ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
18341 | COc1ccc(NC(=O)c2c(NC(=O)C(C)C)sc(C)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][C][Branch1][C][C][=C][Ring1][N][C][C][=C][Ring2][Ring1][=Branch1] | c18c6sc(C)c1C.c15ccc7cc1.C4(=O)C(C)C.C38=O.CO5.N37.N46 |
18342 | CCOC(=O)c1c(NC(=O)c2ccco2)sc(CC)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][Branch1][Ring1][C][C][=C][Ring1][#C][C] | c18c6sc9c1C.c17ccco1.C38=O.C47=O.CC5.O35.N46.C9C |
18343 | CCOC(=O)c1c(CC(C)C)csc1NC(C)=O | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][S][C][=Ring1][=Branch2][N][C][Branch1][C][C][=O] | c16c7csc15.C7C(C)C.C26=O.C3(C)=O.CC4.O24.N35 |
18344 | CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | n17c(C)c6c2cc(O)ccc21.c15ccc7cc1.C6(C)=O.CC4.O45 |
18345 | CC(NC(=O)c1ccccc1)C(O)c1ccccc1 | [C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.CC3C5O.C24=O.N23 |
18347 | CC(NS(=O)(=O)c1ccccc1)c1ccccc1 | [C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c14ccccc1.CC24.N23 |
18349 | CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCC3 | [C][C][=Branch1][C][=O][N][N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][C][C][C][Ring1][=Branch2] | CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCC3 |
18350 | CC(CO)NC(=O)c1ccccc1C(=O)NC(C)CO | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O] | c16ccccc17.CC4CO.C5(C)CO.C26=O.C37=O.N24.N35 |
18351 | COC(=O)c1c(O)cn(-c2cc(C)cc(C)c2)c1C | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][=C][N][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][=C][C] | c14c(O)cn5c1C.c15cc(C)cc(C)c1.C34=O.CO3 |
18352 | CCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | c18ccc9cc1.c17ccccc1.S6(C)(=O)=O.C38=O.N567.CC4.N34.C59 |
18353 | CC(C)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | c18ccc9cc1.c17ccccc1.S6(C)(=O)=O.CC4C.C38=O.N567.N34.C59 |
18354 | CN(C)C(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | c17ccc8cc1.c16ccccc1.S5(C)(=O)=O.CN3C.C37=O.N456.C48 |
18355 | COC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.c17ccccc1.S4(C)(=O)=O.C26=O.N345.CO2.C37 |
18356 | CCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccc16.c18ccccc1.S5(C)(=O)=O.C27=O.N456.CC3.N23.C48 |
18357 | CC(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccc16.c18ccccc1.S5(C)(=O)=O.CC3C.C27=O.N456.N23.C48 |
18358 | CN(C)C(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c18ccccc1.S5(C)(=O)=O.CN3C.C37=O.N456.C48 |
18359 | CCOc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.N13CCCC1.C6C3=O.S7(C)(=O)=O.N678.CC4.O45 |
18360 | CCOc1ccc(N(CC(=O)OC)S(C)(=O)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][S] | c14ccc7cc1.C5C2=O.S6(C)(=O)=O.N567.CC3.O34.O2C |
18361 | CC(C)(C)c1ccc(S(=O)(=O)CCc2ccncc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c13ccc(S(=O)(=O)CC4)cc1.c14ccncc1.CC3(C)C |
18362 | COc1ccccc1OC1=NS(=O)(=O)c2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | O4C1=NS(=O)(=O)c2ccccc21.c13ccccc14.CO3 |
18363 | O=C(NCc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c16ccccc1Cl.C15CC(=O)N7C1.c17ccccc1.O=C35.N34.C46 |
18364 | CC(O)CNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(Br)cc1.CC(O)C4.C35=O.N34 |
18365 | COc1ccccc1Nc1nc(N2CCOCC2)ncc1F | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][F] | c14nc5ncc1F.c13ccccc16.N15CCOCC1.CO3.N46 |
18366 | Cc1ccc(N2CC(C(=O)NCc3ccccc3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.N18CC6CC1=O.c17ccccc1.C46=O.N45.C57 |
18367 | CC(NC1=NS(=O)(=O)c2ccccc21)c1ccccc1 | [C][C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N3C1=NS(=O)(=O)c2ccccc21.c14ccccc1.CC34 |
18368 | CC(=O)Nc1cccc(OC2=NS(=O)(=O)c3ccccc32)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C] | O5C1=NS(=O)(=O)c2ccccc21.c16cccc5c1.CC4=O.N46 |
18372 | COc1ccc(CCNC(=O)NC2CCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c15ccc9cc16.C18CCCCC1.C9C7.C34=O.CO5.N37.N48.O6C |
18373 | CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.N14CCN6CC1.c16ccccc1.CN5C.C47=O |
18374 | CN(C)c1ccc(C(=O)NCc2ccccn2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc6cc1.c17ccccn1.CN5C.C36=O.N34.C47 |
18375 | CN(C)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | N14CCc2ccccc2C1.c15ccc6cc1.CN5C.C46=O |
18378 | CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2C | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][N][Ring1][=N][C] | c13ccc2c(c1)c1cc4ccc1n2C.CC3=O.C4(C)=O |
18379 | O=C(c1cccc(Br)c1)N1CCCCC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c13cccc(Br)c1.N12CCCCC1.O=C23 |
18380 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C2(=O)C1=C(C)NC(=O)NC14.c14ccccc1F.CC3.O23 |
18381 | O=C(NC(O)C(Cl)(Cl)Cl)c1cccc(Br)c1 | [O][=C][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cccc(Br)c1.C3(O)C(Cl)(Cl)Cl.O=C24.N23 |
18382 | O=C(NCCc1c[nH]c2ccccc12)c1ccccc1F | [O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16c[nH]c2ccccc12.c15ccccc1F.O=C35.C4C6.N34 |
18384 | CS(=O)(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C] | c16cccc2ccccc12.N15CCN4CC1.CS5(=O)=O.C46=O |
18386 | CS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N14CCN3CC1.c15cccs1.CS4(=O)=O.C35=O |
18387 | CC(C)CC(=O)N1CCN(C(=O)c2cccs2)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.CC(C)CC3=O.c15cccs1.C45=O |
18388 | COc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c13ccc(S4(=O)=O)cc1.N14CCN5CC1.S5(C)(=O)=O.CO3 |
18389 | Cc1ccc(OCC(=O)N2CCN(C(=O)CC(C)C)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.N13CCN4CC1.C4(=O)CC(C)C.C5C3=O.O56 |
18390 | CS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15cccc(Cl)c1.CS4(=O)=O.C35=O |
18391 | COc1ccccc1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | c15ccccc16.N13CCN4CC1.c17ccccc1.C4(=O)C7.C36=O.CO5 |
18392 | CS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N16CCN3CC1.c15ccccc1.CS6(=O)=O.C3(=O)C4.O45 |
18393 | COc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16nc(C)cc(C)n1.C37=O.CO4.N36.O5C |
18394 | CCOC(=O)C1CCCN(C(=O)c2ccccc2NC(C)=O)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][C][Ring2][Ring1][C] | C18CCCN4C1.c19ccccc17.C38=O.C49=O.C5(C)=O.CC6.O36.N57 |
18395 | COC(=O)C1CCN(C(=O)c2ccccc2NC(C)=O)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][C][C][Ring2][Ring1][C] | C17CCN4CC1.c18ccccc16.C37=O.C48=O.C5(C)=O.CO3.N56 |
18396 | CCOC(=O)Cc1csc(NC(=O)c2ccc(NC(C)=O)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c19ccc8cc1.c1%10csc7n1.C3(=O)C%10.C49=O.C5(C)=O.CC6.O36.N47.N58 |
18397 | COC(=O)C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | C17CCN4CC1.c18ccc6cc1.C37=O.C48=O.C5(C)=O.CO3.N56 |
18398 | CC(=O)Oc1ccccc1C(=O)Nc1cc(C)on1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c14ccccc16.c15cc(C)on1.CC2=O.C36=O.O24.N35 |
18399 | CCOc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][P][O][C][C] | c16ccc9cc17.c18nc(C)cc(C)n1.C39=O.CC4.O46.N38.O57.C5C |
18400 | Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][=Branch1] | Cc1cc4no1.C3(=O)CC56.c15ccccc1.c16ccccc1.N34 |
18401 | Cc1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 | [C][C][=N][N][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][S][Ring2][Ring1][=Branch1] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1nnc5s1.C4(=O)C6.N45 |
18402 | Cc1cc(C)nc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=N][Ring2][Ring1][Branch2] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc(C)nc5n1.C4(=O)C6.N45 |
18403 | Cc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)no1 | [C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=N][O][Ring2][Ring1][=Branch1] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc5no1.C4(=O)C6.N45 |
18404 | CCC(CC)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15cnc2c1c(=O)n(C)c(=O)n2C.CCC4CC.C3(=O)C5.N34 |
18405 | COC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | c19cc5c6c7c1.C18CCN4CC1.C38=O.C49=O.CO3.O5C.O6C.O7C |
18406 | Cc1cccc(N2CCN(C(=O)N3CCOCC3)CC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Ring2][C] | Cc1cccc6c1C.N16CCN4CC1.N15CCOCC1.C45=O |
18407 | CCOC(=O)Cc1csc(NC(=O)C(C)(C)CC)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=N][Ring1][=N] | C3(=O)C(C)(C)CC.c16csc5n1.C2(=O)C6.CC4.O24.N35 |
18410 | N#Cc1ccc(Oc2cccc3cccnc23)cc1C#N | [N][#C][C][=C][C][=C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P][C][#N] | N#Cc1ccc4cc1C#N.c15cccc2cccnc12.O45 |
18411 | O=C(COC(=O)c1ccncc1)c1ccc(Br)cc1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.c15ccncc1.O=C4C3.C25=O.O23 |
18413 | CC(O)c1nc2ccccc2n1CC(=O)N1CCCCC1 | [C][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c15nc2ccccc2n14.N13CCCCC1.C4C3=O.CC5O |
18415 | CCOC(=O)c1cc2n(c1N)-c1ccccc1C2=O | [C][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][Branch1][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] | c15cc2n(c1N)-c1ccccc1C2=O.C35=O.CC4.O34 |
18417 | Cc1ccnc(NC(=O)C2COc3ccccc3O2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | C16COc2ccccc2O1.Cc1ccnc5c1.C46=O.N45 |
18418 | COC(CNS(=O)(=O)c1ccccc1)c1ccccc1 | [C][O][C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccccc1.C25C3.CO2.N34 |
18419 | COc1ccc(C2(C(=O)NC3CCCCC3)CCOCC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][O][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c15ccc9cc16.C189CCOCC1.C17CCCCC1.C48=O.CO5.N47.O6C |
18420 | COC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 | [C][O][C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.c15ccccc1.C25C3.CO2.N34 |
18422 | COc1cc(SC)ccc1C(=O)Nc1cccc(C)n1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1] | c13cc6ccc15.c14cccc(C)n1.C25=O.CO3.S6C.N24 |
18423 | COc1cc(SC)ccc1C(=O)Nc1ccccn1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13cc6ccc15.c14ccccn1.C25=O.CO3.S6C.N24 |
18425 | CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P] | S6(=O)(=O)c1ccc5cc1.C17CCCN6C1.C37=O.CC4.O34.O5C |
18426 | COC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Ring2][Ring1][C] | S4(=O)(=O)c1c(C)cc(C)cc1C.C15CCN4CC1.C35=O.CO3 |
18427 | CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][S] | c14cc2c(cc15)OCCO2.c16ccccc1.CC3=O.C56=O.N34 |
18428 | CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][C][O][Ring1][P] | c14cc2c(cc15)OCCO2.c16ccccc1Cl.CC3=O.C56=O.N34 |
18429 | Cc1ccc(C(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16nc7n[nH]1.c17ccco1.C5(=O)C4.S46 |
18430 | O=C(CSc1nc(-c2ccco2)n[nH]1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.c15nc6n[nH]1.c16ccco1.O=C4C3.S35 |
18431 | COc1ccc(C(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c17nc8n[nH]1.c18ccco1.C6(=O)C5.CO4.S57 |
18432 | COc1ccc(C(=O)CSc2nc(-c3ccco3)n[nH]2)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C] | c14ccc6cc1C.c17nc8n[nH]1.c18ccco1.C6(=O)C5.CO4.S57 |
18433 | COc1ccc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][=C][Ring2][Ring1][Branch1][C] | c14ccc6cc1C.c17nc8n[nH]1.c18ccncc1.C6(=O)C5.CO4.S57 |
18434 | O=C(CSc1nc(-c2ccncc2)n[nH]1)c1ccc(O)cc1O | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14ccc(O)cc1O.c15nc6n[nH]1.c16ccncc1.O=C4C3.S35 |
18435 | COC(=O)CSc1nc(-c2ccncc2)n[nH]1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O] | c15nc6n[nH]1.c16ccncc1.C3(=O)C4.CO3.S45 |
18436 | CCOC(=O)CSc1nc(-c2ccncc2)n[nH]1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O] | c16nc7n[nH]1.c17ccncc1.C3(=O)C5.CC4.O34.S56 |
18437 | O=C(CSc1nc(-c2ccncc2)n[nH]1)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1] | c15nc6n[nH]1.c16ccncc1.N13CCCCC1.O=C3C4.S45 |
18438 | Cc1nnc(C)c2c(C)n(-c3ccccc3N)c(C)c12 | [C][C][=N][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | Cc1nnc(C)c2c(C)n4c(C)c12.c14ccccc1N |
18439 | COc1ccc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c17cc5c2c(C)oc(C)c2c(=O)c1.c14ccc7cc16.CO4.O5C.O6C |
18440 | COc1cc2c(c(O)c1OC)C(=O)C(OC)CCC2 | [C][O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][C][C][Ring1][#C] | c14cc2c(c(O)c15)C(=O)C3CCC2.CO4.O5C.O3C |
18441 | COc1ccc(OCC2Cn3c(nc4c3c(=O)[nH]c(=O)n4C)O2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][C][N][C][=Branch2][Ring1][Ring1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | C18Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1.c16ccc7cc1.CO6.O57.C58 |
18442 | CC(C)OCC1Cn2c(nc3c2c(=O)n(C)c(=O)n3C)O1 | [C][C][Branch1][C][C][O][C][C][C][N][C][=Branch2][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][Ring1][S] | C16Cn2c(nc3c2c(=O)n(C)c(=O)n3C)O1.CC4C.O45.C56 |
18443 | CCc1ccc(N2CC(O)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][Branch1][C][O][C][N][C][Ring1][#Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][#Branch1] | N14CC(O)Cn2c1nc1c2c(=O)[nH]c(=O)n1C.c15ccc4cc1.CC5 |
18444 | NC(=O)c1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c16nnc4c2ccccc12.c15ccc6cc1.N14CCCCC1.NC5=O |
18445 | C=CCn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c3nc2c1c(=O)n(C)c(=O)n2C.C14CCCCC1.C=CC5.N34 |
18446 | Cc1ccc(-c2c(C#N)c(N)n(N)c(=O)c2C#N)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][N][Branch1][C][N][C][=Branch1][C][=O][C][=Ring1][O][C][#N][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | c13c(C#N)c(N)n(N)c(=O)c1C#N.Cc1ccc3c(C)c1 |
18447 | COC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc(S4(=O)=O)cc1.N14CCC(C)CC1.C35=O.CO3 |
18448 | COC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][S] | c15ccc(S4(=O)=O)cc1.N14CCCCC1C.C35=O.CO3 |
18449 | CC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | c14ccc(S3(=O)=O)cc1.N13CCC(C)CC1.CC4=O |
18450 | CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][S] | c14ccc(S3(=O)=O)cc1.N13CCCCC1C.CC4=O |
18452 | COc1ccc(Cl)cc1NC1=NS(=O)(=O)c2ccccc21 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N4C1=NS(=O)(=O)c2ccccc21.c13ccc(Cl)cc14.CO3 |
18454 | NC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2ccccc2c1.c15ccccc14.NC5=O.C36=O.N34 |
18455 | CC(=O)Nc1ccccc1NC(=O)c1ccc2ccccc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c17ccc2ccccc2c1.c15ccccc16.CC3=O.C47=O.N35.N46 |
18456 | COC(=O)C(NC(=O)c1ccccc1)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c16ccccc1.C2(=O)C46.C35=O.CO2.N34 |
18457 | COC(=O)c1ccc(-c2nc(N)c3c(=O)oc4ccccc4c3n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][=N][C][Branch1][C][N][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c17nc(N)c2c(=O)oc3ccccc3c2n1.c16ccc7cc1.C56=O.CO5 |
18459 | CC(=O)Nc1ccc(C(C)(C)c2ccc(NC(C)=O)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c15ccc7cc1.c18ccc6cc1.C78(C)C.CC3=O.C4(C)=O.N35.N46 |
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