ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
411 | O=C(Nc1cccc(Cl)c1Cl)c1cccnc1 | [O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cccc(Cl)c1Cl.c14cccnc1.O=C24.N23 |
412 | O=C(Nc1ccc(Cl)cc1Cl)c1cccnc1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccc(Cl)cc1Cl.c14cccnc1.O=C24.N23 |
413 | COc1ccc(NC(=O)c2cccnc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P] | c14ccc6c5c1.c17cccnc1.C37=O.CO4.N36.O5C |
415 | O=C(NCC1CCCO1)c1cccc(C(=O)NCC2CCCO2)c1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][#C] | c17cccc8c1.C19CCCO1.C1%10CCCO1.O=C37.C48=O.N35.C59.N46.C6%10 |
418 | CC(C)N(Cc1ccccc1)C(=O)c1cccs1 | [C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c16ccccc1.c15cccs1.CC3C.N234.C25=O.C46 |
419 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccs2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][C] | c18ccc9c6c1.c17cccs1.C38=O.C49=O.C57=O.CO3.O4C.N56 |
420 | O=C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.c15cccs1.O=C35 |
421 | CCOC(=O)N1CCN(C(=O)c2cccs2)CC1 | [C][C][O][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] | N14CCN5CC1.c17cccs1.C34=O.C57=O.CC6.O36 |
422 | O=C(c1cccs1)N(Cc1ccccc1)c1ccccn1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccccc1.c14ccccn1.c15cccs1.O=C25.N234.C36 |
423 | CC1CCCN(C(=O)c2ccc(C(=O)N3CCCC(C)C3)cc2)C1 | [C][C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][C][Ring2][Ring1][#Branch1] | CC1CCCN4C1.c16ccc7cc1.N15CCCC(C)C1.C46=O.C57=O |
425 | COc1ccccc1CNS(=O)(=O)c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c12ccccc15.CO2.C35.N34 |
426 | CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccccc1.N234.CC2.C35 |
427 | O=S(=O)(c1ccccc1)N(CCO)Cc1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S4(=O)c1ccccc1.c15ccccc1.N234.C2CO.C35 |
428 | O=S(=O)(c1ccccc1)N(CCO)C1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][C][C][C][C][C][C][Ring1][=Branch1] | O=S3(=O)c1ccccc1.C14CCCCC1.N234.C2CO |
429 | COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 | [C][O][C][=C][C][=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][Ring2][Ring1][C] | S5(=O)(=O)c1ccc(Cl)cc1.c13ccc6cc1.CO3.C46.N45 |
430 | CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.c15ccccc1.N234.CC2.C35 |
432 | C=CCN(CC=C)S(=O)(=O)c1ccc(C)cc1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.C=CC2.N234.C3C=C |
433 | Cc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | Cc1ccc(S3(=O)=O)cc1.N13CCCC(C)C1 |
435 | COc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c13ccc(S6(=O)=O)cc1.c17ccccc1.N456.C4CO.CO3.C57 |
436 | COc1ccc(S(=O)(=O)N(CCO)C2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c13ccc(S5(=O)=O)cc1.C16CCCCC1.N456.C4CO.CO3 |
437 | C=CCN(CC=C)S(=O)(=O)c1ccc(OC)cc1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | S5(=O)(=O)c1ccc2cc1.C=CC3.N345.C4C=C.O2C |
438 | COc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | c13ccc(S4(=O)=O)cc1.N14CCCC(C)C1.CO3 |
439 | COc1ccc(S(=O)(=O)NCc2ccccn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c13ccc(S5(=O)=O)cc1.c16ccccn1.CO3.N45.C46 |
441 | Cc1cc(C)c(S(=O)(=O)N(CCO)Cc2ccccc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c(S5(=O)=O)c(C)c1.c16ccccc1.N345.C3CO.C46 |
442 | Cc1cc(C)c(S(=O)(=O)NCC(C)C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][S] | Cc1cc(C)c(S3(=O)=O)c(C)c1.C2C(C)C.N23 |
443 | CCC(C)NS(=O)(=O)c1c(C)cc(C)cc1C | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C] | S3(=O)(=O)c1c(C)cc(C)cc1C.CCC2C.N23 |
446 | O=S(=O)(Nc1ccccc1F)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S2(=O)c1ccc(F)cc1.c13ccccc1F.N23 |
447 | COc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | S5(=O)(=O)c1ccc(F)cc1.c13ccc6cc1.CO3.C46.N45 |
448 | COc1ccccc1CNS(=O)(=O)c1ccc(F)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.c12ccccc15.CO2.C35.N34 |
451 | O=S(=O)(c1ccc(F)cc1)N(CCO)Cc1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S4(=O)c1ccc(F)cc1.c15ccccc1.N234.C2CO.C35 |
452 | C=CCN(CC=C)S(=O)(=O)c1ccc(F)cc1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.C=CC2.N234.C3C=C |
453 | CC(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 | [C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccc(F)cc1.c14ccccc1.CC24.N23 |
454 | CC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 | [C][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S] | S3(=O)(=O)c1ccc(F)cc1.CC1CCCN3C1 |
456 | CCC(C)NS(=O)(=O)c1cc(Cl)ccc1Cl | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | S3(=O)(=O)c1cc(Cl)ccc1Cl.CCC2C.N23 |
457 | CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl] | c13cc4ccc1Cl.CS2(=O)=O.C4(F)(F)F.N23 |
458 | COc1cc(NS(C)(=O)=O)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=N][Cl] | c12cc5c3cc1Cl.S4(C)(=O)=O.CO2.N45.O3C |
459 | CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c16ccc4cc1.c17ccccc1.CS5(=O)=O.N56.O34.C37 |
461 | CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.CS3(=O)=O |
463 | CCN(CC)C(=O)c1ccccc1Br | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15ccccc1Br.N234.C25=O.CC3.C4C |
465 | COc1ccccc1NC(=O)c1c(OC)cccc1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C] | c17c4cccc15.c13ccccc16.C27=O.CO3.N26.O4C.O5C |
466 | COc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring1] | c18c5cccc16.c14ccc7cc1.C38=O.CO4.N37.O5C.O6C |
468 | CCN(CC)C(=O)c1cccc(C(=O)N(CC)CC)c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][Ring1][=N] | c18cccc9c1.N245.C28=O.C39=O.N367.CC4.C5C.C6C.C7C |
469 | CCN(CC)C(=O)c1ccc(C(=O)N(CC)CC)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N] | c18ccc9cc1.N245.C28=O.C39=O.N367.CC4.C5C.C6C.C7C |
470 | O=S(=O)(NCc1ccccc1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(Cl)cc1.c14ccccc1.N23.C24 |
471 | CCN(CC)S(=O)(=O)c1c(C)cc(C)cc1C | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C] | S4(=O)(=O)c1c(C)cc(C)cc1C.N234.CC2.C3C |
472 | Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P] | S3(=O)(=O)c1ccc(F)cc1.Cc1cccc4c1.N34 |
473 | CS(=O)(=O)NC(c1ccccc1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.CS3(=O)=O.C245.N23 |
474 | CCOC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17ccc(Cl)cc1.C36=O.C47=O.CC5.O35 |
475 | CCOC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][S] | C17CCN4CC1.c18ccc6cc1.C37=O.C48=O.CC5.O35.O6C |
476 | CCOC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C] | C16CCN4CC1.c17ccccc1Cl.C36=O.C47=O.CC5.O35 |
477 | CCOC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c17ccc(Cl)cc1Cl.C16CCN4CC1.C36=O.C47=O.CC5.O35 |
479 | O=C(c1cccnc1)N1CCC(Cc2ccccc2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | N13CCC5CC1.c14cccnc1.c16ccccc1.O=C34.C56 |
483 | CCC1CCCCN1S(=O)(=O)c1ccc(F)cc1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(F)cc1.C13CCCCN12.CC3 |
486 | CC1CN(C(=O)c2ccc(Br)cc2)CC(C)O1 | [C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring1][S] | CC1CN3CC(C)O1.c14ccc(Br)cc1.C34=O |
491 | CC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][Ring1][S] | c15cccc6c1.c17ccccc1Br.CC3=O.C47=O.N35.N46 |
493 | COC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S] | c16ccc5cc1.c17ccccc1C.C36=O.C47=O.CO3.N45 |
494 | COc1cccc(OC)c1C(=O)N1CCOCC1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13cccc4c15.N12CCOCC1.C25=O.CO3.O4C |
495 | O=C(Nc1ccncc1)c1cccc(C(=O)Nc2ccncc2)c1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][#C] | c17cccc8c1.c15ccncc1.c16ccncc1.O=C37.C48=O.N35.N46 |
496 | Cc1cccnc1NC(=O)c1cccc(C(=O)Nc2ncccc2C)c1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | Cc1cccnc15.c17cccc8c1.c16ncccc1C.C37=O.C48=O.N35.N46 |
498 | CC(=O)Nc1cccc(NC(=O)c2cccs2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c15cccc6c1.c17cccs1.CC3=O.C47=O.N35.N46 |
501 | Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][P] | Cc1ccc(S3(=O)=O)cc1.c14cccc(F)c1.N34 |
503 | COc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c13ccc(S4(=O)=O)cc1.c15ncccn1.CO3.N45 |
504 | COC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C | [C][O][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C] | S4(=O)(=O)c1c(C)cc(C)cc1C.C2(=O)C3.CO2.N34 |
505 | CC(=O)Nc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | S4(=O)(=O)c1c(C)cc(C)cc1C.c15cccc6c1.CC3=O.N35.N46 |
507 | CC1CN(S(=O)(=O)c2ccc(F)cc2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring1][P] | S3(=O)(=O)c1ccc(F)cc1.CC1CN3CC(C)O1 |
508 | O=S(=O)(N=c1cccc[nH]1)c1cc(Cl)ccc1Cl | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][=C][C][=C][C][=C][NH1][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | O=S(=O)(N=c1cccc[nH]1)c1cc(Cl)ccc1Cl |
509 | COC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl | [C][O][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | S4(=O)(=O)c1cc(Cl)ccc1Cl.C2(=O)C3.CO2.N34 |
510 | Cc1cc(Br)ccc1NS(C)(=O)=O | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cc(Br)ccc13.S2(C)(=O)=O.N23 |
511 | CCOc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc7cc1.c14ccccc16.C2(C)=O.CC3.O34.N56.N27 |
512 | COc1ccccc1CNS(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc6cc1.c13ccccc17.C2(C)=O.CO3.C47.N45.N26 |
513 | CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | c17ccc(S6(=O)=O)cc1.c18ccccc1.CC3=O.N456.C5(C)C.N37.C48 |
514 | CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc(S4(=O)=O)cc1.c16ccccc1.CC3=O.N46C.N35 |
522 | O=C(c1ccccc1F)N1CCc2ccccc2C1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccccc1F.O=C34 |
524 | CC(=O)Nc1cccc(NC(=O)c2ccccc2F)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][S] | c15cccc6c1.c17ccccc1F.CC3=O.C47=O.N35.N46 |
525 | O=C(c1ccc(F)cc1)N1CCc2ccccc2C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccc(F)cc1.O=C34 |
526 | CCOC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17ccc(F)cc1.C36=O.C47=O.CC5.O35 |
527 | COc1cc(NC(=O)C(C)C)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Cl] | c13cc5c4cc1Cl.C2(=O)C(C)C.CO3.N25.O4C |
528 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(C)C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][S] | c16ccc7c5c1.C4(=O)C(C)C.C26=O.C37=O.CO2.O3C.N45 |
529 | COC(=O)c1cc(NC(=O)C(C)C)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][S] | c16cc5cc7c1.C4(=O)C(C)C.C26=O.C37=O.CO2.N45.O3C |
530 | CC(C)C(=O)N(Cc1ccccc1)c1ccccn1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccccc1.c14ccccn1.CC(C)C2=O.N234.C35 |
531 | O=S(=O)(Cc1ccccc1)Nc1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13ccccc1F.c14ccccc1.O=S2(=O)C4.N23 |
532 | O=S(=O)(Cc1ccccc1)Nc1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1.c14ccccc1.O=S2(=O)C4.N23 |
533 | CCOc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc6cc1.c17ccccc1.S5(=O)(=O)C7.CC3.O34.N56 |
534 | COc1ccccc1CNS(=O)(=O)Cc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccccc15.c16ccccc1.S4(=O)(=O)C6.CO2.C35.N34 |
535 | CN(c1ccccc1)S(=O)(=O)Cc1ccccc1 | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc1.c14ccccc1.S2(=O)(=O)C4.CN23 |
537 | C=CCN(CC=C)S(=O)(=O)Cc1ccccc1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.S4(=O)(=O)C5.C=CC2.N234.C3C=C |
538 | CC(NS(=O)(=O)Cc1ccccc1)c1ccccc1 | [C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c14ccccc1.S3(=O)(=O)C5.CC24.N23 |
539 | O=S(=O)(Cc1ccccc1)NCc1ccccn1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccccc1.c14ccccn1.O=S3(=O)C5.N23.C24 |
540 | O=S(=O)(Cc1ccccc1)NC1CCCCCC1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][C][Ring1][#Branch1] | C13CCCCCC1.c14ccccc1.O=S2(=O)C4.N23 |
541 | O=S(=O)(Cc1ccccc1)N1CCCCCC1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | N12CCCCCC1.c13ccccc1.O=S2(=O)C3 |
543 | CCCN(CCC)S(=O)(=O)Cc1ccccc1 | [C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.S4(=O)(=O)C5.CCC2.N234.C3CC |
544 | O=S(=O)(Cc1ccccc1)NC1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | c14ccccc1.C13CCCCC1.O=S2(=O)C4.N23 |
545 | O=S(=O)(Cc1ccccc1)NCc1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.O=S3(=O)C4.N23.C25 |
546 | COc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c13ccc5cc1.c16ccccc1.S4(=O)(=O)C6.CO3.N45 |
547 | CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.S3(=O)(=O)C5.CN23.C24 |
548 | CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1 | [C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13CCCCC1.c14ccccc1.S2(=O)(=O)C4.CN23 |
549 | Cc1ccccc1NS(=O)(=O)Cc1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc13.c14ccccc1.S2(=O)(=O)C4.N23 |
550 | CCN(c1ccccc1)S(=O)(=O)Cc1ccccc1 | [C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.S3(=O)(=O)C5.N234.CC2 |
551 | CCOC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc15.c17ccccc1.S4(=O)(=O)C7.C26=O.CC3.O23.N45 |
552 | O=S(=O)(Cc1ccccc1)Nc1nc2ccccc2s1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c14nc2ccccc2s1.c15ccccc1.O=S3(=O)C5.N34 |
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