ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
553 | CC(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 | [C][C][=Branch1][C][=O][N][C][=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][Ring1][P] | c15cccc6c1.c17ccccc1.S4(=O)(=O)C7.CC3=O.N35.N46 |
554 | O=S(=O)(Nc1cccnc1)c1ccc(Br)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | O=S2(=O)c1ccc(Br)cc1.c13cccnc1.N23 |
555 | COC(=O)CNS(=O)(=O)c1ccc(Br)cc1 | [C][O][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Br)cc1.C2(=O)C3.CO2.N34 |
557 | O=C(Nc1ccccn1)c1cccc(Br)c1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cccc(Br)c1.c13ccccn1.O=C24.N23 |
558 | O=C(c1cccc(Br)c1)N1CCOCC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c13cccc(Br)c1.N12CCOCC1.O=C23 |
559 | C=CCN(CC=C)C(=O)c1ccc(Cl)c(Cl)c1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.C=CC3.N234.C4C=C.C25=O |
560 | O=C(NCC1CCCO1)c1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.C15CCCO1.O=C24.N23.C35 |
561 | COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.C2(=O)C4.C35=O.CO2.N34 |
563 | COc1ccc(CNC(=O)c2ccc(OC)cc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc16.c14ccc9cc1.C38=O.CO4.C79.N37.O5C.O6C |
564 | C=CCN(CC=C)C(=O)c1ccc(OC)cc1OC | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c17ccc3cc14.C=CC5.N256.C6C=C.C27=O.O3C.O4C |
565 | COc1ccc(C(=O)NCc2ccccc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc7c5c1.c18ccccc1.C37=O.CO4.N36.C68.O5C |
566 | COc1ccc(C(=O)N2CCCCC2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring1][P] | c14ccc6c5c1.N13CCCCC1C.C36=O.CO4.O5C |
567 | COc1ccc(C(=O)N2CC(C)OC(C)C2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6c5c1.N13CC(C)OC(C)C1.C36=O.CO4.O5C |
568 | CCc1cccc(C)c1NC(=O)c1ccc(OC)c(OC)c1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17cccc(C)c15.c16ccc3c4c1.C26=O.CC7.N25.O3C.O4C |
569 | COc1ccc(C(=O)N2CCCC(C)C2)cc1OC | [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][O][C] | c14ccc6cc15.N13CCCC(C)C1.C36=O.CO4.O5C |
570 | COc1ccc(C(=O)NCC2CCCO2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C][O][C] | c14ccc7cc15.C18CCCO1.C37=O.CO4.N36.C68.O5C |
571 | CCN(C(=O)c1ccc(OC)c(OC)c1)c1ccccc1C | [C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c17ccc3c4c1.c16ccccc1C.N256.C27=O.CC5.O3C.O4C |
572 | COc1ccc(C(=O)N2CCc3ccccc3C2)cc1OC | [C][O][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][O][C] | N14CCc2ccccc2C1.c15ccc7cc16.C47=O.CO5.O6C |
574 | COc1ccc(C(=O)N2CCc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][P][O][C] | N14CCc2ccccc21.c15ccc7cc16.C47=O.CO5.O6C |
575 | COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][O][C] | c15ccc7cc16.N14CCC8CC1.c19ccccc1.C47=O.CO5.C89.O6C |
576 | CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c19ccc6c7c1.C18CCN4CC1.C38=O.C49=O.CC5.O35.O6C.O7C |
577 | COc1ccc(C(=O)Nc2ncccc2C)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16ncccc1C.C37=O.CO4.N36.O5C |
578 | COc1ccc(C(=O)NCc2ccc(C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c14ccc7cc15.c18ccc(C)cc1.C37=O.CO4.N36.C68.O5C |
579 | COc1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c18cc5cc6c1.c14ccc9cc1.C38=O.CO4.C79.N37.O5C.O6C |
580 | COc1cc(OC)cc(C(=O)NCC2CCCO2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][P] | c14cc5cc7c1.C18CCCO1.C37=O.CO4.O5C.N36.C68 |
581 | CCCN(CCC)C(=O)c1cc(OC)cc(OC)c1 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17cc3cc4c1.CCC5.N256.C6CC.C27=O.O3C.O4C |
582 | COc1cc(OC)cc(C(=O)Nc2ccc(F)c(F)c2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c16ccc(F)c(F)c1.C37=O.CO4.O5C.N36 |
583 | COC(=O)CNC(=O)c1cc(OC)cc(OC)c1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17cc4cc5c1.C2(=O)C6.C37=O.CO2.N36.O4C.O5C |
584 | COc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c16ccc(C)c(C)c1.c14ccc7cc1.C36=O.CO4.C57.N35 |
585 | Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C] | Cc1ccc6cc1C.N14CCN5CC1.c15ccc(F)cc1.C46=O |
586 | Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1C | [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][C] | Cc1ccc6cc1C.N14CCN5CC1.c15ccccc1.C46=O |
587 | Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c16ccccc1.C35=O.N34C.C46 |
588 | CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][P] | c15ccc8cc1.c17cccc6c1.C38=O.CC4.O45.N37.O6C |
589 | CCOc1ccc(C(=O)NCc2ccccc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][C] | c15ccc8cc1.c19ccccc16.C38=O.CC4.O45.N37.C79.O6C |
590 | CCOc1ccc(C(=O)N(CC)Cc2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc8cc1.c19ccccc1.C38=O.N367.CC4.O45.C6C.C79 |
591 | CCOc1ccc(C(=O)N2CC(C)CC(C)C2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][S] | N13CC(C)CC(C)C1.c15ccc6cc1.C36=O.CC4.O45 |
592 | CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1 | [C][C][O][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.c16ccc7cc1.C47=O.CC5.O56 |
594 | CCOc1ccc(C(=O)Nc2ccccc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][P] | c15ccc8cc1.c17ccccc16.C38=O.CC4.O45.N37.O6C |
595 | CCOc1ccc(C(=O)N2CCc3ccccc32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][P] | N14CCc2ccccc21.c16ccc7cc1.C47=O.CC5.O56 |
596 | CCOC(=O)C1CCN(C(=O)c2ccc(OCC)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][C][Ring1][P] | C18CCN4CC1.c19ccc7cc1.C38=O.C49=O.CC5.O35.O67.C6C |
597 | CCOc1ccc(C(=O)NCCc2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc7cc1.c18ccccc1.C37=O.C6C8.CC4.O45.N36 |
599 | O=C(Nc1cccc(Cl)c1Cl)c1ccco1 | [O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][C][=C][O][Ring1][Branch1] | c13cccc(Cl)c1Cl.c14ccco1.O=C24.N23 |
604 | COC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c17ccc5cc1.c18ccc6cc1.C37=O.C48=O.N6(C)C.CO3.N45 |
605 | Cc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc7cc1.c16ccc5cc1.C36=O.N5(C)C.C47.N34 |
607 | CCCN(CCC)C(=O)c1ccc(OC(C)=O)cc1 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c17ccc4cc1.CCC5.N356.C6CC.C37=O.C2(C)=O.O24 |
609 | CC(=O)Oc1ccc(C(=O)Nc2cccc(C)n2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc7cc1.c16cccc(C)n1.CC3=O.C47=O.O35.N46 |
610 | CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][P] | c16cc(Cl)cc(Cl)c1.c15ccc7cc1.CC3=O.C47=O.N35.N46 |
612 | CCOc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c15ccccc16.c18ccc7cc1.C28=O.C3(C)=O.CC4.O45.N26.N37 |
613 | CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c16ccccc18.CC3=O.C47=O.C8(C)C.N35.N46 |
616 | CC(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc7cc1.C16CCCCCC1.CC3=O.C47=O.N35.N46 |
617 | CCN(C(=O)c1ccc(NC(C)=O)cc1)c1ccccc1C | [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][C][=C][C][=C][Ring1][=Branch1][C] | c17ccc6cc1.c15ccccc1C.N245.C27=O.C3(C)=O.CC4.N36 |
618 | CC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc7cc1.C16CCCCC1.CC3=O.C47=O.N35.N46 |
620 | COc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c14ccccc15.c17ccc6cc1.C27=O.C3(C)=O.CO4.N25.N36 |
622 | CC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc7cc1.c18ccccc1.CC3=O.C47=O.N45C.N36.C58 |
625 | CCN(C(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 | [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][C][=C][C][=C][Ring1][=Branch1] | c17ccc6cc1.c15ccccc1.N245.C27=O.C3(C)=O.CC4.N36 |
626 | CC(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][#C] | c15ccc6cc1.N14CCCCC1C.CC3=O.C46=O.N35 |
627 | C=CCN(CC=C)C(=O)c1ccccc1OC(C)=O | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=O] | c17ccccc14.C=CC5.N356.C6C=C.C37=O.C2(C)=O.O24 |
628 | CC(=O)Oc1ccccc1C(=O)N1CC(C)CC(C)C1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2] | N13CC(C)CC(C)C1.c14ccccc15.CC2=O.C35=O.O24 |
629 | CC(=O)Oc1ccccc1C(=O)NCC1CCCO1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | c14ccccc16.C17CCCO1.CC2=O.C36=O.O24.N35.C57 |
630 | CCOC(=O)C1CCN(C(=O)c2ccccc2OC(C)=O)CC1 | [C][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][O][C][Branch1][C][C][=O][C][C][Ring2][Ring1][C] | C18CCN5CC1.c19ccccc17.C38=O.C59=O.C4(C)=O.CC6.O36.O47 |
631 | CC(=O)Oc1ccccc1C(=O)Nc1ccccc1C | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c14ccccc16.c15ccccc1C.CC2=O.C36=O.O24.N35 |
632 | CC(=O)Oc1ccccc1C(=O)NCCc1ccccc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc16.c17ccccc1.CC2=O.C36=O.C5C7.O24.N35 |
633 | CC(=O)Oc1ccccc1C(=O)N1CC(C)OC(C)C1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | N13CC(C)OC(C)C1.c14ccccc15.CC2=O.C35=O.O24 |
635 | CC1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 | [C][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][S] | c14cc(Cl)ccc1Cl.CC1CCCN3C1.C34=O |
636 | O=C(Nc1cccnc1)c1cc(Cl)ccc1Cl | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Cl)ccc1Cl.c13cccnc1.O=C24.N23 |
637 | CC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring1][P] | c17cc(Cl)ccc1Cl.c15cccc6c1.CC3=O.C47=O.N35.N46 |
638 | CC1CN(C(=O)c2cc(Cl)ccc2Cl)CC(C)O1 | [C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][C][Branch1][C][C][O][Ring1][P] | CC1CN3CC(C)O1.c14cc(Cl)ccc1Cl.C34=O |
639 | CC1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 | [C][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][S] | c14c(Cl)cccc1Cl.CC1CCCN3C1.C34=O |
641 | O=C(c1c(Cl)cccc1Cl)N1CCOCC1 | [O][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c13c(Cl)cccc1Cl.N12CCOCC1.O=C23 |
642 | CC1CN(C(=O)c2c(Cl)cccc2Cl)CC(C)O1 | [C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Branch1][C][C][O][Ring1][P] | CC1CN3CC(C)O1.c14c(Cl)cccc1Cl.C34=O |
643 | CCOc1ccc(C(=O)Nc2ccccc2OC)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][P][O][C][C] | c16ccc%10cc18.c19ccccc17.C3%10=O.CC4.O46.N39.O7C.O58.C5C |
644 | CCOc1ccc(C(=O)N2CC(C)OC(C)C2)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][S][O][C][C] | c16ccc8cc17.N13CC(C)OC(C)C1.C38=O.CC4.O46.O57.C5C |
646 | CCc1cccc(C)c1NC(=O)Cc1ccc(OC)c(OC)c1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16cccc(C)c15.c17ccc3c4c1.C2(=O)C7.CC6.N25.O3C.O4C |
647 | COc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c14ccc8c7c1.c19ccc5c6c1.C3(=O)C9.CO4.N38.O5C.O6C.O7C |
648 | COc1ccc(CC(=O)N2CCCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc6cc15.N13CCCCCC1.C6C3=O.CO4.O5C |
650 | COc1ccc(CC(=O)N2CCc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C] | N14CCc2ccccc21.c15ccc7cc16.C7C4=O.CO5.O6C |
651 | O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccn1 | [O][=C][Branch2][Ring1][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=C2CC56.c15ccccc1.c16ccccc1.c14ccccn1.N23.C34 |
652 | O=C(CC(c1ccccc1)c1ccccc1)NCC1CCCO1 | [O][=C][Branch2][Ring1][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | O=C2CC56.c15ccccc1.c16ccccc1.C14CCCO1.N23.C34 |
653 | O=C(CC(c1ccccc1)c1ccccc1)Nc1ccncc1 | [O][=C][Branch2][Ring1][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C2CC45.c14ccccc1.c15ccccc1.c13ccncc1.N23 |
655 | CCc1cccc(C)c1NC(=O)Cc1ccccc1OC | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c15cccc(C)c14.c16ccccc13.C2(=O)C6.CC5.N24.O3C |
656 | COc1ccccc1CC(=O)Nc1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c13ccccc15.c14ccc(C)cc1.C5C2=O.CO3.N24 |
657 | COc1ccccc1CC(=O)N1CC(C)OC(C)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | N12CC(C)OC(C)C1.c13ccccc14.C4C2=O.CO3 |
658 | O=C(Nc1ccccc1F)c1ccc2c(c1)OCO2 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccccc1F.O=C35.N34 |
659 | CCc1cccc(C)c1NC(=O)c1ccc2c(c1)OCO2 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16cccc(C)c14.C35=O.CC6.N34 |
660 | COc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C] | c17ccc2c(c1)OCO2.c15cccc6c1.C47=O.CO5.N46 |
661 | O=C(Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccc(F)cc1.O=C35.N34 |
662 | CCOc1ccccc1NC(=O)c1ccc2c(c1)OCO2 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c15ccccc16.C37=O.CC4.O45.N36 |
663 | CCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c18ccc2c(c1)OCO2.c16ccc7cc1.C48=O.CC5.O56.N47 |
664 | COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCO2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c16ccccc15.C36=O.C47=O.CO3.N45 |
666 | O=C(NCc1ccccn1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16ccccn1.O=C35.N34.C46 |
667 | O=C(c1ccc2c(c1)OCO2)N(Cc1ccccc1)c1ccccn1 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c17ccccc1.c15ccccn1.O=C36.N345.C47 |
668 | O=C(c1ccc2c(c1)OCO2)N1CCc2ccccc2C1 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccc2c(c1)OCO2.O=C34 |
669 | O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccc(Cl)cc1.O=C35.N34 |
670 | COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc2c(c1)OCO2.c15ccc6cc1.C47=O.CO5.N46 |
673 | O=C(c1ccc2c(c1)OCO2)N1CCC(Cc2ccccc2)CC1 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | c14ccc2c(c1)OCO2.N13CCC5CC1.c16ccccc1.O=C34.C56 |
674 | CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16ccccc1.CN34.C35=O.C46 |
675 | O=C(NCCc1ccccc1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16ccccc1.O=C35.C4C6.N34 |
676 | O=C(Nc1cccc(Br)c1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14cccc(Br)c1.O=C35.N34 |
677 | CCOc1cc(C(=O)N(C)C)cc(OCC)c1OCC | [C][C][O][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][=C][O][C][C] | c16cc9cc7c18.C29=O.N2(C)C.CC3.O36.O47.C4C.O58.C5C |
678 | CCN(Cc1ccccc1)C(=O)c1cc(OC)c(OC)c(OC)c1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] | c18cc3c4c5c1.c19ccccc1.N267.C28=O.CC6.C79.O3C.O4C.O5C |
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