zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001353135347 | C#CC[C@H]1CCCN(C(=O)NCc2nc(Cc3ccccc3F)no2)C1 |
ZINC001205373086 | O=C(CCCl)c1ccc(O[C@@H]2CCc3c(F)cc(F)cc32)cc1 |
ZINC000401571310 | CCCN(CC(C)C)[C@]1(CN)CO[C@@H](C)C1 |
ZINC001239886118 | CC1(C)CC(=O)Nc2cccc(-c3cccc(C(N)=O)c3)c21 |
ZINC000634037040 | O=C(CCCc1nccs1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@H]12 |
ZINC000069954316 | CC[C@@H]1CCCN(C(C)(C)CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)C1 |
ZINC000397099069 | N=C(N)[C@H](CSc1ccc(F)cc1)C1CCCCC1 |
ZINC001203545930 | CCOc1ccccc1CN1CC(C)(CNC(=O)OC(C)(C)C)C1 |
ZINC000259185559 | Cc1cc(C)cc(N2CCOC[C@H]2CO)c1 |
ZINC001176996440 | Cc1cc(-n2ccnc2)ccc1CN1CCO[C@H](C(C)(C)C)CC1 |
ZINC000509493692 | Cc1cccc([C@H](CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)N2CCOCC2)c1 |
ZINC000815176416 | COc1ccc(C)cc1CC(=O)OCCOCCC#N |
ZINC001497455489 | CCC(C)(CC)C(=O)NCCN(C(=O)[C@@H]1CCOC[C@H]1C)C1CC1 |
ZINC000117045935 | CCOCCN1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)C[C@H]1CC |
ZINC000671805874 | C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)NCC(C)(C)[C@@H]3CCCCO3)c2)CCO1 |
ZINC001190750820 | CC[C@@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc(C)cn2)C1 |
ZINC001773617085 | CC(C)(C)OC(=O)c1cc(C(=O)NC(C)(C)C(F)(F)F)[nH]n1 |
ZINC001731271792 | CC(=O)NCC(C)(C)C(=O)NCCCN(C)[C@@H](C)c1nnnn1C |
ZINC000670383711 | O=C(c1n[nH]c2ccccc12)N1CCC[C@H](c2nnc(O)o2)C1 |
ZINC000942192192 | CCc1ccc(C(=O)N[C@H]2CCN(Cc3cnccc3C)C[C@H]2C)o1 |
ZINC001685038175 | C=C/C=C/CCNC(=O)NCc1ccc(Br)cc1F |
ZINC000175719773 | C[C@@H]1CN(C(=O)NCc2ccc([S@](C)=O)cc2)C[C@@H](c2ccccc2)O1 |
ZINC001827301850 | O=C(c1ccnc(C(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)c2nccc3occc23)CC1 |
ZINC000891571647 | CNC(=O)CNC(=O)NCCc1cccnc1C |
ZINC001183011307 | CCOC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccnc(O)c3)cc2)C1 |
ZINC001054066570 | C[C@@H](C(=O)N1CCCCC1)N1CC[C@@]2(CCCN(C(=O)C3CC3)C2)C1 |
ZINC000631206231 | C[C@@H]1C[C@@H](c2cccnc2)N(c2ccccc2S(N)(=O)=O)C1 |
ZINC001612686466 | C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CCC2)n1C[C@H]1CCO[C@H](C)C1 |
ZINC001267619248 | CCCCCN1CCC[C@@H](NC(=O)c2cn(C)nc2Cl)C1 |
ZINC000162934937 | CCOCC[C@H](NC)[C@H]1CCOC1 |
ZINC000877706681 | COC(C)(C)CCNCc1cccc(B(O)O)c1 |
ZINC001721300379 | Cc1[nH]ccc1C(=O)N1CC[C@@H](CN(C)C(=O)C=C2CCC2)C1 |
ZINC000259367671 | OCC1(c2csc(C3CCC3)n2)COC1 |
ZINC000418061437 | C[C@@H](CCCC(F)(F)F)NC(=O)N[C@@H](CN)C1CCCCC1 |
ZINC000731676973 | C[C@@H](NCc1ccc2c(c1)CCC(C)(C)O2)c1ccc(NC(=O)NC2CC2)cc1 |
ZINC001566286672 | CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCCCC[C@H]3CC(=O)c3ccco3)=NO2)C1 |
ZINC000218982837 | C[C@@H]1CN(C)[C@H](CC#N)C(=O)N1C |
ZINC001700943405 | CCCNC[C@H](O)CN(C)C(=O)c1c[nH]nc1-c1ccncc1 |
ZINC000849788271 | Cc1nc(C2CC2)ccc1C(=O)OCc1ccc2c[nH]nc2c1 |
ZINC000270414963 | COC(=O)[C@H]1COCCN1C(=O)c1ccnc(OCC(F)F)c1 |
ZINC000690711843 | NC[C@H](c1cccc(Cl)c1)N1CC[C@@H](NC(N)=O)C1 |
ZINC001204834958 | CCOc1ccnc(-c2ccc(OC)cc2OCc2ccccc2)n1 |
ZINC000177096438 | COc1cccc(CC(=O)N2CCc3ccc(NC(=O)[C@@H]4C[C@H]4C4CC4)cc32)c1 |
ZINC000849509625 | CC(C)N1CC[C@H](C(=O)NC[C@@H]2CCCCO2)[C@@H](c2cnn(C)c2)C1 |
ZINC001730128352 | COc1ccc(CCn2c(-c3ccc(C)o3)nnc2N2CC[C@H](C)[C@@H]2C)cc1F |
ZINC001812227896 | O=C(NC[C@H]1CCN(C(=O)Cc2cnc3ccccn23)[C@H]1c1cccnc1)c1cccc2ccoc12 |
ZINC001065238119 | CC1(C(=O)N2CCO[C@@H](CNC(=O)Cc3nc[nH]n3)C2)CC1 |
ZINC000106396243 | CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sccc23)CC1 |
ZINC001694240702 | CC[C@H](c1ccccc1)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@]1(C)CCCO1 |
ZINC001127676492 | C[C@H]1[C@H](C)CCC[C@H]1OC(=O)CC1CCCC1 |
ZINC001806878207 | O=C(/C=C\c1c[nH]c2ccccc12)N1CCCC2(CCN(C(=O)c3cccnc3OCC3CC3)CC2)C1 |
ZINC001447525526 | NS(=O)(=O)CCCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCCO2)C1 |
ZINC001300604017 | C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCC[C@@H]1C |
ZINC000486015076 | Cc1cscc1CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] |
ZINC000210218384 | C[C@H]1CCCN(C(C)(C)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 |
ZINC001495605995 | CC[C@H](C)c1nnc(N2CCC[C@H]2c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 |
ZINC001685306028 | CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(C)cc2C)[C@@H]1C |
ZINC001088561496 | C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1Cc1noc(-c2ccoc2)n1 |
ZINC001601046468 | N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](F)C(=O)O |
ZINC000496399463 | O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@H]2CCC[C@H]21 |
ZINC001635891652 | CC(C)(CO)[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1 |
ZINC001466550509 | CS[C@H]1CN(C(=O)C2(Cc3cccc(Cl)c3)CCCCC2)C[C@@H]1N(C)C |
ZINC001030702559 | CNC(=O)c1cccc(CN2CC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)c1 |
ZINC000476278454 | O=C(c1c[nH]nc1C1CC1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 |
ZINC001423100572 | CCc1ccccc1CN1CC[C@H]1CNC(=O)[C@@H](C)n1cncn1 |
ZINC000651012267 | O=C(NCCC1(CO)CCC1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 |
ZINC001519760635 | C=CCNC(=O)N[C@H]1CCOCC12CCCC2 |
ZINC000016802653 | COCCn1c(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nc2ccccc21 |
ZINC001562390606 | COC(=O)[C@H](CNC(=O)Nc1ccc(Oc2cccc(C)c2C)nc1)c1ccccc1 |
ZINC001572992969 | CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@@H]1O |
ZINC000576976854 | CC1(C)[C@H]2CN(C(=O)C(=O)N3CCC(c4cccc(N)c4)CC3)C[C@H]21 |
ZINC001197058004 | COC(=O)c1cccc(C)c1S(=O)(=O)N[C@@H]1COC(C)(C)C1 |
ZINC001481387768 | CCCN(C(C)=O)[C@@H]1CCN(C[C@@H](O)CN2C(=O)CCC2=O)C1 |
ZINC000737440030 | COc1ccc(CCNN=C2C(=O)Nc3ccc(-c4ccccc4)cc32)cc1 |
ZINC000091715962 | CCN(CC)CC[C@H](N)Cc1ncnn1C(C)C |
ZINC000902443675 | Cc1nc(CS[C@H](C)C(=O)N(C)C(C)C)sc1Br |
ZINC001473887949 | COc1ccc([C@@H]2CN(Cc3c(Cl)cncc3Cl)CCO2)cc1OC |
ZINC001523346912 | CCC(C)(CC)C(=O)N(C)CCCNC(=O)c1cnn(C)c1 |
ZINC000426339905 | CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cccc(C)c1F |
ZINC001603249741 | CC(C)[C@H]1N(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC12CC=CC2 |
ZINC000844096074 | CN1CCC2(CC1)CN(C(=O)CN1C(=O)c3ccccc3S1(=O)=O)CCO2 |
ZINC000909122992 | Cn1c(CNC(=O)N2CCOC[C@H]2C(=O)O)nc2cc(Cl)ccc21 |
ZINC001623777519 | CCCN(C)c1ccccc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 |
ZINC000499480531 | COc1ccc(-c2nc(CN3CCN(C(=O)NCC4(C)CCOCC4)CC3)cs2)cc1 |
ZINC000093798303 | CCN[C@@H]1CC[C@@H](n2ccc(C(F)(F)F)n2)C1 |
ZINC001831389128 | CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3nn[nH]c3c2)CC1 |
ZINC000926665775 | C[C@@H](NC[C@H]1C[C@@H](N(C)C)C1)c1cnn(C)n1 |
ZINC000706751804 | CCNCc1occc1CN1C[C@@H]2CCCC[C@H]21 |
ZINC000856228403 | C/C(=C/C(=O)NCCCc1ccco1)c1ccco1 |
ZINC001692014557 | CCCC(=O)N1C[C@@H](OCC)[C@H](CNCCn2cccn2)C1 |
ZINC000184170108 | CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CCCCC[C@@H]2c2ncon2)C1 |
ZINC000574755765 | CN1CCC[C@@H](C(=O)NCc2cc3ccccc3o2)C1=O |
ZINC001445835190 | CN(C[C@@H]1CCN1C(=O)C1(C)CC1)C(=O)CCn1cnnn1 |
ZINC000821638597 | COC(=O)[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1 |
ZINC001272434635 | CC(=O)Nc1ccc(OC(=O)c2cc(Br)cc(N(C)C)c2)c(F)c1F |
ZINC000687879036 | C[C@@H](CC(F)F)C[C@@]1(O)CCCC12CCCCC2 |
ZINC001737198092 | Cc1cc(C2(C(=O)NCCCN(C)C(=O)c3cnn[nH]3)CC2)on1 |
ZINC001091662937 | CCO[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1CNc1cc(F)ncn1 |
ZINC000511464824 | CCSc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1 |
ZINC001571181666 | O=C(O)c1cnc(N2[C@H]3CC[C@H]2CN(C(=O)[C@H]2CC24CC4)C3)nc1 |
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