zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000815003110 | CC1(C=NNC(=O)Nc2ccc(Cl)cc2)COC1 |
ZINC001018609788 | CCC1(C(=O)N2CC[C@H](C)[C@H](CNC(=O)c3ccon3)C2)CCC1 |
ZINC001139897742 | CN1CCC[C@H]2CN(Cc3cncc4ccccc34)C[C@H]21 |
ZINC001247810190 | CCOC(=O)[C@]1(F)C[C@@H]1c1nc(-c2cccc(F)c2)no1 |
ZINC001395407082 | CCC(CC)C(=O)N[C@H]1C[C@H](CNC(=O)c2ncc3n2CCCC3)C1 |
ZINC001756910723 | Cc1ncoc1C(=O)N[C@H](C)CCCCNC(=O)C(N)=O |
ZINC000952929369 | O=C(Cc1ccc[nH]1)N1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 |
ZINC001360864906 | Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC2CC2)c1C |
ZINC001325539467 | CCOc1ccc(OCC(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)cc1 |
ZINC001476987947 | C#CCOCCNC(=O)Nc1ccc(C(=O)OC)cc1OCCOC |
ZINC000644801251 | Cc1cnc(CN(C)[C@@H]2CCN(C(=O)CCc3ccn(C)n3)C2)o1 |
ZINC001790030559 | CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(OC(F)(F)F)cc4)[C@H]3C2)COC1 |
ZINC000789372574 | FC(F)(F)CC1CCN(C(=S)NCc2ccon2)CC1 |
ZINC001072506777 | CCO[C@@H]1C[C@@H]1C(=O)N1CC2(CCN(Cc3cncs3)C2)C1 |
ZINC000564803880 | C[C@@H]1[C@H](C(F)(F)F)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C1CC1 |
ZINC000961462561 | Cn1c(C(=O)N[C@H]2[C@@H]3CN(CC4CC(C)(C)C4)C[C@@H]32)cnc1O |
ZINC001844410256 | CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)c2cc(Br)cnc2Cl)C1 |
ZINC001261847805 | O=C(/C=C/COC1CCOCC1)Nc1ccccc1CN1C(=O)CCC1=O |
ZINC000790122201 | COCCOc1ccc(-n2nc(C)c(C(=O)Nc3cc([C@H]4CCCO4)nn3C)n2)cc1 |
ZINC001779127372 | O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)c1cccn2cncc12 |
ZINC001202770287 | Cc1ccc(C)c(NC(=O)Nc2cc(C(=O)NCc3ccco3)ccc2C)c1 |
ZINC000573140354 | C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc2nc(O)[nH]c12 |
ZINC000923679494 | CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCCCCCN1CCNCC1 |
ZINC000680465344 | C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc2c(c1)C(=O)NCC2 |
ZINC001376083827 | CC(C)[C@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)C(C1CC1)C1CC1 |
ZINC001444004714 | CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NCC1CCN(CC#N)CC1 |
ZINC000134991601 | C=C[C@](C)(CC)C(=O)NCCc1nc2ccccc2n1CC |
ZINC000458478287 | CCO[C@@H]1CCN(C(=O)N[C@H](COC)c2ccco2)C[C@@H]1C |
ZINC001385256610 | COC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(C(F)F)cc2)CC1 |
ZINC001271055776 | CN(C)C(=O)CN1CC2(C1)CN(C(=O)CNS(C)(=O)=O)C2 |
ZINC001217347565 | COc1ccc(I)cc1-c1noc(-c2nccc3cc[nH]c23)n1 |
ZINC001066241306 | O=C(c1ccns1)N1CCC[C@H]2CN(c3ncc(Cl)cn3)C[C@H]21 |
ZINC000626998517 | C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCNC2)CN1Cc1ccccc1 |
ZINC000283556447 | CC(=O)Nc1ncc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)s1 |
ZINC000863413045 | Cc1csc(C(=O)NNS(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c1 |
ZINC001487308434 | C#CCOCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]12 |
ZINC000769085685 | C[C@@H](OC(=O)CC[C@]1(C)CCC(=O)N1)c1nc(O)c2ccccc2n1 |
ZINC000537376333 | Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCCOCC2)c1 |
ZINC000941109176 | CO[C@@H]1CN(C(=O)c2cnc(C)s2)C[C@H]1NC(=O)c1ccc(O)nn1 |
ZINC001793857828 | Cc1ncsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccc(N(C)C)c1 |
ZINC001735375045 | O=C(C#CC1CC1)NC[C@H]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 |
ZINC000965683928 | CC(C)(C(N)=O)C(=O)N1CC2(C[C@@H](NC(=O)C3=CCCC3)CO2)C1 |
ZINC000946206134 | Cc1ncc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cc2cscn2)[nH]1 |
ZINC000089448956 | CC(=O)c1ccc(NC(=O)NC[C@H](C)C[C@@H](C)O)cc1C |
ZINC001340405386 | O=C1CC[C@@H](C(=O)NCCC2=CCN(C(=O)c3cccnc3)CC2)N1 |
ZINC001015252348 | C=C(C)CCN1CC[C@@H](NC(=O)c2ccn3ccnc3c2)C1 |
ZINC001722321849 | C#CCCCCn1c(N2CCN(C(C)=O)C3(CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 |
ZINC000588678602 | C[C@H]1CCCN([C@H](C)CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 |
ZINC001023390072 | Cn1ccc(-c2cc(C(=O)NC[C@@H]3CCCN(CCF)C3)no2)n1 |
ZINC000729846170 | C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCCO[C@@H](c2ccccc2)C1 |
ZINC000861875540 | COc1cc(NC(=O)C(=O)N2CC[C@@H](CN3CCOC3=O)C2)c(F)cc1C#N |
ZINC000953432122 | C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C1CCN(C(=O)c2cn[nH]c2)CC1 |
ZINC000713302543 | CC(C)(C)C[C@@H]1CCCc2ccccc2C1=O |
ZINC000478724788 | CC(C)c1csc(CNC(=O)c2nccnc2NC(=O)C(C)(C)C)n1 |
ZINC000641839271 | O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)N1CCC=C(c2ccco2)C1 |
ZINC000108790466 | Cn1cc(C(=O)N2CCC(C#N)CC2)c(-c2ccccc2Cl)n1 |
ZINC000927954808 | COC(=O)[C@H](CNC(=O)CC1(O)CCCC1)Cc1ccccc1 |
ZINC001104890982 | C[C@@H](CNc1nc[nH]c2ncnc1-2)N(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C |
ZINC000904258279 | C[C@H](NC[C@H]1CCCN1CC(F)(F)F)C(=O)O |
ZINC001611094144 | C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCCC[C@H]3C(=O)Nc3cc(Cl)ccc3Cl)CN2C1 |
ZINC001087038529 | CCO[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1CNCc1nocc1C |
ZINC001029275274 | Cc1ncsc1CN1[C@H]2CC[C@H]1CN(C(=O)c1ccc(C#N)[nH]1)C2 |
ZINC001201604495 | CN1CCN(C(=O)c2ccc(-n3c(N)cc(Cl)cc3=N)cc2)CC1 |
ZINC000969783322 | CCc1ccccc1C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 |
ZINC001593186608 | O=C(N[C@H]1C[C@@H](NCc2cccc(-c3nn[nH]n3)c2)C1)c1cnn2ccncc12 |
ZINC001705972992 | CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C)o3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1 |
ZINC000234673264 | COCC[C@@](C)(O)CN[C@@H]1CCC(C)(C)c2ccccc21 |
ZINC000881255324 | CC(C)/C=C\c1cn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1 |
ZINC000649561711 | C[C@@H]1CN(C(C)(C)CNC(=O)COC[C@H](C)c2ccccc2)C[C@@H](C)O1 |
ZINC001264739141 | CCCN(CC(=O)OCC)C(=O)c1sc2ccccc2c1Br |
ZINC000912142304 | C[C@H]1CCCCN1NC(=O)c1ccc2nc[nH]c2c1F |
ZINC001184799960 | C[C@@H]1CN(C(=O)c2cccc3nccn23)CC[C@@H]1CNC/C=C\Cl |
ZINC001195996661 | C=CC(C)(C)CC(=O)N1CCCN([C@@H](C)c2n[nH]c(CC)n2)CC1 |
ZINC000664664975 | CC(C)(C)Cc1csc(NC(=O)C(=O)NCCOCCF)n1 |
ZINC001824497002 | C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 |
ZINC001053475440 | C[C@@H]1CN(C(=O)C[C@@H]2CC=CCC2)C[C@H]1CCNc1cnc(C#N)cn1 |
ZINC000628065970 | CC(C)n1ccc(NC(=O)C(=O)N(C)[C@H](CCc2ccccc2)C(F)F)n1 |
ZINC001459783223 | Cc1cc(CN2CCN(C(=O)OCc3ccccc3)CC2)ccc1N(C)C |
ZINC000518060489 | COc1cc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cc(OC)c1O |
ZINC001536107231 | CN1CCC[C@@H]1C[C@@H](N)C(F)(F)F |
ZINC001578152098 | CCN(CCNc1nc(C)cc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCCC(=O)N1 |
ZINC001280634196 | CCC(C)(C)CC(=O)N[C@@H](C)C1CN(C(=O)c2ccc(C)c(C)n2)C1 |
ZINC001337538086 | C/C(=C\c1ccccc1)CN(C)C(=O)c1nn(C)c(C)c1Br |
ZINC000366276303 | CNC(=O)[C@H]1CN(C(=O)NOCCSC)CCO1 |
ZINC001108433023 | C=CCCCCCN1CCO[C@@](C)(CNC(=O)[C@H](C)OCC=C)C1 |
ZINC000450960795 | COc1ccc2nc(N3CC[C@H](CCCO)C3)c(C)nc2c1 |
ZINC001377367781 | CCc1noc(C)c1CN1CC[C@@H](NC(=O)COC)C[C@@H]1C |
ZINC001575298463 | C[C@H](NC(=O)Nc1cc(-c2nn[nH]n2)c(F)cc1F)C1CCCCC1 |
ZINC001747564843 | C=C/C(C)=C\CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1cnon1 |
ZINC000638837393 | CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H](c1nccn1C)C1CC1 |
ZINC000547127130 | O=C(CCc1ccccc1)N1CCC(c2nc(Cc3nc4cccnc4[nH]3)no2)CC1 |
ZINC000004554234 | Cc1ccc(CN2C(=O)[C@](O)(c3c(C)[nH]c4ccccc34)c3ccccc32)c(C)c1 |
ZINC000009464355 | CCOC(=O)Cc1csc(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1 |
ZINC000698560883 | COC(=O)[C@H](NC1CC1)[C@@H](C)N1C[C@H]2[C@H](N(C)C)[C@H]2C1 |
ZINC000115057101 | CC(C)(C)OC(=O)N(CCNC(=O)CCC1CC1)C1CC1 |
ZINC001687781606 | CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)N1CCc2nnc(O)cc2C1 |
ZINC001834053737 | N#Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccns4)CC3)CC2)cc(C(F)(F)F)c1 |
ZINC000071764614 | COc1ccc(F)cc1C(=O)[C@@H]1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1 |
ZINC000442482330 | C[C@H]1COc2ccccc2CN1C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 |
ZINC000062761388 | CCCCOCCOCC[C@@H](OCC)C(=O)O |
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