(C2)C)N3 | |
| 1806,difluprednate,1,[C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)(F)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CCC)=O | |
| 1831,fezolamine,1,C1=C(C(=N[N]1CCCN(C)C)C2=CC=CC=C2)C3=CC=CC=C3 | |
| 1889,loreclezole,1,C1=CC(=CC(=C1\C(=C\[N]2C=NC=N2)Cl)Cl)Cl | |
| 1897,mephobarbital(methylphenobarbital),1,C2=C(C1(C(N(C(NC1=O)=O)C)=O)CC)C=CC=C2 | |
| 1899,meprednisone,1,[C@H]12[C@@]([C@](C(CO)=O)(O)[C@H](C1)C)(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C | |
| 1912,methylprednisolone-acetate,1,[C@H]24[C@H]1[C@@]([C@](C(COC(CCC(O)=O)=O)=O)(O)CC1)(C[C@@H]([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)C)C)O)C | |
| 1933,nicodicodine,1,C1=CC(=C3C2=C1CC6C4C2(C(O3)C(CC4)OC(C5=CN=CC=C5)=O)CCN6C)OC | |
| 1941,oxanamide,1,O1CCCCC1C(=O)N | |
| 1945,oxypertine,1,C1=C(OC)C(=CC2=C1C(=C(C)[NH]2)CCN4CCN(C3=CC=CC=C3)CC4)OC | |
| 1981,prosulpride,1,C1=C([S](N)(=O)=O)C=CC(=C1C(NCC2N(CCC2)CCC)=O)OC | |
| 2000,setoperone,1,C4=C(C(C3CCN(CCC1=C(N=C2N(C1=O)CCS2)C)CC3)=O)C=CC(=C4)F | |
| 2015,ticabesone(ticabesone-propionate),1,[C@]14([C@](OC(=O)CC)([C@@H](CC1C3[C@@](F)(C2(C(=CC(=O)C=C2)[C@@H](F)C3)C)[C@@H](O)C4)C)C(SC)=O)C | |
| 2030,trifluomeprazine,1,C1=CC=C2C(=C1)SC3=C(N2CC(C)CN(C)C)C=C(C=C3)C(F)(F)F | |
| 2033,tropapride,1,[C@H]13N([C@H](CC(C1)NC(C2=CC=CC(=C2OC)OC)=O)CC3)CC4=CC=CC=C4 | |