ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
8506 | CCc1cccc(C)c1NC(=O)c1cc2ccccc2oc1=O | [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][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c15cc2ccccc2oc1=O.c16cccc(C)c14.C35=O.CC6.N34 |
8509 | CCOc1ccc(-n2c(CC)nc3ccccc3c2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][Branch1][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | n17c6nc2ccccc2c1=O.c15ccc7cc1.CC4.O45.C6C |
8510 | CCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c14nc2ccccc2c(=O)n15.c15ccc3cc1.CC4.O3C |
8515 | O=C(Nc1ccccc1C(=O)Nc1cccnc1)c1cccs1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | c14ccccc17.c15cccnc1.c16cccs1.O=C26.C37=O.N24.N35 |
8516 | COC(=O)c1cn(Cc2ccc(Cl)cc2)cc(F)c1=O | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][C][F][C][Ring1][#C][=O] | c14cn5cc(F)c1=O.c16ccc(Cl)cc1.C34=O.CO3.C56 |
8517 | CCOc1ccccc1NC(=O)c1cc2ccccc2oc1=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c17cc2ccccc2oc1=O.c15ccccc16.C37=O.CC4.O45.N36 |
8518 | CC1CCN(C(=O)c2ccccc2NC(=O)c2ccco2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring2][Ring1][=Branch1] | CC1CCN3CC1.c17ccccc15.c16ccco1.C37=O.C46=O.N45 |
8519 | CCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2] | c18cc2ccccc2oc1=O.c16ccc7cc1.C48=O.CC5.O56.N47 |
8524 | O=C(NCCN1CCNC1=O)c1ccc(OC(F)(F)F)cc1 | [O][=C][Branch1][N][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | c15ccc3cc1.N16CCNC1=O.O3C(F)(F)F.O=C25.C4C6.N24 |
8525 | CC(NC(=O)c1ccccc1NC(=O)c1cccnc1)c1ccccc1 | [C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc15.c17cccnc1.c18ccccc1.CC48.C26=O.C37=O.N24.N35 |
8526 | CC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][S] | c15sc2c(c16)CCCCC2.N14CCOCC1.CC3=O.C46=O.N35 |
8527 | CCCN(CCC)C(=O)c1c(NC(C)=O)sc2c1CCCCC2 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Ring1][=Branch2][C][C][C][C][C][Ring1][#Branch1] | c18c7sc2c1CCCCC2.CCC5.N356.C6CC.C38=O.C4(C)=O.N47 |
8529 | CCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2 | [C][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][S] | c15sc2c(c16)CCCCC2.N14CCOCC1.CCC3=O.C46=O.N35 |
8530 | CCOC(=O)c1c(C)cccc1NC(=O)c1cccs1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c17c5cccc1C.c16cccs1.C27=O.C36=O.CC4.O24.N35 |
8532 | O=C(COc1cc(Cl)ccc1Cl)NCc1ccco1 | [O][=C][Branch1][#C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][C][=C][O][Ring1][Branch1] | c14cc(Cl)ccc1Cl.c16ccco1.O=C2C3.O34.N25.C56 |
8533 | O=C(COc1cc(Cl)ccc1Cl)Nc1nccs1 | [O][=C][Branch1][#C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][=N][C][=C][S][Ring1][Branch1] | c14cc(Cl)ccc1Cl.c15nccs1.O=C2C3.O34.N25 |
8534 | O=C(Nc1ccccc1F)C1COc2ccccc2O1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccccc1F.O=C35.N34 |
8535 | CCc1cccc(C)c1NC(=O)C1COc2ccccc2O1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16cccc(C)c14.C35=O.CC6.N34 |
8536 | CC(C)c1ccccc1NC(=O)C1COc2ccccc2O1 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16ccccc14.CC6C.C35=O.N34 |
8538 | COc1ccc(OC)c(NC(=O)C2COc3ccccc3O2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | C18COc2ccccc2O1.c15ccc6c7c1.C48=O.CO5.O6C.N47 |
8540 | COc1ccc(NC(=O)C2COc3ccccc3O2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | C18COc2ccccc2O1.c15ccc7c6c1.C48=O.CO5.N47.O6C |
8541 | COc1cccc(NC(=O)C2COc3ccccc3O2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | C17COc2ccccc2O1.c15cccc6c1.C47=O.CO5.N46 |
8542 | O=C(Nc1ccccc1C(F)(F)F)C1COc2ccccc2O1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccccc16.C6(F)(F)F.O=C35.N34 |
8543 | Cc1ccc(NC(=O)C2COc3ccccc3O2)c(Br)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][Branch1][C][Br][=C][Ring2][Ring1][Ring2] | C16COc2ccccc2O1.Cc1ccc5c(Br)c1.C46=O.N45 |
8544 | Cc1ccccc1NC(=O)C1COc2ccccc2O1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.Cc1ccccc14.C35=O.N34 |
8545 | Cc1ccc(NC(=O)C2COc3ccccc3O2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | C16COc2ccccc2O1.Cc1ccc5c(C)c1.C46=O.N45 |
8546 | Cc1ccc(NC(=O)C2COc3ccccc3O2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C] | C16COc2ccccc2O1.Cc1ccc5cc1C.C46=O.N45 |
8547 | Cc1ccc(C)c(NC(=O)C2COc3ccccc3O2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | C16COc2ccccc2O1.Cc1ccc(C)c5c1.C46=O.N45 |
8548 | COc1ccc(C(=O)CSc2n[nH]c(=O)n2-c2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc5cc1.c17n[nH]c(=O)n16.c16cccnc1.C5(=O)C4.CO3.S47 |
8550 | CCc1ccccc1NC(=O)C1COc2ccccc2O1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16ccccc14.C35=O.CC6.N34 |
8552 | CCc1ccc(NC(=O)C2COc3ccccc3O2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | C16COc2ccccc2O1.c17ccc5cc1.C46=O.CC7.N45 |
8553 | COc1ccc(C(=O)n2ccc(-c3cccs3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][O][C] | c14ccc6cc15.C6(=O)n1ccc7n1.c17cccs1.CO4.O5C |
8554 | Cc1c(Cl)cccc1NC(=O)C1COc2ccccc2O1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.Cc1c4cccc1Cl.C35=O.N34 |
8556 | CCOc1ccc(NC(=O)C2COc3ccccc3O2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | C18COc2ccccc2O1.c16ccc7cc1.C48=O.CC5.O56.N47 |
8557 | O=C(Nc1nccs1)C1COc2ccccc2O1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14nccs1.O=C35.N34 |
8558 | COC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | C17COc2ccccc2O1.c18cccc6c1.C48=O.C57=O.CO4.N56 |
8559 | COC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C16COc2ccccc2O1.c17ccccc15.C37=O.C46=O.CO3.N45 |
8560 | CCOC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | C18COc2ccccc2O1.c19ccc7cc1.C49=O.C58=O.CC6.O46.N57 |
8561 | Cc1ccc(-n2c(=O)[nH]c3c(cnn3-c3ccccc3)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][NH1][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | n14c(=O)[nH]c2c(cnn25)c1=O.Cc1ccc4cc1.c15ccccc1 |
8563 | Cc1cc(C)cc(NC(=O)C2COc3ccccc3O2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | C16COc2ccccc2O1.Cc1cc5cc(C)c1.C46=O.N45 |
8564 | O=C(Nc1cccc2ccccc12)C1COc2ccccc2O1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | c14cccc2ccccc12.C15COc2ccccc2O1.O=C35.N34 |
8565 | O=C(C1COc2ccccc2O1)N1CCCc2ccccc21 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C14COc2ccccc2O1.N13CCCc2ccccc21.O=C34 |
8566 | Cc1cc(C)c2c(=O)n(C(=O)c3ccco3)sc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][Ring1][=N][=N][Ring2][Ring1][C] | Cc1cc(C)c2c(=O)n(C4=O)sc2n1.c14ccco1 |
8567 | CCc1ccc2[nH]c(C(=O)Nc3cccc(C)n3)cc2c1 | [C][C][C][=C][C][=C][NH1][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2[nH]c6cc2c1.c15cccc(C)n1.C46=O.CC7.N45 |
8568 | COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c16ccc9cc17.c18ccc(C)cc1.C5C4=O.C39=O.CO6.O35.N48.O7C |
8569 | COc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c15ccccc17.c16ccc(C)cc1.C4C3=O.C27=O.CO5.O24.N36 |
8570 | Cc1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.c17ccccc1.C3(=O)CC7.C4(=O)C5.N46.O35 |
8571 | Cc1ccc(NC(=O)COC(=O)c2ccccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.c17ccccc1F.C4(=O)C5.C37=O.N46.O35 |
8572 | COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch1][O][C] | c16ccc9cc17.c18ccc(C)cc1C.C5C4=O.C39=O.CO6.O35.N48.O7C |
8573 | COc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch1][O][C] | c16ccc9cc17.c18cccc(C)c1C.C5C4=O.C39=O.CO6.O35.N48.O7C |
8575 | O=C(COC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.c15ccc(F)cc1.O=C3C4.C26=O.O24.N35 |
8576 | COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c16ccc9cc17.c18ccc(F)cc1.C5C4=O.C39=O.CO6.O35.N48.O7C |
8577 | COc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccccc17.c16ccc(F)cc1.C4C3=O.C27=O.CO5.O24.N36 |
8578 | O=C(COC(=O)CCc1ccccc1)Nc1ccc(F)cc1 | [O][=C][Branch1][P][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c16ccccc1.C2(=O)CC6.O=C3C4.O24.N35 |
8579 | Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)(C)CO | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][O] | Cc1onc6c15.c16ccccc1Cl.C4(C)(C)CO.C35=O.N34 |
8580 | O=C(COC(=O)c1ccc(F)cc1)NCc1ccccc1 | [O][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(F)cc1.c17ccccc1.O=C3C4.C26=O.O24.N35.C57 |
8581 | Cc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc7cc1C.c18ccccc1.C5C4=O.C37=O.O35.N46.C68 |
8582 | Cc1cccc(OCC(=O)c2ccc(O)cc2O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][Ring2][Ring1][C] | c15ccc(O)cc1O.Cc1cccc4c1.C3C5=O.O34 |
8583 | O=C(COc1ccccc1Cl)c1ccc(O)cc1O | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14ccc(O)cc1O.c13ccccc1Cl.O=C4C2.O23 |
8585 | CCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1N | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring2][Ring1][C][N] | c17nnc8n1N.c16ccc4cc1.C5C3=O.CCC7.S58.N36.O4C |
8591 | Cc1ccc(NC(=O)CSc2nncn2N)c(C)c1 | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.c16nncn1N.C3(=O)C4.N35.S46 |
8592 | Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][N][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5c(C)c1.c17nnc6n1N.C3(=O)C4.C6(F)(F)F.N35.S47 |
8593 | COc1ccc(OC)c(NC(=O)CSc2nnc(C)n2N)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2] | c14ccc5c7c1.c18nnc(C)n1N.C3(=O)C6.CO4.O5C.N37.S68 |
8594 | Cc1cc(C(=O)NCc2ccc3c(c2)OCCCO3)nn1C | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=N][N][Ring2][Ring1][Ring2][C] | c17ccc2c(c1)OCCCO2.Cc1cc6nn1C.C46=O.N45.C57 |
8595 | O=C1NCCCCC1NS(=O)(=O)c1ccc(Cl)cc1 | [O][=C][N][C][C][C][C][C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(Cl)cc1.O=C1NCCCCC13.N23 |
8596 | CCc1ccc(S(=O)(=O)NC2CCCCNC2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][C] | c15ccc(S3(=O)=O)cc1.C14CCCCNC1=O.CC5.N34 |
8597 | O=C1NCCCCC1NS(=O)(=O)c1ccc2c(c1)OCCCO2 | [O][=C][N][C][C][C][C][C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2] | S3(=O)(=O)c1ccc2c(c1)OCCCO2.O=C1NCCCCC14.N34 |
8598 | Cc1nn(C)c(C)c1S(=O)(=O)NC1CCCCNC1=O | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O] | Cc1nn(C)c(C)c1S2(=O)=O.C13CCCCNC1=O.N23 |
8599 | COc1ccc(NC(=O)c2nc3ccccc3s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c17nc2ccccc2s1.c15ccc6cc1.C47=O.CO5.N46 |
8601 | Cc1nccc(-c2cccc(NC(=O)c3nc4ccccc4s3)c2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] | c17nc2ccccc2s1.Cc1nccc8n1.c18cccc6c1.C57=O.N56 |
8602 | COc1cc2c(cc1OC)CN(C(=O)COc1ccccc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | c15cc2c(cc16)CN3CC2.c17ccccc1.C3(=O)C4.CO5.O6C.O47 |
8603 | COc1cc2c(cc1OC)CN(C(=O)c1cccs1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][P] | c14cc2c(cc15)CN3CC2.c16cccs1.C36=O.CO4.O5C |
8604 | COc1cc2c(cc1OC)CN(C(=O)C1CCC1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][S] | c14cc2c(cc15)CN3CC2.C16CCC1.C36=O.CO4.O5C |
8606 | NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | NS(=O)(=O)c1ccc5cc1.S4(=O)(=O)c1ccccc1.C35.N34 |
8607 | NS(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | NS(=O)(=O)c1ccc5cc1.c16ccccc1.S4(=O)(=O)C6.C35.N34 |
8608 | O=S(=O)(NCc1csc(-c2cccs2)n1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][N][C][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S4(=O)c1ccccc1.c15csc6n1.c16cccs1.N34.C35 |
8609 | CCc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c17ccccc15.C4C3=O.CC7.O45.N36 |
8610 | CCc1ccccc1OCC(=O)NCc1ccccc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc14.c17ccccc1.C3C2=O.CC6.O34.N25.C57 |
8612 | CCc1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c17ccccc14.c15ccc6cc1.C3C2=O.C6(N)=O.CC7.O34.N25 |
8613 | N#Cc1ccc2[nH]c(C(O)C(O)c3nc4cc(C#N)ccc4[nH]3)nc2c1 | [N][#C][C][=C][C][=C][NH1][C][Branch2][Ring1][#Branch2][C][Branch1][C][O][C][Branch1][C][O][C][=N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][=N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | N#Cc1ccc2[nH]c5nc2c1.c16nc2cc(C#N)ccc2[nH]1.C5(O)C6O |
8615 | CCc1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.c16ccccc14.C3C2=O.CC6.O34.N25 |
8617 | O=c1c(=Cc2ccc(F)cc2)sc2nnc(-c3ccco3)n12 | [O][=C][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring2][Ring1][Branch1][Ring1][#Branch2] | O=c1c(=Cc2ccc(F)cc2)sc2nnc4n12.c14ccco1 |
8618 | Cc1cc(C)c2c3c(oc2n1)C(=O)N(c1ccc(F)cc1)CC(=O)N3 | [C][C][=C][C][Branch1][C][C][=C][C][=C][Branch1][Branch2][O][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | Cc1cc(C)c2c3c(oc2n1)C(=O)N4CC(=O)N3.c14ccc(F)cc1 |
8619 | Cc1cc(C)c2c3c(oc2n1)C(=O)N(c1ccccc1)CC(=O)N3 | [C][C][=C][C][Branch1][C][C][=C][C][=C][Branch1][Branch2][O][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][C] | Cc1cc(C)c2c3c(oc2n1)C(=O)N4CC(=O)N3.c14ccccc1 |
8620 | NS(=O)(=O)c1ccc(NC(=O)CN2CCCc3ccccc32)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | NS(=O)(=O)c1ccc6cc1.N15CCCc2ccccc21.C4(=O)C5.N46 |
8621 | CCc1ccccc1OCC(=O)NCc1ccco1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc14.c16ccco1.C3C2=O.CC7.O34.N25.C56 |
8622 | Cc1cc(Br)cc(C)c1OCC(=O)NCc1ccco1 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1cc(Br)cc(C)c14.c16ccco1.C3C2=O.O34.N25.C56 |
8623 | NS(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc32)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | NS(=O)(=O)c1ccc6cc1.N15CCc2ccccc21.C4(=O)C5.N46 |
8624 | Cc1cc(Br)cc(C)c1OCC(=O)N1CCOCC1 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1cc(Br)cc(C)c14.N12CCOCC1.C3C2=O.O34 |
8625 | CCc1ccccc1OCC(=O)Nc1nccs1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c16ccccc14.c15nccs1.C3C2=O.CC6.O34.N25 |
8626 | Cc1cc(Br)cc(C)c1OCC(=O)Nc1nccs1 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | Cc1cc(Br)cc(C)c14.c15nccs1.C3C2=O.O34.N25 |
8627 | O=S(=O)(NCCc1ccccn1)c1ccc2c(c1)OCCCO2 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2] | O=S4(=O)c1ccc2c(c1)OCCCO2.c15ccccn1.C3C5.N34 |
8628 | COc1ccc(OC)c(S(=O)(=O)NCCc2ccccn2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c13ccc4c(S6(=O)=O)c1.c17ccccn1.C5C7.CO3.O4C.N56 |
8629 | COc1ccc(-n2ncc(C(=O)NCCc3ccccn3)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S][C][C][=C][Ring2][Ring1][#Branch1] | c15ccc9cc1.n19ncc7c1C.c18ccccn1.C47=O.C6C8.CO5.N46 |
8630 | Cc1nc(-c2cnccn2)sc1C(=O)NCCc1ccccn1 | [C][C][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1nc7sc15.c17cnccn1.c16ccccn1.C35=O.C4C6.N34 |
8632 | Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc2nccnc2c1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14ccc2nccnc2c1.Cn1nc6cc15.C6(C)(C)C.C35=O.N34 |
8633 | O=C(NCc1csc(-c2cccs2)n1)C1CC1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][C][C][Ring1][Ring1] | c16csc7n1.c17cccs1.O=C35.C15CC1.N34.C46 |
8634 | COc1ccc(C(=O)NCc2csc(-c3cccs3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.c18csc9n1.c19cccs1.C47=O.CO5.N46.C68 |
8635 | CCC(=O)NCc1csc(-c2cccs2)n1 | [C][C][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | c15csc6n1.c16cccs1.CCC3=O.N34.C45 |
8637 | O=C(NCc1csc(-c2cccs2)n1)c1ccco1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1] | c16csc7n1.c17cccs1.c15ccco1.O=C35.N34.C46 |
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