ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
39549 | O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccccn1 | [O][=C][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | N14CCN6CC1.c16ccccc1.c17ccccn1.C5C4=O.O=C37.O35 |
39550 | CC(=O)c1ccc(NC(=O)COC(=O)c2ccccn2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c18ccc6cc1.c17ccccn1.C4(=O)C5.CC8=O.C37=O.N46.O35 |
39551 | O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1Cl | [O][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | N14CCc2ccccc21.c16ccccc1Cl.C5C4=O.O=C36.O35 |
39552 | Cc1cc(C)cc(NC(=O)COC(=O)c2ccccn2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc6cc(C)c1.c17ccccn1.C4(=O)C5.C37=O.N46.O35 |
39554 | CC(=O)c1ccc(NC(=O)COC(=O)c2cccnc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc6cc1.c18cccnc1.C4(=O)C5.CC7=O.C38=O.N46.O35 |
39555 | CC(C)c1ccccc1NC(=O)COC(=O)c1cccnc1 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17ccccc15.c16cccnc1.C3(=O)C4.CC7C.C26=O.N35.O24 |
39556 | CC1CCCCC1NC(=O)COC(=O)c1ccccn1 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | CC1CCCCC15.c16ccccn1.C3(=O)C4.C26=O.N35.O24 |
39557 | CCc1ccccc1NC(=O)COC(=O)c1cccnc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17ccccc15.c16cccnc1.C3(=O)C4.C26=O.CC7.N35.O24 |
39558 | CCc1ccc(NC(=O)COC(=O)c2ccccn2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c18ccc6cc1.c17ccccn1.C4(=O)C5.C37=O.CC8.N46.O35 |
39559 | Cc1ccc(NC(=O)COC(=O)c2ccccn2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6c(C)c1.c17ccccn1.C4(=O)C5.C37=O.N46.O35 |
39560 | CC(=O)c1cccc(NC(=O)COC(=O)c2ccccn2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c18cccc6c1.c17ccccn1.C4(=O)C5.CC8=O.C37=O.N46.O35 |
39561 | O=C(COC(=O)c1ccccn1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c17ccccn1.O=C4C5.C37=O.O35.N46 |
39563 | Cc1ccc(NC(=O)COC(=O)c2cccnc2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1ccc6cc1Cl.c17cccnc1.C4(=O)C5.C37=O.N46.O35 |
39564 | Cc1cc(C)cc(NC(=O)COC(=O)c2cccnc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc6cc(C)c1.c17cccnc1.C4(=O)C5.C37=O.N46.O35 |
39565 | O=C(COC(=O)c1cccnc1)Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.c16cccnc1.O=C3C4.C26=O.O24.N35 |
39566 | O=C(COC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c17ccccc1.O=C4C5.C37=O.O35.N46 |
39567 | COc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c18ccc2c(c1)OCO2.c17cccc9c1.C6C5=O.C49=O.CO7.O46.N58 |
39568 | COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccn1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc(Cl)cc16.c17ccccn1.C3(=O)C4.C27=O.CO5.N36.O24 |
39569 | O=C(COC(=O)c1cccnc1)NCc1ccccc1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccnc1.c17ccccc1.O=C3C4.C26=O.O24.N35.C57 |
39570 | O=C(COC(=O)c1cccnc1)Nc1ccc(F)cc1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c16cccnc1.O=C3C4.C26=O.O24.N35 |
39571 | O=C(COC(=O)c1ccccc1Cl)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][S][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c17ccccc1Cl.O=C4C5.C37=O.O35.N46 |
39572 | COC(=O)c1ccccc1NC(=O)COC(=O)c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17ccccc16.c18cccnc1.C4(=O)C5.C27=O.C38=O.CO2.N46.O35 |
39573 | O=C(COC(=O)c1ccccn1)Nc1nccs1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=N][C][=C][S][Ring1][Branch1] | c16ccccn1.c15nccs1.O=C3C4.C26=O.O24.N35 |
39574 | Cc1ccc(NC(=O)COC(=O)c2cccnc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6c(C)c1.c17cccnc1.C4(=O)C5.C37=O.N46.O35 |
39575 | O=C(COC(=O)c1ccccn1)Nc1ccc(F)c(F)c1F | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F] | c15ccc(F)c(F)c1F.c16ccccn1.O=C3C4.C26=O.O24.N35 |
39578 | O=C(COC(=O)c1ccccn1)NC1CCCCC1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | c16ccccn1.C15CCCCC1.O=C3C4.C26=O.O24.N35 |
39579 | COc1cccc(NC(=O)COC(=O)c2ccccn2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c16cccc7c1.c18ccccn1.C4(=O)C5.C38=O.CO6.N47.O35 |
39580 | O=C(COC(=O)c1cccnc1)Nc1ccc(F)c(F)c1F | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F] | c15ccc(F)c(F)c1F.c16cccnc1.O=C3C4.C26=O.O24.N35 |
39581 | Cc1cccc(NC(=O)COC(=O)c2cccnc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1cccc6c1.c17cccnc1.C4(=O)C5.C37=O.N46.O35 |
39582 | O=C(COC(=O)c1cccnc1)Nc1ccc(F)cc1F | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.c16cccnc1.O=C3C4.C26=O.O24.N35 |
39583 | Cc1ccccc1NC(=O)COC(=O)c1cccnc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1ccccc15.c16cccnc1.C3(=O)C4.C26=O.N35.O24 |
39584 | COc1ccccc1NC(=O)COC(=O)c1ccccn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccccc16.c17ccccn1.C3(=O)C4.C27=O.CO5.N36.O24 |
39585 | O=C(OCC(=O)N1CCc2ccccc21)c1ccccn1 | [O][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | N14CCc2ccccc21.c16ccccn1.C5C4=O.O=C36.O35 |
39586 | O=C(COC(=O)c1ccccn1)Nc1ccc(Cl)cc1Cl | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c15ccc(Cl)cc1Cl.c16ccccn1.O=C3C4.C26=O.O24.N35 |
39587 | Cc1cccc(C)c1NC(=O)COC(=O)c1ccccn1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cccc(C)c15.c16ccccn1.C3(=O)C4.C26=O.N35.O24 |
39588 | COc1cccc(NC(=O)COC(=O)c2cccnc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c16cccc7c1.c18cccnc1.C4(=O)C5.C38=O.CO6.N47.O35 |
39590 | O=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1Cl | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c15cccc(Cl)c1Cl.c16ccccn1.O=C3C4.C26=O.O24.N35 |
39591 | Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][O][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][=Branch1] | c17ccc2c(c1)OCO2.Cc1ccc8cc1.C6C5=O.C48=O.O46.N57 |
39592 | O=C(COC(=O)c1ccccn1)Nc1ccc(F)cc1F | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.c16ccccn1.O=C3C4.C26=O.O24.N35 |
39593 | O=C(COC(=O)c1cccnc1)Nc1ccccc1F | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.c16cccnc1.O=C3C4.C26=O.O24.N35 |
39594 | Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccnc1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1ccc(Cl)cc15.c16cccnc1.C3(=O)C4.C26=O.N35.O24 |
39595 | Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccn1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1c5cccc1Cl.c16ccccn1.C3(=O)C4.C26=O.N35.O24 |
39596 | O=C(COC(=O)c1ccccn1)Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.c16ccccn1.O=C3C4.C26=O.O24.N35 |
39597 | COc1ccc(C(C)C)cc1S(=O)(=O)N1CCOCC1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c12ccc4cc1S3(=O)=O.N13CCOCC1.C4(C)C.CO2 |
39598 | COc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1C | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C] | c14ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1C.CO4 |
39600 | COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)c(C)c1C | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][C] | c14ccc(S5(=O)=O)c(C)c1C.N15CCc2ccccc2C1.CO4 |
39601 | CCOc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1C | [C][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][C][=C][Ring1][S][C] | c14ccc(S5(=O)=O)c(C)c1C.N15CCOCC1.CC3.O34 |
39603 | COc1ccc2oc(=O)c(C(=O)NC3CCCC3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2oc(=O)c7cc2c1.C16CCCC1.C47=O.CO5.N46 |
39604 | O=C(NCC1CCCO1)c1cc2cc(Cl)cc(Cl)c2oc1=O | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][N][=O] | c15cc2cc(Cl)cc(Cl)c2oc1=O.C16CCCO1.O=C35.N34.C46 |
39606 | COc1ccc2oc(=O)c(C(=O)N3CCCC3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2oc(=O)c6cc2c1.N14CCCC1.C46=O.CO5 |
39608 | O=c1c2c3c(sc2nnn1Cc1ccccc1)CCCC3 | [O][=C][C][C][=C][Branch2][Ring1][Ring1][S][C][=Ring1][Branch1][N][=N][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][C] | O=c1c2c3c(sc2nnn14)CCCC3.c15ccccc1.C45 |
39610 | CCC(C)NC(=O)CN1C(=O)NC2NC(=O)NC21 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][Ring1][#Branch2] | N15C(=O)NC2NC(=O)NC21.CCC4C.C3(=O)C5.N34 |
39611 | CC1=C(C(=O)N(C)C)C(c2ccc(Cl)cc2)NC(=O)N1 | [C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | CC1=C(C3=O)C4NC(=O)N1.c14ccc(Cl)cc1.N3(C)C |
39612 | CCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(OC)c1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c16cccc5c1.c17[nH]cnc18.C27=O.C38=O.CC4.O24.N36.O5C |
39613 | CSc1nnc(-c2ccncc2)n1Cc1ccccc1 | [C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6n13.c16ccncc1.c14ccccc1.CS5.C34 |
39614 | Cc1nnc(SCC(=O)N2CCCC2)n1-c1ccccc1 | [C][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc6n15.c15ccccc1.N13CCCC1.C4C3=O.S46 |
39616 | O=C(Nc1nc2c(s1)C(=O)NCCC2)c1ccccc1Cl | [O][=C][Branch2][Ring1][Branch1][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14nc2c(s1)C(=O)NCCC2.c15ccccc1Cl.O=C35.N34 |
39618 | O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1F | [O][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | N14CCc2ccccc21.c16ccccc1F.C5C4=O.O=C36.O35 |
39619 | Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N14CCc2ccccc21.Nc1ccccc16.C5C4=O.C36=O.O35 |
39620 | O=C(COC(=O)c1ccccc1F)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][S][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c17ccccc1F.O=C4C5.C37=O.O35.N46 |
39621 | c1nc(NCC2CCCO2)c2c3c(sc2n1)CCC3 | [C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][S][C][C][C][Ring1][Branch2] | c1nc5c2c3c(sc2n1)CCC3.C16CCCO1.N45.C46 |
39622 | COc1cc(OC)c(C(=O)NCc2ccco2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][O][C] | c14cc5c8cc16.c19ccco1.C38=O.CO4.O5C.N37.C79.O6C |
39623 | CCCc1[nH]nc(O)c1C(c1ccccc1)C(C#N)C#N | [C][C][C][C][NH1][N][=C][Branch1][C][O][C][=Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][C][#N] | c12[nH]nc(O)c13.C34C(C#N)C#N.c14ccccc1.CCC2 |
39624 | CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch1][N][O][C][Branch1][Ring1][C][O][=C][C][Ring1][Branch2][=O][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1=C(N)Oc2c(oc5cc2=O)C1c1ccccc1.CC4.O34.C5O |
39625 | CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1ccncc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch1][N][O][C][Branch1][Ring1][C][O][=C][C][Ring1][Branch2][=O][C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | C3(=O)C1=C(N)Oc2c(oc5cc2=O)C1c1ccncc1.CC4.O34.C5O |
39626 | CC(=O)c1ccc(NC(=O)COC(=O)c2ccco2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c18ccc6cc1.c17ccco1.C4(=O)C5.CC8=O.C37=O.N46.O35 |
39628 | Cc1ccc(NC(=O)COC(=O)c2ccco2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6c(C)c1.c17ccco1.C4(=O)C5.C37=O.N46.O35 |
39629 | O=C(COC(=O)c1ccco1)Nc1ccc(F)cc1 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c16ccco1.O=C3C4.C26=O.O24.N35 |
39630 | COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccco1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c15ccc(Cl)cc16.c17ccco1.C3(=O)C4.C27=O.CO5.N36.O24 |
39632 | O=C(COC(=O)c1ccco1)Nc1ccc(Cl)cc1Cl | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c15ccc(Cl)cc1Cl.c16ccco1.O=C3C4.C26=O.O24.N35 |
39633 | O=C(COC(=O)c1ccco1)Nc1cc(Cl)ccc1Cl | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c15cc(Cl)ccc1Cl.c16ccco1.O=C3C4.C26=O.O24.N35 |
39634 | COc1ccc(NC(=O)COC(=O)c2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c16ccc7cc1.c18ccco1.C4(=O)C5.C38=O.CO6.N47.O35 |
39635 | O=C(COC(=O)c1ccco1)Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.c16ccco1.O=C3C4.C26=O.O24.N35 |
39637 | O=C(COC(=O)c1ccco1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c17ccco1.O=C4C5.C37=O.O35.N46 |
39639 | CCn1c(NCc2cccc(OC)c2)nc2ccccc21 | [C][C][N][C][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n16c5nc2ccccc21.c17cccc3c1.CC6.N45.C47.O3C |
39640 | O=S1(=O)N=C(Nc2ccc3c(c2)OCCO3)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | O=S1(=O)N=C(N4)c2ccccc21.c14ccc2c(c1)OCCO2 |
39642 | CCOc1c(OC)cccc1C1NC(=O)NC(C)=C1C(=O)OC | [C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C] | C16NC(=O)NC(C)=C1C2=O.c14c5cccc16.CC3.O34.O5C.O2C |
39643 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(C)=O)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][N] | C2(=O)C1=C(C)NC(=O)NC16.c16ccc4c5c1.C3(C)=O.CO2.O34.O5C |
39644 | CCOc1ccc(Cl)cc1C1NC(=O)NC(C)=C1C(=O)OC | [C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C] | C15NC(=O)NC(C)=C1C2=O.c14ccc(Cl)cc15.CC3.O34.O2C |
39647 | COc1cc(OC)cc(-c2ncc3ccccn23)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring1][P] | c16ncc2ccccn12.c14cc5cc6c1.CO4.O5C |
39649 | Cc1cccc2nc(CNc3nc4ccccc4s3)cn12 | [C][C][=C][C][=C][C][=N][C][Branch1][S][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][N][Ring2][Ring1][Ring2][Ring1][S] | Cc1cccc2nc7cn12.c16nc2ccccc2s1.C57.N56 |
39651 | COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c15ccc(S6(=O)=O)cc1Cl.N16CCCCC1.C3(=O)C4.CO3.O45 |
39652 | CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | [C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S] | S5(=O)(=O)c1ccc(Cl)cc1.C16CCCN5C1.C36=O.CC4.N34 |
39653 | CCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S5(=O)(=O)c1ccccc1.C16CCN5CC1.CCCC4C.C36=O.N34 |
39654 | COc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | n15c(=O)oc2ccc(C)cc21.c14ccc6cc1.CO4.C56 |
39655 | COc1cc(OC)cc(OCC(O)Cn2cnc3ccccc32)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] | n18cnc2ccccc21.c15cc6cc7c1.C4C(O)C8.CO5.O6C.O47 |
39656 | COc1cc(OC)cc(OCC(O)Cn2c(C)nc3ccccc32)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1] | n18c(C)nc2ccccc21.c15cc6cc7c1.C4C(O)C8.CO5.O6C.O47 |
39657 | CC(=O)c1ccccc1OCC(O)Cn1cnc2ccccc21 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n16cnc2ccccc21.c15ccccc14.C3C(O)C6.CC5=O.O34 |
39658 | CC(=O)c1ccccc1OCC(O)Cn1c(C)nc2ccccc21 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(C)nc2ccccc21.c15ccccc14.C3C(O)C6.CC5=O.O34 |
39659 | CCc1nc2ccccc2n1CC(O)COc1ccccc1C(C)=O | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O] | c17nc2ccccc2n16.c14ccccc15.C6C(O)C3.C5(C)=O.CC7.O34 |
39660 | CC(=O)c1ccccc1OCC(O)Cn1cnc2cc(C)c(C)cc21 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O] | n16cnc2cc(C)c(C)cc21.c15ccccc14.C3C(O)C6.CC5=O.O34 |
39661 | CC(=O)c1ccccc1OCC(O)Cn1ccnc1C | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][=C][N][=C][Ring1][Branch1][C] | c14ccccc13.n15ccnc1C.C2C(O)C5.CC4=O.O23 |
39663 | Cc1nc2ccc(NC(=O)c3ccncc3)cc2s1 | [C][C][=N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][S][Ring2][Ring1][C] | Cc1nc2ccc5cc2s1.c16ccncc1.C46=O.N45 |
39664 | Cc1ccc(C)c(NC(=O)C2CC(=O)N(C(C)C)C2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | Cc1ccc(C)c4c1.C15CC(=O)N6C1.C35=O.C6(C)C.N34 |
39665 | COc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.C6(=O)CCC3=O.c15cccnc1.CO4.N35 |
39666 | CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1 | [C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | S5(=O)(=O)c1ccc(Cl)cc1.CC3C2=O.c16ccco1.N35.N24.C46 |
39667 | CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15ccc6cc1.C17CC(=O)N8C1.CC3=O.C47=O.C8(C)C.N35.N46 |
39669 | CC(C)N1CC(C(=O)Nc2ccc(F)cc2)CC1=O | [C][C][Branch1][C][C][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=O] | N16CC5CC1=O.c14ccc(F)cc1.CC6C.C35=O.N34 |
39670 | O=C(CCC(=O)c1ccccc1)Nc1cccnc1 | [O][=C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C2CCC4=O.c14ccccc1.c13cccnc1.N23 |
39671 | Cc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | Cc1ccc4cc1.C15CC(=O)N6C1.C35=O.C6(C)C.N34 |
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