ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
19549 | CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2] | CC1CCN3CC1.c16ccccc15.c17ccc(F)cc1.C36=O.C47=O.N45 |
19551 | Cc1ccccc1NC(=O)C1CCCN1C(=O)Oc1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc16.C17CCCN14.c15ccccc1.C37=O.C24=O.N36.O25 |
19552 | Cc1cccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | Cc1cccc7c1.C18CCCN15.c16ccccc1.C48=O.C35=O.N47.O36 |
19553 | Cc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.C18CCCN15.c16ccccc1.C48=O.C35=O.N47.O36 |
19554 | COc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][O][C] | c13ccc5c(O)c14.c15n[nH]c(C)c16.c16ccccc1.CO3.O4C |
19555 | COc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | c16ccc8cc1.C19CCCN15.c17ccccc1.C49=O.C35=O.CO6.N48.O37 |
19556 | COc1ccccc1NC(=O)C1CCCN1C(=O)Oc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc17.C18CCCN14.c16ccccc1.C38=O.C24=O.CO5.N37.O26 |
19557 | CCC(CO)NC(=O)C1COc2ccccc2O1 | [C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.CCC4CO.C35=O.N34 |
19558 | COC(=O)c1c(C)oc2ccc(OCC(=O)OC(C)C)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][Ring1][=C] | c18c(C)oc2ccc7cc12.C5C4=O.C38=O.C6(C)C.CO3.O57.O46 |
19559 | CC(=O)Oc1ccc2oc(C)c(C(=O)N3CCOCC3)c2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][C] | c16ccc2oc(C)c7c2c1.N15CCOCC1.CC4=O.C57=O.O46 |
19560 | CN(C)S(=O)(=O)c1ccc2cc(O)ccc2c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | S3(=O)(=O)c1ccc2cc(O)ccc2c1.CN3C |
19561 | COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c17ccc2c(c1)OCO2.c15ccc8c6c1.C48=O.CO5.N47.O6C |
19562 | CC(C)(CO)NC(=O)C1COc2ccccc2O1 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.CC4(C)CO.C35=O.N34 |
19563 | COc1ccccc1OCC(=O)NC1CCCCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1] | c14ccccc15.C16CCCCCC1.C3C2=O.CO4.O35.N26 |
19564 | COc1cc(COc2ccc3ccc(=O)oc3c2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c16ccc2ccc(=O)oc2c1.c15cc9cc7c18.CO5.C49.O46.O7C.O8C |
19566 | COc1ccc(C(=O)N(C(C)C)C(C)C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][P] | c13ccc7c4c1.C27=O.N256.C5(C)C.C6(C)C.CO3.O4C |
19567 | CC(NC(=O)c1ccccc1F)c1nc2ccccc2[nH]1 | [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.c15ccccc1F.CC46.C35=O.N34 |
19568 | C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 | [C][=C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15c6nnc17.c14ccccc1.c17ccncc1.C3C4=O.C=CC5.S36 |
19569 | CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCC(N)=O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C][Ring1][O] | c17c8oc2ccc6cc12.C8(C)(C)C.C5C(N)=O.C37=O.CC4.O34.O56 |
19570 | COC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][O][C][Ring1][=N][=O] | c14c(C)c2ccc(O)c(C)c2oc1=O.C3(=O)C4.CO3 |
19571 | O=S(=O)(Nc1ccc(Cl)cc1F)c1cccc2cccnc12 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | O=S3(=O)c1cccc2cccnc12.c14ccc(Cl)cc1F.N34 |
19572 | Cc1ccc(C)c(NC(=O)C2CC(=O)OC23CCCCC3)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | C16CC(=O)OC12CCCCC2.Cc1ccc(C)c5c1.C46=O.N45 |
19573 | c1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][N][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | n16ncc2c5ncnc21.c1ccc7cc1.N15CCCCC1.C67 |
19575 | CC12CCC(C(=O)Nc3ccc(Cl)cc3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][=Branch1][C][C][Ring1][S][=O][C][Ring2][Ring1][C][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.c15ccc(Cl)cc1.C46=O.N45 |
19576 | CCC(C)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | C16CCN4CC1.c17ccccc1.CCC5C.C36=O.C47=O.N35 |
19577 | CNc1c2c(c(C#N)c3nc4ccccc4n13)CCC2 | [C][N][C][=C][C][=Branch2][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][Ring1][=Branch2][C][C][C][Ring1][P] | c15c2c(c(C#N)c3nc4ccccc4n13)CCC2.CN5 |
19578 | CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][C][N][Branch1][Ring1][C][C][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] | S6(=O)(=O)c1ccccc1.C17CCN6CC1.N345.C37=O.CC4.C5C |
19580 | COc1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c16ccc8cc1.N14CCC7CC1.N15CCOCC1.C48=O.C57=O.CO6 |
19581 | CN(C)C(=O)c1cc2cc(Br)ccc2oc1=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c14cc2cc(Br)ccc2oc1=O.CN3C.C34=O |
19582 | Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(-c2ccccc2)o1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Branch2] | c15ccc2c(c1)OCCO2.Cc1cc6c7o1.c17ccccc1.C46=O.N45 |
19584 | COc1cc2c(cc1OC)CN(C(=O)c1ccc(C)cc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1] | c14cc2c(cc15)CN3CC2.c16ccc(C)cc1.C36=O.CO4.O5C |
19585 | CCCC12CN(C(=O)CC)CC(CCC)(CN(C(=O)CC)C1)C2=O | [C][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][C][C][Branch1][#C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][Ring2][=O] | C125CN3CC6(CN4C1)C2=O.C3(=O)CC.C4(=O)CC.CCC5.C6CC |
19586 | COC(=O)c1c(N)n(CCO)c2nc3ccccc3nc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][Ring2][C][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][P][Ring1][#Branch2] | c15c(N)n6c2nc3ccccc3nc12.C45=O.C6CO.CO4 |
19587 | CC12CCC(C(=O)Nc3ccc(Cl)cn3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][Branch1][=Branch1][C][C][Ring1][S][=O][C][Ring2][Ring1][C][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.c15ccc(Cl)cn1.C46=O.N45 |
19589 | Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc6cc1.C17CCN5CC1.c18ccccc1C.C47=O.C58=O.N46 |
19590 | CC1(C)C(=O)C2(C(=O)N3CCOCC3)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][S][C][Ring1][=N] | CC1(C)C(=O)C25CCC1C2.N14CCOCC1.C45=O |
19591 | O=S1(=O)N=C(Nc2ccccn2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | O=S1(=O)N=C(N3)c2ccccc21.c13ccccn1 |
19592 | Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][N][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][=C][Ring2][Ring1][Branch2] | Cc1cccc6c1.C17CCN5CC1.c18ccc(F)cc1.C47=O.C58=O.N46 |
19593 | CCOC(=O)c1cnn(C(=O)c2ccccc2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N][N] | c15cnn(C6=O)c1N.c16ccccc1.C35=O.CC4.O34 |
19595 | CC12CCC(C(=O)NC3CCCCC3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][O][C][Ring1][#C][=O][C][Ring1][P][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.C15CCCCC1.C46=O.N45 |
19596 | Cc1nnc2c(N3CCC(C)CC3)nc3ccccc3n12 | [C][C][=N][N][=C][C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][Ring1][P] | Cc1nnc2c4nc3ccccc3n12.N14CCC(C)CC1 |
19597 | CCC(C)NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 | [C][C][C][Branch1][C][C][N][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.CCC5C.C36=O.C47=O.N35 |
19598 | CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] | c13ccc(Cl)cc14.CCC2=O.C4(F)(F)F.N23 |
19599 | O=C(CSc1ncn[nH]1)Nc1ccc2ccccc2c1 | [O][=C][Branch1][#Branch2][C][S][C][=N][C][=N][NH1][Ring1][Branch1][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ccccc2c1.c16ncn[nH]1.O=C3C4.S46.N35 |
19600 | Cn1ccnc1SCC(=O)Nc1ccc2ccccc2c1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ccccc2c1.Cn1ccnc16.C4C3=O.S46.N35 |
19601 | CC1CCCCC1NS(=O)(=O)c1ccc(F)cc1 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(F)cc1.CC1CCCCC13.N23 |
19603 | O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1cc3ccc1Cl.N12CCOCC1.C3(F)(F)F |
19604 | Cc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1C | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C] | Cc1cc(C)c(S4(=O)=O)cc1C.c15cccnc1.N34.C35 |
19605 | CC1CCCC(C)N1S(=O)(=O)c1ccc(N)cc1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(N)cc1.CC1CCCC(C)N12 |
19606 | OCc1nc2ccccc2n1Cc1ccc(Br)cc1 | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14nc2ccccc2n13.c15ccc(Br)cc1.OC4.C35 |
19607 | CC12CCC(C(=O)Nc3cccc4ccccc34)(OC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][Branch1][#Branch1][O][C][Ring2][Ring1][Ring1][=O][C][Ring2][Ring1][Branch1][Branch1][C][C][C] | CC12CCC7(OC1=O)C2(C)C.c16cccc2ccccc12.C57=O.N56 |
19608 | COc1cccc(CNn2cnnc2)c1OCc1ccc(Cl)cc1 | [C][O][C][=C][C][=C][C][Branch1][#Branch2][C][N][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][=N][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14cccc6c15.C6Nn1cnnc1.c17ccc(Cl)cc1.CO4.O35.C37 |
19609 | CCOc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c14ccc(S5(=O)=O)cc1.c16cc(C)ccn1.CC3.O34.N56 |
19610 | O=C(Nc1cnc2sccn2c1=O)c1ccc(F)cc1 | [O][=C][Branch1][S][N][C][=C][N][=C][S][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cnc2sccn2c1=O.c15ccc(F)cc1.O=C35.N34 |
19611 | CC(=O)Nn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C | [C][C][=Branch1][C][=O][N][N][C][=C][C][=Branch1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C] | CC(=O)Nn1cc2c(c13)c(=O)n(C)c(=O)n2C.c13ccccc1 |
19613 | COc1ccc(C2CC(=O)c3cnc(NC(C)=O)nc3C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][=C][Ring1][#Branch2][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | C18CC(=O)c2cnc7nc2C1.c15ccc8cc16.C4(C)=O.CO5.N47.O6C |
19614 | CCC(=O)Nc1ncc2c(n1)CC(c1ccccc1Cl)CC2=O | [C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=C][=O] | c14ncc2c(n1)CC5CC2=O.c15ccccc1Cl.CCC3=O.N34 |
19615 | COc1c(S(=O)(=O)n2nc(C)cc2C)ccc(Cl)c1Cl | [C][O][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][Cl][=C][Ring1][P][Cl] | c13c(S(=O)(=O)n2nc(C)cc2C)ccc(Cl)c1Cl.CO3 |
19617 | Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.N13CCC(C)CC1.C4C3=O.N45 |
19618 | COC(C(=O)NCc1ccncc1)c1ccccc1 | [C][O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccncc1.c15ccccc1.C35C2=O.CO3.N24.C46 |
19619 | O=S(=O)(NCC1CCCO1)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S4(=O)c1ccc2c(c1)OCCO2.C15CCCO1.N34.C35 |
19620 | CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | c18ccccc15.C16CCN4CC1.c17ccccc1.C36=O.C47=O.CC8.N35 |
19621 | Cc1ccc(C)c(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C)c6c1.N13CCC(C)CC1.C4C3=O.S5(C)(=O)=O.N456 |
19622 | O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][N][C][C][C][C][C][Ring1][=Branch1] | n14cnc2c(cnn25)c1=O.c15ccccc1.N13CCCCC1.O=C3C4 |
19623 | Cc1cccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] | Cc1cccc7c1.c18ccncc1.C4C3=O.S6(C)(=O)=O.N467.N35.C58 |
19625 | Cc1ccc(Cl)cc1N(CC(=O)NC1CC1)S(C)(=O)=O | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccc(Cl)cc15.C3C2=O.S4(C)(=O)=O.N345.C16CC1.N26 |
19626 | Cc1ccc(N(CC(=O)NC2CC2)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C][C] | Cc1ccc6cc1C.C4C3=O.S5(C)(=O)=O.N456.C17CC1.N37 |
19627 | Cc1ccc(N(CC(=O)NC2CC2)S(C)(=O)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6c(C)c1.C4C3=O.S5(C)(=O)=O.N456.C17CC1.N37 |
19628 | Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C] | Cc1cc(C)c(S5(=O)=O)cc1C.c16ccc2c(c1)OCO2.N45.C46 |
19629 | CC1CCN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 | [C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring1][Branch1] | CC1CCN3CC1.c16ccc(F)cc1.C3(=O)C4.S5(C)(=O)=O.N456 |
19632 | COC(=O)c1c(C(=O)OC)c2n(c1C)Cc1ccccc1C2 | [C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][N][Branch1][Branch1][C][=Ring1][=Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c15c6c2n(c1C)Cc1ccccc1C2.C35=O.C46=O.CO3.O4C |
19633 | COc1ccc(Br)cc1S(=O)(=O)N1CCCC(C)C1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c12ccc(Br)cc1S3(=O)=O.N13CCCC(C)C1.CO2 |
19635 | CC1CN(C(=O)c2ccc(F)cc2)CCN1C(=O)c1ccc(F)cc1 | [C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | CC1CN3CCN14.c15ccc(F)cc1.c16ccc(F)cc1.C35=O.C46=O |
19637 | CC(C)c1ccc(S(=O)(=O)Nc2ccccn2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc(S3(=O)=O)cc1.c14ccccn1.CC5C.N34 |
19638 | CC(C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S] | c16ccc(S4(=O)=O)cc1.c15ccco1.CC6C.N34.C35 |
19639 | CCN(CC)S(=O)(=O)c1ccc(Cl)c(C)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2] | S4(=O)(=O)c1ccc(Cl)c(C)c1.N234.CC2.C3C |
19641 | COc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(Cl)cc1S4(=O)=O.c15ccccc1.CO2.N34.C35 |
19642 | COc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1Cl | [C][O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][S][Cl] | c13cc(S(=O)(=O)n2nc(C)cc2C)ccc1Cl.CO3 |
19643 | Cc1cc(C)c(S(=O)(=O)NCc2ccncc2)cc1C | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C] | Cc1cc(C)c(S4(=O)=O)cc1C.c15ccncc1.N34.C35 |
19644 | CCN(CC)S(=O)(=O)c1ccc(Cl)c(OC)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] | S5(=O)(=O)c1ccc(Cl)c2c1.N345.CC3.C4C.O2C |
19645 | COc1cc(C)ccc1S(=O)(=O)NCc1ccccc1 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12cc(C)ccc1S4(=O)=O.c15ccccc1.CO2.N34.C35 |
19646 | COc1cc(C)ccc1S(=O)(=O)n1nc(C)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | c12cc(C)ccc1S(=O)(=O)n1nc(C)cc1C.CO2 |
19647 | COc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C] | c13cc(C)c(S4(=O)=O)cc1C.N14CCCCC1.CO3 |
19648 | COc1cc(C)c(S(=O)(=O)N2CCC(C)CC2)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P][C] | c13cc(C)c(S4(=O)=O)cc1C.N14CCC(C)CC1.CO3 |
19649 | COc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1C | [C][O][C][=C][C][Branch1][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][P][C] | c13cc(C)c(S4(=O)=O)cc1C.N14CCCC(C)C1.CO3 |
19650 | CC12CCC(C(=O)Nc3ccccc3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch1][C][C][Ring1][#C][=O][C][Ring1][P][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.c15ccccc1.C46=O.N45 |
19651 | COc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][C] | c13cc(C)c(S4(=O)=O)cc1C.N14CCOCC1.CO3 |
19652 | CCC(=O)N1CC2(C)CN(C(=O)CC)CC(C)(C1)C2=O | [C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][=C][C][Ring1][=N][=O] | N13CC2(C)CN4CC(C)(C1)C2=O.CCC3=O.C4(=O)CC |
19653 | COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1C | [C][O][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][=C][Ring1][S][C] | c13cc(S4(=O)=O)c(C)cc1C.N14CCOCC1.CO3 |
19655 | Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Branch2] | Cc1cc6cc(C)c1.C17CCN5CC1.c18ccccc1.C47=O.C58=O.N46 |
19656 | COc1ccc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c16ccc9cc1.N14CCC8CC1.C17CCCCC1.C49=O.C58=O.CO6.N57 |
19659 | CC(Sc1ccccc1)C(=O)NCc1ccco1 | [C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc1.CC4C2=O.c15ccco1.S46.N23.C35 |
19660 | O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCC1 | [O][=C][Branch2][Ring1][=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][C][Ring1][S][N][C][C][C][C][Ring1][Branch1] | S4(=O)(=O)c1ccc(F)cc1.C15CCN4CC1.N13CCCC1.O=C35 |
19661 | Cc1ccccc1OCC(=O)N1CCc2ccccc2C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.Cc1ccccc15.C4C3=O.O45 |
19662 | Cc1cccc(C)c1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cccc(C)c15.N12CCC(C)CC1.C3C2=O.S4(C)(=O)=O.N345 |
19663 | CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccnc1.c15ccccc1.CS4(=O)=O.C3C2=O.N345.N26 |
19664 | Cc1ccccc1C(=O)N1CCC(C(=O)NC2CCCCC2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | Cc1ccccc17.N13CCC6CC1.C15CCCCC1.C37=O.C46=O.N45 |
19665 | CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc(F)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.c17ccncc1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
19666 | Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C] | Cc1ccccc15.C16CCN4CC1.c17ccccc1C.C36=O.C47=O.N35 |
19667 | CC(Sc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 | [C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16ccccc1.CC4C3=O.S46.N35 |
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