ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1933364 | Cc1cc(NC(=O)NCC2CCOC2C(C)(C)C)ccn1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][Ring2][Ring1][Ring2] | Cc1cc6ccn1.C18CCOC17.C7(C)(C)C.C34=O.N36.N45.C58 |
1933365 | Cc1cc2cc[nH]c2cc1NC(=O)NC1(CCO)CCOCC1 | [C][C][=C][C][C][=C][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][C][O][C][C][O][C][C][Ring1][=Branch2] | Cc1cc2cc[nH]c2cc16.C157CCOCC1.C34=O.C7CO.N36.N45 |
1933366 | CCc1c(C)nc2ccccc2c1NC(=O)Cn1ccnn1 | [C][C][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=C][N][=N][Ring1][Branch1] | c16c(C)nc2ccccc2c14.n15ccnn1.C3(=O)C5.CC6.N34 |
1933367 | NC(=O)c1c(F)cccc1OCCc1ccc2c(c1)CCO2 | [N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][O][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | c16ccc2c(c1)CCO2.c15c4cccc1F.NC5=O.C3C6.O34 |
1933368 | CC1(CO)CCCN1S(=O)(=O)c1ccc(C#N)cc1 | [C][C][Branch1][Ring1][C][O][C][C][C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] | S2(=O)(=O)c1ccc(C#N)cc1.CC13CCCN12.C3O |
1933369 | CC(C)Cc1ncc(CNS(=O)(=O)C2CCOC2C)s1 | [C][C][Branch1][C][C][C][C][=N][C][=C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][S][Ring1][S] | S4(=O)(=O)C1CCOC1C.c15ncc6s1.CC(C)C5.C36.N34 |
1933370 | Nc1nncn1S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl | [N][C][=N][N][=C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][O][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl] | Nc1nncn1S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl |
1933371 | CC(Oc1cccc(F)c1)C(=O)NCc1nc(-c2ccncc2)no1 | [C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c15cccc(F)c1.c17nc8no1.c18ccncc1.CC4C3=O.O45.N36.C67 |
1933376 | Cc1cc(C(=O)N(C2CC2)C(C)c2ccccc2Cl)c(C)o1 | [C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Branch1][C][C][O][Ring2][Ring1][Branch1] | Cc1cc6c(C)o1.c17ccccc1Cl.C36=O.N345.C15CC1.C47C |
1933382 | CC1CCCC(C)C1NC(=O)C1CC(=O)N(C2CCCC2)C1 | [C][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O] | CC1CCCC(C)C14.C15CC(=O)N6C1.C16CCCC1.C35=O.N34 |
1933383 | Cc1nn(C)c2ncc(C(=O)N(C)C(C)c3ccccc3Cl)cc12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | Cc1nn(C)c2ncc6cc12.c17ccccc1Cl.C46=O.N45C.C57C |
1933387 | COc1ccc(OC)c(CC(=O)NCc2cccc(C(N)=O)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] | c14ccc5c8c1.c19cccc7c1.C8C3=O.C7(N)=O.CO4.O5C.N36.C69 |
1933388 | Cc1nc(C(=O)N(C)C(C)c2ccco2)nn1-c1ccc(Cl)cc1 | [C][C][=N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nc5nn17.c17ccc(Cl)cc1.c16ccco1.C35=O.N34C.C46C |
1933389 | COCc1ccc(C(=O)N2CC(C)OCC2C)o1 | [C][O][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][C][Ring1][#Branch1][C][O][Ring1][#C] | N13CC(C)OCC1C.c16ccc5o1.C35=O.CO4.C46 |
1933391 | CNC(=O)c1cccc(CNC(=O)Cc2cc(OC)ccc2OC)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Branch1] | c1%10cc5ccc16.c18cccc9c1.C4(=O)C%10.C38=O.CN3.C79.N47.O5C.O6C |
1933392 | CCN(C(=O)Cc1cc(OC)ccc1OC)C1CCCC1 | [C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][C][C][C][C][Ring1][Branch1] | c17cc3ccc14.C16CCCC1.C2(=O)C7.N256.CC5.O3C.O4C |
1933394 | CC(C)n1cc(CN(C)C(=O)c2c[nH]nc2-c2ccccc2F)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring2][Ring1][=Branch1] | c18ccccc1F.n16cc7cn1.c15c[nH]nc18.CC6C.N34C.C35=O.C47 |
1933395 | Cc1cc(C(=O)N2CCOCC(O)C2)c2ccc(C)c(C)c2n1 | [C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][C][O][C][Ring1][Branch2][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch1] | Cc1cc4c2ccc(C)c(C)c2n1.N13CCOCC(O)C1.C34=O |
1933396 | CC(C)Oc1ccccc1NC(=O)N(C)Cc1noc(C2CC2)n1 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2] | c16ccccc18.c19noc%10n1.CC5C.C34=O.N47C.C1%10CC1.O56.N38.C79 |
1933397 | CC(C)(C#N)c1ccc(-c2cncc(C(=O)N3CCCC3)n2)cc1 | [C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.c17cncc5n1.CC6(C)C#N.N14CCCC1.C45=O |
1933398 | O=C(c1ccnc(-n2cnnc2)c1)N1CCCC1c1ccccc1 | [O][=C][Branch2][Ring1][C][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccnc5c1.N13CCCC16.c16ccccc1.n15cnnc1.O=C34 |
1933399 | CCN(Cc1ccncc1)C(=O)C1Cc2ccccc2C(=O)N1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O] | C16Cc2ccccc2C(=O)N1.c17ccncc1.N345.C36=O.CC4.C57 |
1933400 | CCCN1CC(NC(=O)Nc2cc(F)cc(F)c2Cl)CC1=O | [C][C][C][N][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl][C][C][Ring2][Ring1][C][=O] | c15cc(F)cc(F)c1Cl.N17CC6CC1=O.CCC7.C34=O.N36.N45 |
1933401 | COc1cccc(OCC(=O)Nc2ccccc2N2CCOCC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | c15cccc6c1.c17ccccc18.N18CCOCC1.C4C3=O.CO5.O46.N37 |
1933403 | CC(=O)Nc1cccc(NC(=O)NC(C)Cc2ccccc2F)c1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][Ring2][C] | c17cccc8c1C.c19ccccc1F.C6(C)C9.CC3=O.C45=O.N37.N48.N56 |
1933404 | CNC(=O)Cc1ccc(NC(=O)NC(C)Cc2ccccc2F)cc1 | [C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c19ccccc1F.C3(=O)C8.C6(C)C9.C45=O.CN3.N47.N56 |
1933405 | CC(C)Oc1ncccc1NC(=O)Nc1cnn(CC2CCCO2)c1 | [C][C][Branch1][C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][O] | c16ncccc17.c18cnn9c1.C1%10CCCO1.CC5C.C34=O.O56.N37.N48.C9%10 |
1933406 | CCCNC(=O)c1ccc(NC(=O)N(CCO)C2CC2)cc1Cl | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][Ring1][Ring1][C][=C][Ring1][S][Cl] | c1%10ccc8cc1Cl.CCC6.C3%10=O.C45=O.N579.C7CO.C19CC1.N36.N48 |
1933407 | CCC(C)NC(=O)c1ccc(NC(=O)N(CCO)C2CC2)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][Ring1][Ring1][C][=C][Ring1][S] | c1%10ccc8cc1.CCC6C.C3%10=O.C45=O.N579.C7CO.C19CC1.N36.N48 |
1933408 | CCN(C(=O)Cn1c(C)csc1=O)c1ccc(C)cc1C | [C][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] | c14ccc(C)cc1C.n15c(C)csc1=O.C2(=O)C5.N234.CC3 |
1933409 | CCN(C(=O)Cn1c(C)csc1=O)c1ccc(F)c(F)c1 | [C][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.n15c(C)csc1=O.C2(=O)C5.N234.CC3 |
1933410 | CCN(C(=O)Cn1c(C)csc1=O)c1cc(C)ccc1C | [C][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] | c14cc(C)ccc1C.n15c(C)csc1=O.C2(=O)C5.N234.CC3 |
1933411 | O=C(NCCO)C1CCCN1S(=O)(=O)c1ccccc1 | [O][=C][Branch1][Branch1][N][C][C][O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.C15CCCN14.O=C25.C3CO.N23 |
1933412 | CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCO)cc(C3CC3)nc21 | [C][C][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][#C][Ring2][Ring1][Branch1] | n17c(=O)[nH]c(=O)c2c6cc8nc21.CCC7.C46=O.C5CO.C18CC1.N45 |
1933413 | CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCO)cc(C3CC3)nc21 | [C][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][S][Ring2][Ring1][=Branch1] | n17c(=O)[nH]c(=O)c2c6cc8nc21.C5CCO.C46=O.C18CC1.CC7.N45 |
1933414 | O=C(NCCCO)C1CCCN1S(=O)(=O)c1ccccc1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.C15CCCN14.C3CCO.O=C25.N23 |
1933415 | CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCO)cc(C3CC3)nc21 | [C][C][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][S][Ring2][Ring1][=Branch1] | n17c(=O)[nH]c(=O)c2c6cc8nc21.C5CCO.CCC7.C46=O.C18CC1.N45 |
1933416 | Cc1ccc(-c2nc(C)sc2CC(=O)NCCCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.c16nc(C)sc15.C5C3=O.C4CCO.N34 |
1933418 | O=C(NCCCO)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] | C128CC3CC(CC(C3)C1)C2.C17CCCN15.C6CCO.O=C47.C58=O.N46 |
1933419 | Cc1ccc(Sc2ncccc2C(=O)NCCCO)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7c(C)c1.c16ncccc15.C4CCO.C35=O.S67.N34 |
1933420 | O=C(NCCCO)c1cnc2ccccc2c1C(F)(F)F | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c15cnc2ccccc2c16.C4CCO.C6(F)(F)F.O=C35.N34 |
1933421 | Cc1ccc(Sc2ncccc2C(=O)NCCCO)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc7cc1C.c16ncccc15.C4CCO.C35=O.S67.N34 |
1933422 | O=C(NCCCO)C1(c2ccc(F)cc2)CCCC1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16ccc(F)cc1.C156CCCC1.C4CCO.O=C35.N34 |
1933423 | O=C(NCCCO)c1cccnc1Sc1ccccc1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccnc15.c16ccccc1.C3CCO.O=C24.N23.S56 |
1933424 | Cc1cc(-c2cc(C(=O)NCCCO)c3c(C)noc3n2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][N][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][=C][C][Branch1][C][C][=N][O][C][Ring1][=Branch1][=N][Ring1][P][=C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | c17cc6c2c(C)noc2n1.Cc1cc7c(C)o1.C5CCO.C46=O.N45 |
1933425 | COc1ccc2nc(C(=O)NCCCO)ccc2c1 | [C][O][C][=C][C][=C][N][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][Ring1][=N][=C][Ring1][P] | c14ccc2nc6ccc2c1.C5CCO.C36=O.CO4.N35 |
1933426 | O=C(NCCCO)c1cc(-c2ccco2)nn1-c1ccccc1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc7nn16.c16ccccc1.c17ccco1.C4CCO.O=C35.N34 |
1933427 | Cc1nc2cc(F)ccc2cc1C(=O)NCCCO | [C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][O] | Cc1nc2cc(F)ccc2cc15.C4CCO.C35=O.N34 |
1933428 | Cc1ccc2nc(C)c(C(=O)NCCCO)cc2c1 | [C][C][=C][C][=C][N][=C][Branch1][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][=C][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2nc(C)c5cc2c1.C4CCO.C35=O.N34 |
1933429 | O=C(NCCCO)c1occc1CSc1ccccc1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][O][C][=C][C][=Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15occc16.c17ccccc1.C3CCO.O=C25.N23.C46.S47 |
1933432 | CC(C)c1cc(C(=O)NCCCO)c2ccccc2n1 | [C][C][Branch1][C][C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][P] | c16cc5c2ccccc2n1.C4CCO.CC6C.C35=O.N34 |
1933433 | O=C(NCCCO)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][Cl] | c16cc(S5(=O)=O)ccc1Cl.N15CCCC1.C4CCO.O=C36.N34 |
1933434 | O=C(Cn1nc2ccccn2c1=O)N(CCO)Cc1ccccc1 | [O][=C][Branch1][S][C][N][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][=Branch2][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16nc2ccccn2c1=O.c17ccccc1.O=C3C6.N345.C4CO.C57 |
1933435 | Cc1nn(C)c2ncc(C(=O)N(CCO)Cc3ccccc3)cc12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | Cc1nn(C)c2ncc7cc12.c18ccccc1.C47=O.N456.C5CO.C68 |
1933436 | Cc1ccc(-c2cc(C(=O)N(CCO)Cc3ccccc3)[nH]n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc9cc1.c19cc7[nH]n1.c18ccccc1.C47=O.N456.C5CO.C68 |
1933437 | O=C(c1cc(-c2ccccc2)on1)N(CCO)Cc1ccccc1 | [O][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cc8on1.c18ccccc1.c17ccccc1.O=C36.N345.C4CO.C57 |
1933438 | CCN(CCO)C(=O)C1CCCN1S(=O)(=O)c1ccccc1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1.C16CCCN15.N234.C4CO.C26=O.CC3 |
1933439 | CCN(CCO)C(=O)c1cccnc1Sc1ccc(C)cc1C | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] | c17ccc(C)cc1C.c15cccnc16.N234.C4CO.C25=O.CC3.S67 |
1933440 | CCN(CCO)C(=O)c1cccnc1Sc1ccc(C)c(C)c1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] | c17ccc(C)c(C)c1.c15cccnc16.N234.C4CO.C25=O.CC3.S67 |
1933441 | CCN(CCO)C(=O)c1cccnc1Sc1ccccc1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccnc16.c17ccccc1.N234.C4CO.C25=O.CC3.S67 |
1933442 | CCN(CCO)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][P][=Ring1][=Branch1] | c16cc7nc2onc(C)c12.c17cc(C)oc1C.N345.C5CO.C36=O.CC4 |
1933443 | CCN(CCO)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cc8nn17.c17ccccc1.c18ccco1.N345.C5CO.C36=O.CC4 |
1933444 | CCN(CCO)C(=O)c1cc2ccc(F)cc2nc1C | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C] | c16cc2ccc(F)cc2nc1C.N345.C5CO.C36=O.CC4 |
1933445 | CCN(CCO)C(=O)c1cc2cc(C)ccc2nc1C | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C] | c16cc2cc(C)ccc2nc1C.N345.C5CO.C36=O.CC4 |
1933446 | CCN(CCO)C(=O)c1cc2ccc(OC)cc2nc1C | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Ring1][N][C] | c17cc2ccc4cc2nc1C.N356.C6CO.C37=O.CC5.O4C |
1933447 | Cc1ccc(C)n1-c1sccc1C(=O)NCCCO | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O] | Cc1ccc(C)n15.c15sccc14.C3CCO.C24=O.N23 |
1933448 | CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)O)cc(C3CC3)nc21 | [C][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][S][Ring2][Ring1][=Branch1] | n17c(=O)[nH]c(=O)c2c6cc8nc21.C5C(C)O.C46=O.C18CC1.CC7.N45 |
1933449 | CC(O)CNC(=O)C1CCCN1S(=O)(=O)c1ccccc1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.C15CCCN14.CC(O)C3.C25=O.N23 |
1933450 | CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)O)cc(C3CC3)nc21 | [C][C][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][S][Ring2][Ring1][=Branch1] | n17c(=O)[nH]c(=O)c2c6cc8nc21.C5C(C)O.CCC7.C46=O.C18CC1.N45 |
1933451 | Cc1ccc(-c2nc(C)sc2CC(=O)NCC(C)O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.c16nc(C)sc15.C5C3=O.C4C(C)O.N34 |
1933453 | CC(O)CNC(=O)C1(c2ccc(Br)cc2)CCCC1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16ccc(Br)cc1.C156CCCC1.CC(O)C4.C35=O.N34 |
1933454 | CC(O)CNC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] | C128CC3CC(CC(C3)C1)C2.C17CCCN15.CC(O)C6.C47=O.C58=O.N46 |
1933455 | CC(O)CNC(=O)c1cnc2ccccc2c1C(F)(F)F | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c15cnc2ccccc2c16.CC(O)C4.C6(F)(F)F.C35=O.N34 |
1933456 | CC(O)CNC(=O)C1(c2ccc(F)cc2)CCCC1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16ccc(F)cc1.C156CCCC1.CC(O)C4.C35=O.N34 |
1933457 | CC(O)CNC(=O)c1cccnc1Sc1ccccc1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccnc15.c16ccccc1.CC(O)C3.C24=O.N23.S56 |
1933458 | Cc1cc(-c2cc(C(=O)NCC(C)O)c3c(C)noc3n2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][=C][C][Branch1][C][C][=N][O][C][Ring1][=Branch1][=N][Ring1][P][=C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | c17cc6c2c(C)noc2n1.Cc1cc7c(C)o1.C5C(C)O.C46=O.N45 |
1933460 | COc1ccc2nc(C(=O)NCC(C)O)ccc2c1 | [C][O][C][=C][C][=C][N][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][=C][C][Ring1][=N][=C][Ring1][P] | c14ccc2nc6ccc2c1.C5C(C)O.C36=O.CO4.N35 |
1933461 | CC(O)CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc7nn16.c16ccccc1.c17ccco1.CC(O)C4.C35=O.N34 |
1933462 | CC(O)CNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n17c8nc2ccccc21.c15ccccc1.CC(O)C6.C3(=O)C7.N36.C48.O45 |
1933463 | Cc1nc2cc(F)ccc2cc1C(=O)NCC(C)O | [C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O] | Cc1nc2cc(F)ccc2cc15.C4C(C)O.C35=O.N34 |
1933464 | Cc1ccc2nc(C)c(C(=O)NCC(C)O)cc2c1 | [C][C][=C][C][=C][N][=C][Branch1][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][=C][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2nc(C)c5cc2c1.C4C(C)O.C35=O.N34 |
1933465 | CC(O)CNC(=O)c1occc1CSc1ccccc1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15occc16.c17ccccc1.CC(O)C3.C25=O.N23.C46.S47 |
1933466 | COc1ccc2cc(C(=O)NCC(C)O)c(C)nc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | c14ccc2cc6c(C)nc2c1.C5C(C)O.C36=O.CO4.N35 |
1933468 | CC(O)CNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C] | c16ccc(S5(=O)=O)cc1.C3(=O)CC6.N15CCCC1.CC(O)C4.N34 |
1933469 | CC(O)CNC(=O)c1cc(C(C)C)nc2ccccc12 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c15cc6nc2ccccc12.CC(O)C4.C35=O.C6(C)C.N34 |
1933470 | CC(O)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][Cl] | c16cc(S5(=O)=O)ccc1Cl.N15CCCC1.CC(O)C4.C36=O.N34 |
1933471 | Cc1ccc(C)n1-c1sccc1C(=O)NCC(C)O | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O] | Cc1ccc(C)n15.c15sccc14.C3C(C)O.C24=O.N23 |
1933472 | CCCn1nc(C)c(NC(=O)N2CCCC2c2ccccn2)c1C | [C][C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C] | n16nc(C)c5c1C.N14CCCC17.c17ccccn1.CCC6.C34=O.N35 |
1933473 | Cc1ccc2nc(C(=O)NC(c3ccccn3)C(F)(F)F)cn2c1 | [C][C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] | Cc1ccc2nc6cn2c1.C57C(F)(F)F.c17ccccn1.C46=O.N45 |
1933474 | CC(=O)N1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC(O)C1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][C][C][Branch1][C][O][C][Ring2][Ring1][=Branch1] | N14CCN5CC(O)C1.c16cnc7nc1.c17cccnc1.CC4=O.C56=O |
1933477 | Cc1nnc2n1CC(NC(=O)c1cc(Cl)cc3cccnc13)CC2 | [C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | c16cc(Cl)cc2cccnc12.Cc1nnc2n1CC5CC2.C46=O.N45 |
1933478 | CCc1nnc2n1CC(NC(=O)c1cnn3cccnc13)CC2 | [C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C] | c17nnc2n1CC5CC2.c16cnn2cccnc12.C46=O.CC7.N45 |
1933479 | CC(C)c1nnc2n1CC(NC(=O)c1cccc3cccnc13)CC2 | [C][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c17nnc2n1CC5CC2.c16cccc2cccnc12.CC7C.C46=O.N45 |
1933480 | CC(C)c1nnc2n1CC(NC(=O)Cn1nnc3ccccc31)CC2 | [C][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | c17nnc2n1CC5CC2.n16nnc2ccccc21.C4(=O)C6.CC7C.N45 |
1933481 | Cc1nnc2n1CC(NC(=O)c1ccc(Cn3cccn3)o1)CC2 | [C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][O][Ring1][O][C][C][Ring2][Ring1][Ring2] | Cc1nnc2n1CC5CC2.c16ccc8o1.n17cccn1.C46=O.N45.C78 |
1933482 | Cc1ccc(-c2nc(C(=O)NC3CCc4nnc(C)n4C3)cs2)o1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][Ring1][#Branch2][=C][S][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1] | C16CCc2nnc(C)n2C1.Cc1ccc8o1.c18nc7cs1.C57=O.N56 |
1933484 | CCc1nnc2n1CC(NC(=O)c1ccc(Cn3cccn3)o1)CC2 | [C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][O][Ring1][O][C][C][Ring2][Ring1][Ring2] | c18nnc2n1CC5CC2.c16ccc9o1.n17cccn1.C46=O.CC8.N45.C79 |
1933486 | CCc1nnc2n1CC(NC(=O)CCc1ccc3c(c1)OCO3)CC2 | [C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | c16nnc2n1CC5CC2.c17ccc2c(c1)OCO2.C4(=O)CC7.CC6.N45 |
1933488 | Cc1oc(-c2ccccc2)nc1C(=O)NC1CCc2nnc(C)n2C1 | [C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][Ring1][#Branch2] | C14CCc2nnc(C)n2C1.Cc1oc6nc15.c16ccccc1.C35=O.N34 |
1933489 | Cc1nnc2n1CC(NC(=O)CCCOc1ccc(F)cc1)CC2 | [C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2] | Cc1nnc2n1CC6CC2.c15ccc(F)cc1.C3(=O)CCC4.N36.O45 |
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