zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000301341131 | O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3cc2CO)CC1 |
ZINC000952665126 | CC[C@@H](C)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccco1 |
ZINC001760512231 | C=CCn1c(CN2CCCC2=O)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 |
ZINC000563479514 | CCN(C(=O)C(=O)NCC(C)(C)C1CCCC1)[C@H](C)CS(=O)(=O)CC |
ZINC001397735718 | CCOCC(=O)N1CC2(CCN(CC[C@H](C)F)CC2)C[C@@H]1C |
ZINC001193363530 | COc1cc(N(C(=O)c2cc(OCc3ccccc3)c(OC)cc2C)C2CCNCC2)ccn1 |
ZINC001225444568 | CCOC(=O)[C@H]1C[C@@H](Oc2ccc(Br)c(Cl)c2)C1 |
ZINC001406761064 | O=C(CC(F)(F)F)N[C@@H](CNCc1ccc2c(c1)COC2)C1CC1 |
ZINC000057619419 | Cc1ccc([C@@H](NC(=O)NC[C@]2(N3CCOCC3)CCSC2)C2CC2)cc1 |
ZINC001596079849 | COc1ccc(F)cc1CCNC(=O)c1cc(-c2ccccc2)c(C)nc1O |
ZINC001682576861 | CNC(=O)C1(C(=O)N[C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]2O)CCC1 |
ZINC000404902606 | CN(C)C[C@H]1CCCCN1CC1(C(=O)O)CCOCC1 |
ZINC000504310758 | CC(C)C(=O)NCCN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 |
ZINC000582698272 | C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 |
ZINC000404784330 | CCN(Cc1cccc(C)c1)[S@@](=N)(=O)C(C)C |
ZINC001716463894 | Cc1ccc(CCNC[C@H](C)NC(=O)[C@@H](C)CN2CCOCC2)cc1 |
ZINC001440197931 | CCC(CC)[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2CC(=O)NC1CC1 |
ZINC000659065572 | Cc1ccncc1CCNC(=O)C(=O)Nc1cccc(CCC(=O)O)c1 |
ZINC001208226008 | CCOC1CC(CN[C@@H]2CCCN(C(=O)CC(C)(C)CC)C2)C1 |
ZINC000130318171 | CC(C)n1nnnc1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 |
ZINC000740151143 | COCCOc1ncccc1C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 |
ZINC001753028757 | CC/C(C)=C\C(=O)NCCC[C@H]1CCCN1CCO |
ZINC001434937919 | CCN(C(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 |
ZINC001527938419 | CCO[C@H](C)C(=O)NCCN(C)C(=O)c1cn(C)ccc1=O |
ZINC000025965121 | O=C1C[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CN1Cc1ccco1 |
ZINC001690009024 | C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCC(F)(F)C1 |
ZINC000679459471 | Cc1c(C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)cnn1CCC(C)C |
ZINC000087857021 | Cc1cc([C@@H](O)[C@@H]2COc3ccccc3O2)ccc1F |
ZINC000722772287 | CC[C@@H](N)Cc1cc(OCC2CS(=O)(=O)C2)ccc1Br |
ZINC001606061660 | CN(C)c1cccc(CNS(=O)(=O)c2ccc(C(=O)O)c3ccccc23)n1 |
ZINC000565365880 | CCn1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1 |
ZINC000455398579 | COCC(COC)NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 |
ZINC001056599725 | CCCCCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H](C)SC)C[C@H]21 |
ZINC000802176726 | O=C(O[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1coc(C2CCOCC2)n1 |
ZINC001650012415 | COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1nnc(C2CC2)o1 |
ZINC000982206665 | CCC(=O)N1CC2(CCN(C(=O)c3cnc(C)nc3C)CC2)C[C@H]1C |
ZINC000624260804 | CCN(CC)C[C@@H](C)NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 |
ZINC000589198953 | CC[C@@](C)(O)CNC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 |
ZINC000544876250 | CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)OC |
ZINC001382546409 | CC(C)(CC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC1 |
ZINC000339693320 | Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1C1CCCC1 |
ZINC000067224543 | N#Cc1cccc(CNC[C@H](O)COc2cccc(F)c2)c1 |
ZINC001496336096 | C=CCOCC(=O)N1CC[C@H](NCc2ccc(Cl)cc2)[C@@H](C)C1 |
ZINC000255521955 | C/C(=C/c1ccc(F)cc1)C(=O)OC(C)C |
ZINC000119436505 | CCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@H](C)C(C)C |
ZINC001689180336 | C#CCN1CC[C@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)[C@H]1CC |
ZINC001596194166 | CCN(C)c1ccc(CN2CCC([C@H](O)C(=O)O)CC2)cc1 |
ZINC000417822227 | O=C(NCC1=CCNCC1)NC[C@@H](Cc1ccccc1)c1ccccc1 |
ZINC000278365574 | CC(C)[C@@H]1CN(C(=O)N[C@@H](C)c2nnc3ccccn23)c2ccccc21 |
ZINC000610707449 | COC(=O)c1cccc(CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1 |
ZINC001189748164 | C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)nn3)[C@@H]2C1 |
ZINC000755194224 | O=C(CCN1CCc2ccnc(O)c2C1)C1CC1 |
ZINC001072837331 | CC1(NC(=O)Cn2ccnc2)CCN(C(=O)c2cnccn2)CC1 |
ZINC001400628239 | COCC1(C(=O)NCC2(NC(=O)C3(C)CCCCC3)CC2)CCC1 |
ZINC000132673222 | Nc1c(Cl)cccc1Nc1ccc(F)cc1 |
ZINC001066393795 | CC[C@@H](F)C(=O)N[C@H]1CCCN(C(=O)CNC(=O)NC)CC1 |
ZINC001482580164 | CC[C@@H](C)C(=O)N(C)CCN(C)Cc1cnn(C)n1 |
ZINC001720982152 | CC(C)(O)CC(=O)NCc1ccc(CCNC(=O)C(N)=O)cc1 |
ZINC000699323569 | CN[C@H](C#N)[C@@H](C)Oc1cccc(I)c1 |
ZINC001183494190 | CC(=O)c1c(F)cccc1NC(=O)[C@H](C)OCc1ccccc1 |
ZINC001417995442 | CO[C@@H](C(=O)NC[C@H](NCc1cc(C)n(C)n1)C1CC1)C(C)C |
ZINC001466810764 | C#Cc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)cc1 |
ZINC001016792323 | CC(C)N1CCO[C@H](C(=O)N[C@H]2CC23CCN(CCCF)CC3)C1 |
ZINC000942733205 | CCN(C(=O)C1CC(C)C1)[C@@H]1CCN(C(=O)Cc2cnn(C)c2C)C1 |
ZINC001010961323 | C[C@@]12CN(C(=O)/C=C/C3CC3)C[C@]1(C)CN(C(=O)[C@@H]1CC13CCC3)C2 |
ZINC000685028302 | O=C(Nc1cncc(F)c1)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 |
ZINC001074399153 | C[C@H](CC(=O)NCC1(O)CCN(C(=O)C2CC2)CC1)c1ccccc1 |
ZINC000896311285 | CCC[C@H]1CCC[C@H]1c1nc(-c2nc(=N)cc[nH]2)no1 |
ZINC000502574254 | CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1OC |
ZINC001792175115 | COC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4C(=O)C=CC4=O)cc3)cc2)CCC1 |
ZINC001108322242 | CC(C)c1cccc(C(=O)NC[C@]2(C)CN(C(C)C)CCO2)c1 |
ZINC000401552387 | CCN[C@H](COc1cccc2c1OCC2)C(=O)OC |
ZINC000395653792 | CC(C)(C)[C@@H](CN)N1C[C@H]2CC=CC[C@H]2C1 |
ZINC000076660015 | CC[C@@H](C)NC(=O)C[C@H](C(=O)O)C1CCCCC1 |
ZINC001539424468 | CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[C@@H]1C |
ZINC001096416632 | O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ncccn1)c1cc(Cl)ccc1Cl |
ZINC001219979838 | Cn1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(C(N)=O)n1 |
ZINC000537205546 | C[C@@H](c1ccccc1Cl)N(C)Cc1cccc2nccn12 |
ZINC000239284842 | C[C@@H]1[C@@]2(O)C[C@H](c3ccccc3)C(C#N)(C#N)[C@@]1(C#N)C(=O)N2 |
ZINC000606935119 | COc1cc(C(=O)NCC(=O)NC2(c3cccc(F)c3)CC2)cc(OC)c1OC |
ZINC001226905108 | Cc1ccccc1OC[C@H](C)Oc1ccc2ccc(=O)oc2c1 |
ZINC001347675122 | CC(C)OCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1nnc(O)nc1O |
ZINC001606070133 | CN(C)c1noc(CCC(=O)N[C@@H](CC(=O)O)C2CC2)n1 |
ZINC001036821400 | Cn1cnc2ccc(C(=O)N3CC[C@H]4[C@H](CCN4CCCF)C3)nc21 |
ZINC000701642637 | C=C(COCCC)[C@H](NCC)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 |
ZINC001380676064 | C[C@@H](CNC(=O)c1cn(C)cn1)N(C)C(=O)CN1CCCC1 |
ZINC001000092067 | CC1(C)CO[C@H](CN[C@@H]2CCCN(C(=O)C3(C)CC=CC3)C2)C1 |
ZINC000303439472 | O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(Oc2ccc(F)cc2F)cc1 |
ZINC001280805893 | Cc1ncoc1C(=O)N[C@H](C)CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 |
ZINC000732501055 | C[C@@H](Cc1ccccc1)OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 |
ZINC000924328782 | O=Cc1cc(C(=O)N2CCC[C@@H](c3ncccn3)C2)ccc1F |
ZINC001035565705 | Cc1cc(=O)c(C(=O)NC[C@H]2CN(Cc3cncs3)CCO2)c[nH]1 |
ZINC001268082532 | Cc1nc(CNC[C@H](C)N(C)C(=O)[C@@H]2CCC(C)(C)C2)oc1C |
ZINC000997828787 | C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2ncc[nH]2)O1 |
ZINC000495841719 | COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccnc3ccncc23)C1 |
ZINC000810913743 | O=C(Cc1cc2ccccc2o1)OC[C@@H]1CCN(c2ccccc2F)C1 |
ZINC001587680282 | COc1ccc(CN2CC[C@H]2CNC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1 |
ZINC000195679284 | O=C(c1ccc(COc2ccccc2Br)cc1)N1CCCN(CC(F)(F)F)CC1 |
ZINC000838504908 | CC(C)c1ccc(NNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)cc1 |
ZINC001413346477 | CN(C[C@H](O)CNC(=O)[C@@H]1CC1(C)C)C(=O)c1ccncc1Cl |
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