ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
31466 | COc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1ccc4c(C)c1.c13ccc6cc1.CO3.N56.O4C |
31467 | Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.C16CCCCCC1.C4C3=O.N45.N36 |
31470 | CCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1NC(=O)CC | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][C] | c15ccc7cc16.c18ccccc1.CCC3=O.C4(=O)CC.C78=O.N35.N46 |
31471 | COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | S6(=O)(=O)c1ccc5c(C)c1.c13ccc4c7c1.CO3.O4C.N67.O5C |
31472 | CCN(CC)C(=O)CN1C(=O)c2cccc3cccc1c23 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1] | C4(=O)CN1C(=O)c2cccc3cccc1c23.N456.CC5.C6C |
31473 | CCCn1nnc(NC(=O)c2ccc(OC)c(Br)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2][=N][Ring1][P] | c16ccc4c(Br)c1.n17nnc5n1.CCC7.C36=O.N35.O4C |
31474 | COc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][N][=O][C][=C][Ring1][#C] | c12ccc(S4(=O)=O)cc1.C3C(N)=O.N34C.CO2 |
31475 | CN(c1ccc(C(=O)NC2CCCC2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc7cc1.C16CCCC1.S4(C)(=O)=O.CN45.C37=O.N36 |
31477 | CC(O)Cc1nsc(NC(=O)c2cccs2)n1 | [C][C][Branch1][C][O][C][C][=N][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][=N] | c16nsc4n1.c15cccs1.CC(O)C6.C35=O.N34 |
31480 | CCCn1nnc(NC(=O)c2ccc(C)cc2Cl)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15ccc(C)cc1Cl.n16nnc4n1.CCC6.C35=O.N34 |
31482 | O=C(c1sc2cccc(F)c2c1Cl)N1CCOCC1 | [O][=C][Branch2][Ring1][C][C][S][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Ring1][#Branch2][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c14sc2cccc(F)c2c1Cl.N13CCOCC1.O=C34 |
31483 | CC(C)CNC(=O)c1ccccc1NC(=O)Nc1ccccc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18ccccc16.c17ccccc1.CC(C)C5.C28=O.C34=O.N25.N36.N47 |
31484 | NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C] | c17ccccc16.c18cccc5c1.c19ccccc1.NC7=O.C38=O.N36.O45.C49 |
31485 | COC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)nnn3C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring2] | c18ccc2c(c1)nnn2C.c19ccc7cc1.C49=O.C56=O.CO4.N57.N68 |
31486 | CC(C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N] | c14ccc(S7(=O)=O)cc1.C2(=O)C3.CC5C.C6(C)C.N25.O34.N67 |
31487 | Cc1cnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 | [C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][S][Ring2][Ring1][Ring1] | c17nc2ccccc2[nH]1.Cc1cnc6s1.C4(=O)C5.N46.S57 |
31488 | COc1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1Cl | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][S][Cl] | c13ccc(S4(=O)=O)c(Cl)c1Cl.N14CCOCC1.CO3 |
31489 | COc1c(Cl)cc(CO)cc1Br | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][=Branch2][Br] | c12c(Cl)cc3cc1Br.CO2.C3O |
31490 | O=C(COc1ccc(CO)cc1Cl)Nc1ccccc1 | [O][=C][Branch1][S][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][Cl][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc6cc1Cl.c15ccccc1.O=C2C3.O34.C6O.N25 |
31491 | CCCn1nnc(NC(=O)COc2ccc(Cl)c(C)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | c15ccc(Cl)c(C)c1.n17nnc6n1.C3(=O)C4.CCC7.N36.O45 |
31492 | O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.N12CCCCCC1.O=C2C3.N34 |
31493 | CCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring2] | c14ccc(S7(=O)=O)cc1.c18cc5ccc16.CC3.O34.N78.O5C.O6C |
31494 | O=C(CSc1ccc(Br)cc1)Nc1nccs1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=N][C][=C][S][Ring1][Branch1] | c15ccc(Br)cc1.c14nccs1.O=C2C3.S35.N24 |
31495 | CCc1ccccc1NC(=O)COc1ccc(NC(C)=O)cc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c18ccccc16.c15ccc7cc1.C2(=O)C4.C3(C)=O.CC8.N26.O45.N37 |
31496 | CS(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCC5CC1.N13CCCCCC1.CS4(=O)=O.C35=O |
31497 | CCOC(=O)N1CCN(C(=O)Nc2ccc3c(c2)nnn3C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring1] | c19ccc2c(c1)nnn2C.N15CCN6CC1.C45=O.C67=O.CC8.O48.N79 |
31498 | CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1cccc(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.C16CCCCC1.CS4(=O)=O.C3C2=O.N345.N26 |
31499 | CCOc1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | c14ccccc16.C17CCN5CC1.S5(C)(=O)=O.C27=O.CC3.O34.N26 |
31501 | Cc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][P] | Cc1ccc(S5(=O)=O)cc1.C4C3=O.C16CC1.N45.N36 |
31505 | COc1cc(CO)ccc1OCC(=O)Nc1ccc(F)cc1 | [C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cc7ccc15.c16ccc(F)cc1.C3C2=O.CO4.C7O.O35.N26 |
31507 | CC(=O)Nc1ccc(OCC(=O)NCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c18ccc6cc1.c19ccccc1.C5C4=O.CC3=O.N38.O56.N47.C79 |
31509 | Cc1nc2cc(NC(=O)NC3CCCCC3)ccc2o1 | [C][C][=N][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][O][Ring2][Ring1][Ring1] | Cc1nc2cc6ccc2o1.C17CCCCC1.C45=O.N46.N57 |
31511 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CCCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | N15C(=O)c2ccccc2S1(=O)=O.C14CCCCC1.O=C3C5.N34 |
31512 | COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc(S6(=O)=O)cc1.N13CCOCC1.C5C3=O.N56C.CO4 |
31513 | Cc1cccc(C)c1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | n15c6nc2ccccc21.Cc1cccc(C)c14.C3(=O)C5.C6(F)(F)F.N34 |
31514 | CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][P] | c15ccc(F)c(Cl)c1.N14CCC6CC1.CS4(=O)=O.C36=O.N35 |
31515 | Cn1nnc2cc(NC(=O)N3CCOCC3)ccc21 | [C][N][N][=N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C] | Cn1nnc2cc6ccc21.N15CCOCC1.C45=O.N46 |
31516 | COc1cccc(NC(=O)Nc2ccccc2C2CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Ring1] | c15cccc6c1.c17ccccc18.C34=O.C18CC1.CO5.N36.N47 |
31517 | Cc1ccc(NC(=O)COc2ccc(CO)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c15ccc7cc1.C3(=O)C4.N36.O45.C7O |
31518 | COc1ccc(CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c14ccc8cc1.C17CCN6CC1.S6(C)(=O)=O.C8C5.C37=O.CO4.N35 |
31519 | Cn1nnc2cc(NC(=O)N3CCC(c4ccccc4)C3)ccc21 | [C][N][N][=N][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1] | Cn1nnc2cc7ccc21.N16CCC8C1.c18ccccc1.C56=O.N57 |
31520 | COc1cccc(CO)c1OCC(=O)Nc1ccccc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccc7c15.c16ccccc1.C3C2=O.CO4.C7O.O35.N26 |
31522 | CCOC(=O)C1CCN(C(=O)Nc2ccc3c(c2)nnn3C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring1] | c18ccc2c(c1)nnn2C.C19CCN5CC1.C49=O.C56=O.CC7.O47.N68 |
31523 | C=CCN(C(=O)Nc1ccc2c(c1)nnn2C)c1ccccc1 | [C][=C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccc2c(c1)nnn2C.c16ccccc1.C=CC5.N356.C34=O.N47 |
31524 | C=CCN(CC=C)C(=O)Nc1ccc2c(c1)nnn2C | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C] | c17ccc2c(c1)nnn2C.C=CC5.N356.C6C=C.C34=O.N47 |
31525 | Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)Cc1ccccc1 | [C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc5ccc16.c18ccccc1.c17ccco1.C4(=O)C8.C37=O.N35.N46 |
31527 | Cc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc2c(c1)OCO2.Cc1ccc6cc1.C6C4=O.N45 |
31528 | CCc1nn(-c2ccccc2)c(=O)c2ccccc12 | [C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c13nn4c(=O)c2ccccc12.c14ccccc1.CC3 |
31529 | Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c16ccc(S4(=O)=O)cc1.Cc1cc(C)c5c(C)c1.C36=O.N4(C)C.N35 |
31530 | CSc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | [C][S][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C] | c14ccc(S3(=O)=O)cc1.C2(C)(C)C.CS4.N23 |
31531 | O=C(CSc1nnc(-c2ccco2)o1)Nc1cccc(Cl)c1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.c16nnc7o1.c17ccco1.O=C3C4.S46.N35 |
31532 | CC(=O)Nc1c(C)ccc(CNC(=O)COc2ccc(F)cc2)c1C | [C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][C] | c18c(C)ccc9c1C.c16ccc(F)cc1.C4(=O)C5.CC3=O.N38.C79.N47.O56 |
31533 | Cc1ccc(C)c(NC2=NS(=O)(=O)c3ccccc32)c1 | [C][C][=C][C][=C][Branch1][C][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][Ring2][Ring1][Ring1] | N4C1=NS(=O)(=O)c2ccccc21.Cc1ccc(C)c4c1 |
31534 | CC(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N] | c15ccc(S4(=O)=O)cc1.CC3C.C25=O.N4(C)C.N23 |
31535 | COC(=O)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][S] | C17CCN4CC1.c16cccc(Cl)c1.C37=O.C45=O.CO3.N56 |
31536 | CSc1nsc(NC(=O)Cc2ccccc2)n1 | [C][S][C][=N][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C] | c16nsc4n1.c15ccccc1.C3(=O)C5.CS6.N34 |
31537 | O=S1(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | O=S1(=O)N=C(N2CCN4CC2)c2ccccc21.c14ccc(F)cc1 |
31538 | Cc1cc(C)c2c(c1)C(O)(CC(=O)c1ccccn1)C(=O)N2 | [C][C][=C][C][Branch1][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][P] | Cc1cc(C)c2c(c1)C(O)(CC3=O)C(=O)N2.c13ccccn1 |
31539 | COc1ccc(OC)c(NC(=O)CSc2nnnn2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc5c7c1.c18nnnn1C.C3(=O)C6.CO4.O5C.N37.S68 |
31540 | COc1ccc(C(=O)Nc2ccc(F)cc2)c(OC)c1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14ccc8c5c16.c17ccc(F)cc1.C38=O.CO4.N37.O5C.O6C |
31542 | CCNC(=O)c1ccccc1SCc1ccccc1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc17.c16ccccc1.C25=O.CC3.N23.S47.C46 |
31543 | CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][S] | c15ccc(Cl)c6c1.c17cccnc1.CCC3=O.C47=O.N35.N46 |
31544 | CN(C)C(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | S4(=O)(=O)c1ccc2ccccc2c1.C15CCCN14.CN3C.C35=O |
31545 | COC(=O)Nc1ccc(OCc2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c17ccc6cc1.c18ccccc1.C34=O.CO3.N47.O56.C58 |
31546 | CCC(=O)Nc1ccccc1N1CCN(C(=O)CC)CC1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch2] | c14ccccc15.N15CCN3CC1.CCC2=O.C3(=O)CC.N24 |
31548 | CCc1nnc(NC(=O)OCc2ccccc2)s1 | [C][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | c17nnc6s1.c18ccccc1.C34=O.CC7.N46.O35.C58 |
31549 | O=C(NCCc1ccncc1)Nc1ccccc1Cl | [O][=C][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c16ccncc1.O=C23.C4C6.N24.N35 |
31550 | CCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 | [C][C][C][N][Branch2][Ring1][Ring2][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] | N34C1=NS(=O)(=O)c2ccccc21.c14ccccc1.CCC3 |
31551 | COc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15ccc8cc1.c17ccc(F)cc1.C34=O.CO5.C68.N36.N47 |
31552 | COc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c19ccc2c(c1)OCO2.c16ccc8cc1.C45=O.CO6.N48.N57.C79 |
31553 | CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)C)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][=N] | c14ccc(Cl)c5c1.C3(=O)C(C)C.CCC2=O.N24.N35 |
31554 | O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14ccc6cc1.c15cccc(F)c1.N16CCCC1=O.O=C35.N34 |
31555 | CCOC(=O)N1CCN(C(=O)C(C)Oc2cccc(Cl)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C] | N14CCN5CC1.c18cccc(Cl)c1.C5(=O)C7C.C34=O.CC6.O36.O78 |
31556 | CC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][#C] | c16ccc5cc1.c17ccccc1Cl.CC3=O.N36.O45.C47 |
31557 | COC(=O)c1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c18ccc6cc1.c17ccc9cc1.C5C4=O.C38=O.C9(C)=O.CO3.O56.N47 |
31558 | Cc1nnc(SCC(=O)NC2CC2)n1-c1ccccc1 | [C][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc7n16.c16ccccc1.C4C3=O.C15CC1.S47.N35 |
31559 | Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C] | Cc1ccccc16.c15cccc7c1.N14CCOCC1.C36=O.C47=O.N35 |
31560 | CSc1c(C)cccc1OCC(=O)NCc1ccccc1 | [C][S][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17c4cccc1C.c16ccccc1.C3C2=O.CS7.O34.N25.C56 |
31561 | CCC(Oc1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17ccc5c6c1.CCC3C2=O.c14ccccc1.O34.N27.O5C.O6C |
31562 | CC(=O)Nc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc8cc1.c16cccc(Cl)c1.C4(=O)C5C.CC3=O.N37.N48.O56 |
31563 | c1ccc(SCc2nc(-c3ccncc3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][S][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c1ccc6cc1.c15nc7no1.c17ccncc1.S46.C45 |
31564 | Cc1ccccc1C(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C] | Cc1ccccc17.c16ccc8cc1.C19CCCO1.C37=O.C48=O.N36.N45.C59 |
31566 | CCOc1ccc(NC(=O)C(C)Sc2nnnn2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c18nnnn1C.C3(=O)C6C.CC4.O45.N37.S68 |
31567 | CC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][#C] | c16cccc5c1.c17ccc(Cl)cc1.CC3=O.N36.O45.C47 |
31568 | COC(=O)c1ccc(COC(=O)c2ccc(C)c(NC(C)=O)c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c19ccc(C)c7c1.c18ccc%10cc1.C38=O.C49=O.C5(C)=O.CO3.C6%10.O46.N57 |
31569 | O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc6cc1.c15ccc(Cl)cc1.N16CCCC1=O.O=C35.N34 |
31570 | NC(=O)C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c15cc(Cl)ccc1Cl.C14CCN3CC1.NC4=O.C35=O |
31571 | COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | C17CCN4CC1.c16ccccc1.C37=O.C45=O.CO3.N56 |
31572 | Cc1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.c17ccccc16.S4(C)(=O)=O.C37=O.N35.N46 |
31573 | CNC(=O)CSc1nnc(-c2ccc(F)cc2)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][N][C] | c15nnc6n1C.c16ccc(F)cc1.C3(=O)C4.CN3.S45 |
31574 | NC(=O)COc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 | [N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.c17ccccc18.c18ccccc1.NC(=O)C4.C37=O.O45.N36 |
31575 | COC(=O)c1ccc(COC(=O)c2cccs2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc8cc1.c16cccs1.C37=O.C46=O.CO3.C58.O45 |
31576 | Cc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc6cc1C.c18ccc7cc1.N14CCOCC1.C47=O.O56.C58 |
31577 | CC(=O)Nc1ccccc1NC(=O)CSc1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc16.c17ccccc1.C3(=O)C4.CC2=O.N25.N36.S47 |
31578 | CCC(Oc1ccccc1)c1nc(-c2ccccn2)no1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O] | c14ccccc1.c15nc6no1.c16ccccn1.CCC35.O34 |
31579 | O=C(CSc1ccccc1)NCc1ccc(F)cc1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c16ccccc1.O=C2C4.S46.N23.C35 |
31580 | O=C(NCC1CCCO1)c1ccccc1SCc1ccccc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc18.c17ccccc1.C16CCCO1.O=C25.N23.C36.S48.C47 |
31582 | CCOC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S] | N14CCN5CC1.c17ccc(C)cc1.C5(=O)C7.C34=O.CC6.O36 |
31583 | COc1ccc(CCNC(=O)Cc2ccc(C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc7cc15.c18ccc(C)cc1.C3(=O)C8.C7C6.CO4.N36.O5C |
31585 | CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Ring2] | N13CCN5CC1.c15ccccc16.c17cccs1.CCC3=O.C47=O.N46 |
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