zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000549841089 | CC(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 |
ZINC000862563285 | C#CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1 |
ZINC001824040077 | COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cnn5c4CCC5)sc3C2)C1 |
ZINC000417711644 | CCC(CC)CNC(=O)N1C[C@@H]2CNC[C@@H]2C1 |
ZINC000367861407 | C[C@H]1CN(C(=O)NCCC2(O)CCOCC2)C[C@]2(CCO[C@H](C)C2)O1 |
ZINC001119618421 | CCOCCN1CCN([C@H]2C[C@H](N)C[C@@H]2O)CC1 |
ZINC001229450385 | CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCc1cc(F)ccc1CS(C)(=O)=O |
ZINC001110528660 | CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)c1ccc(F)cc1 |
ZINC001788890872 | O=C1CCc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cnncc5C(=O)O)[C@H]4C3)nc2N1 |
ZINC001361056870 | CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)ccc2NC1=O |
ZINC001705593013 | C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCSC(C)C |
ZINC000041168877 | Cc1cc(C)c2cc(CNC(=O)COc3ccccc3)c(=O)[nH]c2c1 |
ZINC001290901631 | C[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1CNC(=O)/C=C/c1ccc[nH]1 |
ZINC001271637127 | C[C@@H](NCC#N)[C@H]1CCCN(C(=O)c2ncccc2O)C1 |
ZINC000178085579 | O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1sccc1Br |
ZINC000415191748 | CCOC(=O)c1ccccc1N(CC)C(=O)[C@@H](CC)N1CCCC1=O |
ZINC001202453023 | CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)C(=O)NC(=O)c1ccccc1 |
ZINC000434402572 | Cc1ccn(C2CCN(C(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)CC2)n1 |
ZINC001709512980 | CCC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1)OC |
ZINC001325734947 | CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 |
ZINC001812999031 | CC1(C(=O)NC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3)[C@@H]2c2cccnc2)CCCCC1 |
ZINC001515719296 | C[C@]1(O)CCCN(c2cc(Cl)ccn2)CC1 |
ZINC001387565798 | CCCN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(C(=O)c2coc(C)c2)C1 |
ZINC000977826282 | CCc1cccc(CN2C[C@@H]3C(CNC(=O)[C@@H]4CC=CCC4)[C@H]3C2)c1 |
ZINC000448556463 | C[C@H]1CN([C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)C[C@@H](C)N1CCO |
ZINC000683017746 | Cc1ccnc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 |
ZINC000538140020 | CSc1cccc(NCc2cccc(S(=O)(=O)N(C)C)c2)c1C |
ZINC001508584654 | Cc1nonc1C(=O)N[C@H](C)[C@H](C)NC(=O)c1cnn(C(C)C)c1 |
ZINC001066577773 | CN(CCCN(C)C(=O)[C@](C)(c1ccccc1)N(C)C)C(=O)C1CC1 |
ZINC001791798852 | C[C@@H](Nc1cccnc1)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4nc[nH]c4C3)cc2)CCC1 |
ZINC001458709810 | CCc1nocc1C(=O)N1CC[C@H]1CNC(=O)CC(C)(C)O |
ZINC000992144229 | COc1ccc(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3C3CCC3)C2)cn1 |
ZINC000719065545 | C[C@H](O[C@@H]1CCC[C@](NC2CC2)(C(N)=O)C1)C1CC1 |
ZINC001503783773 | CNC(=O)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C2CC2)N(C)C)CC1 |
ZINC000745130382 | Cc1ccc(-c2nc(COC(=O)[C@@H](C)c3ccco3)co2)cc1 |
ZINC000821085943 | C[C@H](CCCO)CNC(=O)c1ccsc1C(F)F |
ZINC001252008362 | COc1cc([C@H](NC[C@@H](O)c2ccccc2)C2CC2)ccn1 |
ZINC000412841333 | CCN1CC[C@@H](NC(=O)CCC(=O)N(CC)CC)C1 |
ZINC000538222339 | Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2CN2CCC(O)CC2)cc1 |
ZINC001580861312 | O=S(=O)(CC1CC2(CCC2)C1)NCC[C@@H]1CCCNCC1 |
ZINC000812357190 | COc1ccc2c(c1)C1(CC1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)C2 |
ZINC001845783001 | CCN(CC)C[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc[nH]c1C)C2 |
ZINC000493742573 | Cc1ncc(/C=C\C(=O)N[C@@H]2CCC[C@H](F)C2)s1 |
ZINC001635129775 | Cc1ccnc(O)c1C(=O)N[C@H]1CCC(C)(C)C[C@H]1C |
ZINC001017186611 | O=C(NC1(C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1)c1nc[nH]n1 |
ZINC001295176623 | CCCOCC(=O)N[C@H]1C[C@@H](NC(=O)CCc2cnccn2)C1 |
ZINC001377523654 | Cc1nccn1CC(=O)NCC[C@H](C)N[C@@H](C)C(=O)NC1CCCC1 |
ZINC001420958327 | Cn1cc(C(=O)NCC2(NCCS(C)(=O)=O)CC2)ccc1=O |
ZINC000890888438 | C=C(C)c1cccc(NC(=O)C2CCC(C(=O)N(C)C)CC2)c1 |
ZINC001222801492 | Cn1cc(CCNC(=O)NCc2ccnc(OCc3ccccc3)c2)c2ccc(F)cc21 |
ZINC000923044677 | C[C@@H]1SCC[C@H]1NC(=O)N1[C@@H](C)CCC1(C)C |
ZINC000263588595 | CSCC[C@H](C(=O)N1CCN(Cc2c(C)noc2C)CC1)n1cccc1 |
ZINC000796932655 | Cc1ccc(-n2cnnc2SCC(=O)O[C@H](C)c2nnnn2C)cc1 |
ZINC001372700151 | C[C@@H](NC(=O)Cc1cnoc1)[C@H]1CCCN(C(=O)c2ccon2)C1 |
ZINC001119528344 | COC(=O)CCCNC(=O)[C@H]1C[C@@H]2CC[C@H](C1)S2(=O)=O |
ZINC000544867503 | C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 |
ZINC001793770365 | Cc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(cnn4C)c2)C3)[nH]1 |
ZINC001617439270 | CCOc1ccc(-c2nc(C(=O)NCc3ncccc3Br)cs2)cc1 |
ZINC001608923373 | O=C(O)c1ccc2c(c1)CN(C[C@@H]1CCC3(CCOCC3)O1)C2 |
ZINC001542021318 | C[C@]1(N2CCOCC2)CCN(c2nnc(CC3CCCC3)n2CCCOC(F)F)C1 |
ZINC000929617232 | C=CC1CCN(Cc2cc(C)nnc2C)CC1 |
ZINC000012728630 | CCOc1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 |
ZINC001788918496 | COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4oc(C)nc4C)[C@H]3C2)C1 |
ZINC000618535324 | CCC1(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCC1 |
ZINC001534152637 | COC(=O)[C@H](C)[C@H](NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)c1ccccc1 |
ZINC001287748992 | C=CCOCC(=O)NC[C@@H](CO)NC(=O)C1(C)CCOCC1 |
ZINC000750094522 | O=[N+]([O-])c1cccc([C@@H](O)CN2CCc3cc(Cl)cc(Cl)c3C2)c1 |
ZINC001235104563 | Clc1c[nH]c2cccc(CN3CCC4(CCNC4)CC3)c12 |
ZINC001727360676 | CCC1(Cn2c(COc3ccccc3F)nnc2N2CCC(CO)CC2)CCC1 |
ZINC001672599480 | CO[C@@H](CNC(=O)NCC1(c2ccc(Br)s2)CCC1)C1CCCC1 |
ZINC000908995010 | COC1(C[C@H](NC(=O)NC[C@H]2OCCc3ccccc32)C(=O)O)CCC1 |
ZINC000193352025 | CN(C(=O)Cn1cccn1)c1ccc(F)cc1 |
ZINC000722829160 | Cn1cc([C@H](C[C@@H]2CC2(C)C)NN)cn1 |
ZINC000592361284 | CCOC(=O)c1ccc(S[C@@H]2CCOC2)c(F)c1 |
ZINC001076819990 | CN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)CC3CCOCC3)C2)C1=O |
ZINC000051251952 | CCCCN(CCO)CC1(CNC(C)(C)C)CCCC1 |
ZINC000694219526 | CN[C@H](c1ccc(C(F)(F)F)nc1)[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 |
ZINC001367139734 | CC[C@H](CNC(=O)c1ccc(OC)cc1)NCc1c(C)noc1C |
ZINC001296520930 | CCO[C@]1(c2nnc(N(C)c3cccc(C)c3)n2C[C@@H](C)N2CCOCC2)CCOC1 |
ZINC001613193580 | CC[C@@H](C)c1nnc(N(CCCCO)C2CC2)n1C[C@H]1NC(=O)CC1(C)C |
ZINC000974837609 | Cc1nc(C)c(C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)C4CC4)[C@@H]3C2)o1 |
ZINC001401110371 | CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)CNC(=O)c1ncn(C)n1 |
ZINC001198708950 | Cc1cccc(NC(=S)NC[C@@H]2CCC(=O)N(Cc3ccccc3)C2)c1 |
ZINC000329568981 | C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H](n2cncn2)C1 |
ZINC000257190910 | Cc1noc([C@@]23CN(Cc4cccc(C(=O)O)c4)C[C@@H]2CCN(C(=O)C(C)C)C3)n1 |
ZINC000984928910 | CC[C@@H]1[C@@H](NC(=O)c2nc(C)c[nH]2)CCN1C(=O)c1cnnn1C |
ZINC000070393192 | N/C(CNC(=O)[C@H]1COc2ccccc21)=N\O |
ZINC001715088279 | CCCNCC1(NC(=O)CCn2cncn2)CCCC1 |
ZINC000246908995 | CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C)C12CCCC2 |
ZINC000306677470 | CC[C@H]1NCC(=O)N1CCF |
ZINC001200715355 | O=C1[C@@H](NCc2cnn(C3CCC3)c2)CCCN1c1ccccc1Cl |
ZINC000055080147 | CC(C)CN1CCN(CC(=O)c2cc(Cl)ccc2Cl)CC1 |
ZINC000113201542 | CCc1csc([C@@H]2CCCN(C(=O)CSC[C@@H]3CCCCO3)C2)n1 |
ZINC000226390252 | CSCCNCCCN(C)C(C)C |
ZINC000608959001 | COc1ccccc1[C@H](CNC(=O)CSC[C@@H]1CCCCO1)N1CCCCC1 |
ZINC001277026240 | Cc1cc(F)cc(CN2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)c1O |
ZINC001700624380 | CC#CCN1C[C@@]2(C)CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@@]2(C)C1 |
ZINC001137262634 | O=C(CSc1ccc(C(F)(F)F)cn1)N1CC(Cc2ccccc2OC(F)(F)F)C1 |
ZINC000558511735 | C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1cccc2c1CNC2=O |
ZINC001783425337 | CCn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c(Cl)cncc4Cl)[C@H]3C2)cc1C |
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