ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
9558 | CCOc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | n17c(N)c(C#N)c2nc3ccccc3nc21.c16ccc7cc1.CC5.O56 |
9559 | COC(=O)c1ccc(NC(=O)COc2ccc(C)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c18ccc7cc1.c16ccc(C)cc1.C4(=O)C5.C38=O.CO3.N47.O56 |
9560 | CCn1cc(C(=O)Nc2ccccc2)c(=O)c2cc(Cl)ccc21 | [C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1] | n16cc5c(=O)c2cc(Cl)ccc21.c14ccccc1.C35=O.CC6.N34 |
9561 | CCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2][Ring1][#Branch2] | c16c(N)n7c2nc3ccccc3nc12.c18ccco1.C46=O.CC5.O45.C78 |
9562 | N#Cc1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 | [N][#C][C][=C][Branch1][C][N][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2][Ring1][#Branch2] | N#Cc1c(N)n4c2nc3ccccc3nc12.c15ccco1.C45 |
9564 | CC1c2ccsc2CCN1S(=O)(=O)c1ccccc1 | [C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1c2ccsc2CCN13.S3(=O)(=O)c1ccccc1 |
9565 | Cc1cc(C)n(C(=O)CCC(=O)Nc2ccccc2Cl)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n(C(=O)CCC3=O)n1.c14ccccc1Cl.N34 |
9566 | COc1cccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S][=C][Ring2][Ring1][=Branch1] | n16c(N)c(C#N)c2nc3ccccc3nc21.c15cccc6c1.CO5 |
9567 | CC1c2ccsc2CCN1S(=O)(=O)c1cccs1 | [C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | CC1c2ccsc2CCN13.S3(=O)(=O)c1cccs1 |
9568 | CCOc1ncnc2ccc(Br)cc12 | [C][C][O][C][=N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1] | c14ncnc2ccc(Br)cc12.CC3.O34 |
9569 | Cc1cccc(Cl)c1-n1sc(=O)n(CC2CC2)c1=O | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][S][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][=O] | Cc1cccc(Cl)c15.n15sc(=O)n3c1=O.C14CC1.C34 |
9570 | O=c1sn(-c2ccccc2C(F)(F)F)c(=O)n1CC1CC1 | [O][=C][S][N][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][Ring1][S][C][C][C][C][Ring1][Ring1] | O=c1sn6c(=O)n13.c16ccccc15.C5(F)(F)F.C14CC1.C34 |
9571 | O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1 | [O][=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] | c14ccc2c(c1)OCCO2.c15ccccc1.O=C35.N34 |
9572 | COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 | [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][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc2c(c1)OCCO2.c15ccc7cc1.C47=O.CO5.N46 |
9573 | O=C(Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1 | [O][=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][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c15ccc(F)cc1.O=C35.N34 |
9574 | O=S(=O)(c1cc(Cl)ccc1Cl)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1cc(Cl)ccc1Cl.N12CCOCC1 |
9575 | O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][C][C][C][Ring1][=Branch1] | O=S2(=O)c1cc(Cl)ccc1Cl.N12CCCCC1 |
9578 | COC(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 | [C][O][C][=Branch1][C][=O][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][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c16ccccc17.C36=O.C47=O.CO3.N45 |
9579 | COC(=O)c1ccccc1C(=O)Nc1ccccn1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccccc16.c14ccccn1.C25=O.C36=O.CO2.N34 |
9580 | COC(=O)c1ccccc1C(=O)Nc1nc(C)cc(C)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | c14nc(C)cc(C)n1.c15ccccc16.C25=O.C36=O.CO2.N34 |
9581 | COC(=O)NC1c2ccccc2Oc2ccc(C)cc21 | [C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][#C] | N4C1c2ccccc2Oc2ccc(C)cc21.C34=O.CO3 |
9582 | CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccc(C)cc2)s1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][N][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][S] | S5(=O)(=O)c1ccc(C)cc1.c17cnc6s1.C3(=O)C7.CC4.O34.N56 |
9583 | CCOC(=O)Cc1cnc(NC(=O)c2ccccc2)s1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=C] | c18cnc6s1.c17ccccc1.C3(=O)C8.C47=O.CC5.O35.N46 |
9584 | Cc1ccc(-c2nn(CCO)c(=O)c3ccccc23)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C] | c15nn4c(=O)c2ccccc12.Cc1ccc5cc1C.C4CO |
9585 | O=c1c2ccccc2c(-c2ccc(F)cc2)nn1CCO | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][P][C][C][O] | O=c1c2ccccc2c4nn13.c14ccc(F)cc1.C3CO |
9587 | Cc1ccccc1NC1=NS(=O)(=O)c2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.Cc1ccccc13 |
9592 | c1ccc(-c2cc3c(-n4cccc4)ncnc3o2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][N][=C][N][=C][Ring1][O][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c16cc2c5ncnc2o1.c1ccc6cc1.n15cccc1 |
9593 | COc1cccc(-c2cc3c(-n4cccc4)ncnc3o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][N][=C][N][=C][Ring1][O][O][Ring1][=C][=C][Ring2][Ring1][Ring2] | c17cc2c6ncnc2o1.c15cccc7c1.n16cccc1.CO5 |
9594 | COc1cccc(-c2cc(C#N)c(NC(=O)c3cccs3)o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#C][=C][Ring2][Ring1][Branch1] | c18cc(C#N)c6o1.c15cccc8c1.c17cccs1.C47=O.CO5.N46 |
9604 | Cc1ccc(-n2nnc3ccccc3c2=O)cc1C | [C][C][=C][C][=C][Branch1][S][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P][C] | n14nnc2ccccc2c1=O.Cc1ccc4cc1C |
9605 | CC1CC(NC(=O)c2ccccc2N)CC(C)(C)C1 | [C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C] | CC1CC4CC(C)(C)C1.c15ccccc1N.C35=O.N34 |
9607 | CNc1ccc(Cl)cc1C(=O)NC1CCCCC1 | [C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c13ccc(Cl)cc15.C14CCCCC1.C25=O.CN3.N24 |
9608 | CN1C(=O)CN(C2CCCCC2)C(=O)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | CN1C(=O)CN3C(=O)c2ccccc21.C13CCCCC1 |
9611 | CNc1ccccc1C(=O)NCCc1ccccc1 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc15.c16ccccc1.C25=O.C3C6.CN4.N23 |
9612 | CNc1ccc(Cl)cc1C(=O)NCc1ccco1 | [C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c14ccc(Cl)cc15.c16ccco1.C25=O.CN4.N23.C36 |
9614 | CC(C)Oc1ccc(NC(=O)c2ccncc2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc6cc1.c17ccncc1.CC4C.C37=O.O45.N36 |
9615 | CC(C)Oc1ccc(NC(=O)c2cncc(Br)c2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc6cc1.c17cncc(Br)c1.CC4C.C37=O.O45.N36 |
9616 | CC(C)Oc1ccc(NC(=O)C2COc3ccccc3O2)cc1 | [C][C][Branch1][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.CC5C.C48=O.O56.N47 |
9617 | COc1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][S][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c16ccc2nc7sc2c1.C18COc2ccccc2O1.C58=O.CO6.N57 |
9618 | Cc1ccc(C)c(OCC(=O)Nc2ccc(C(N)=O)cc2)c1C | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Branch1][C] | Cc1ccc(C)c5c1C.c16ccc7cc1.C4C3=O.C7(N)=O.O45.N36 |
9619 | Cc1ccc(C)c(OCC(=O)NCc2ccco2)c1C | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][C][C] | Cc1ccc(C)c5c1C.c17ccco1.C4C3=O.O45.N36.C67 |
9620 | Cc1ccc(C)c(OCC(=O)Nc2nccs2)c1C | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][P][C] | Cc1ccc(C)c5c1C.c16nccs1.C4C3=O.O45.N36 |
9622 | Cc1sc2ncn(CC(=O)OCc3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2ncn6c(=O)c2c1C.c17ccccc1.C6C4=O.O45.C57 |
9623 | Cc1sc2ncn(C(C)C(=O)OCc3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch2][Ring1][Ring1][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C] | Cc1sc2ncn6c(=O)c2c1C.c17ccccc1.C6(C)C4=O.O45.C57 |
9624 | CCOC(=O)C(C)n1cnc2sc3c(c2c1=O)CCC(C)C3 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | n16cnc2sc3c(c2c1=O)CCC(C)C3.C4(=O)C6C.CC5.O45 |
9626 | CCC(C(=O)OC(C)C)n1cnc2sc(C)c(C)c2c1=O | [C][C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O] | n15cnc2sc(C)c(C)c2c1=O.CCC5C3=O.C4(C)C.O34 |
9627 | Cc1sc2ncn(Cc3ccc(F)cc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | Cc1sc2ncn4c(=O)c2c1C.c15ccc(F)cc1.C45 |
9628 | NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O | [N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][Ring1][#C][=O] | n14cnc2sc5cc2c1=O.c15ccccc1.NC(=O)C4 |
9629 | COc1cc(C2Nc3ccccc3O2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc7cc5c16.C17Nc2ccccc2O1.CO4.O5C.O6C |
9630 | c1nc(NCC2CCCO2)c2c3c(sc2n1)CCCC3 | [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][C][Ring1][=Branch2] | c1nc5c2c3c(sc2n1)CCCC3.C16CCCO1.N45.C46 |
9632 | CC(C)Cn1cnc2sc3c(c2c1=O)CCCC3 | [C][C][Branch1][C][C][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2] | n14cnc2sc3c(c2c1=O)CCCC3.CC(C)C4 |
9633 | CC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O | [C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O] | n13cnc2sc(C)c(C)c2c1=O.CC(=O)C3C |
9634 | CCOC(=O)c1sc2ncn(CC(=O)OC)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=Ring1][N][C][=Ring1][#C][C] | c16sc2ncn7c(=O)c2c1C.C7C4=O.C36=O.CC5.O35.O4C |
9635 | CCOC(=O)Cn1cnc2sc(C(=O)OCC)c(C)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][C][=Ring1][O][C][Ring1][#C][=O] | n18cnc2sc7c(C)c2c1=O.C3(=O)C8.C47=O.CC5.O35.O46.C6C |
9636 | CCOC(=O)c1sc2ncn(C(C)C(=O)OC)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=Ring1][=N][C][=Ring1][S][C] | c16sc2ncn7c(=O)c2c1C.C7(C)C4=O.C36=O.CC5.O35.O4C |
9637 | CC(C)OC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C][=O] | n16cnc2scc7c2c1=O.c17ccccc1.C4(=O)C6.CC5C.O45 |
9638 | CCn1cnc2scc(-c3ccccc3)c2c1=O | [C][C][N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C][=O] | n14cnc2scc5c2c1=O.c15ccccc1.CC4 |
9639 | CCCn1cnc2scc(-c3ccccc3)c2c1=O | [C][C][C][N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C][=O] | n14cnc2scc5c2c1=O.c15ccccc1.CCC4 |
9640 | NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O | [N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C][=O] | n14cnc2scc5c2c1=O.c15ccccc1.NC(=O)C4 |
9641 | N#CCn1cnc2scc(-c3ccccc3)c2c1=O | [N][#C][C][N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C][=O] | n14cnc2scc5c2c1=O.c15ccccc1.N#CC4 |
9643 | O=C(CSc1nc2ccccc2o1)NCc1ccco1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17nc2ccccc2o1.c16ccco1.O=C3C5.S57.N34.C46 |
9646 | NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O | [N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | n14cnc2scc5c2c1=O.c15ccc(Cl)cc1.NC(=O)C4 |
9647 | N#CCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O | [N][#C][C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | n14cnc2scc5c2c1=O.c15ccc(Cl)cc1.N#CC4 |
9648 | CC(=O)C(C)n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O | [C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | n14cnc2scc5c2c1=O.c15ccc(Cl)cc1.CC(=O)C4C |
9649 | COc1ccc(C2Nc3cc(C)ccc3O2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][Ring1][S][O][C] | C16Nc2cc(C)ccc2O1.c14ccc6cc15.CO4.O5C |
9650 | CCOC(=O)c1sc2ncn(Cc3ccccc3)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | c16sc2ncn7c(=O)c2c1C.c18ccccc1.C46=O.CC5.O45.C78 |
9651 | CC(=O)Nc1ccc(C2Nc3cc(C)ccc3O2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][Ring1][S] | C16Nc2cc(C)ccc2O1.c15ccc6cc1.CC4=O.N45 |
9652 | CCc1cccc(CC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] | c17cc3c4c5c1.c18cccc9c16.C27=O.CC8.C9C.N26.O3C.O4C.O5C |
9653 | CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(OC)c1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17cccc8c15.c16ccc3c4c1.C26=O.CC7.C8C.N25.O3C.O4C |
9654 | CCc1cccc(CC)c1NC(=O)c1ccncc1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15cccc6c13.c14ccncc1.C24=O.CC5.C6C.N23 |
9655 | CCc1cccc(CC)c1NC(=O)c1cncc(Br)c1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c15cccc6c13.c14cncc(Br)c1.C24=O.CC5.C6C.N23 |
9656 | Fc1ccc(-c2cn3nc(C(F)(F)F)sc3n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][C][Ring1][=Branch2][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c15cn2nc4sc2n1.Fc1ccc5cc1.C4(F)(F)F |
9657 | Cc1ccc(-c2cn3nc(C(F)(F)F)sc3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][C][Ring1][=Branch2][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c15cn2nc4sc2n1.Cc1ccc5cc1.C4(F)(F)F |
9658 | CCOc1ccccc1OCC(=O)Nc1cc(C)ccc1OC | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C] | c18cc(C)ccc17.c15ccccc16.C4C2=O.CC3.O35.O46.N28.O7C |
9659 | Nc1ccc(Cl)cc1C(=O)NCc1ccncc1 | [N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Nc1ccc(Cl)cc14.c15ccncc1.C24=O.N23.C35 |
9660 | Nc1ccc(Cl)cc1C(=O)NCc1ccccn1 | [N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Nc1ccc(Cl)cc14.c15ccccn1.C24=O.N23.C35 |
9661 | Cc1ccc(S(=O)(=O)NCc2ccccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | Cc1ccc(S4(=O)=O)cc1.c15ccccn1.N34.C35 |
9662 | CCOc1ccccc1OCC(=O)Nc1ccc(OC)c(Cl)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2] | c18ccc7c(Cl)c1.c15ccccc16.C4C2=O.CC3.O35.O46.N28.O7C |
9663 | COc1ccc(C)cc1NC(=O)c1cc2ccccc2oc1=O | [C][O][C][=C][C][=C][Branch1][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] | c16cc2ccccc2oc1=O.c14ccc(C)cc15.C36=O.CO4.N35 |
9664 | COc1ccc(C)cc1NC(=O)C1COc2ccccc2O1 | [C][O][C][=C][C][=C][Branch1][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.c14ccc(C)cc15.C36=O.CO4.N35 |
9665 | COc1ccc(C)cc1NC(=O)c1cncc(Br)c1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13ccc(C)cc14.c15cncc(Br)c1.C25=O.CO3.N24 |
9666 | Cc1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][S][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2nc6sc2c1.C17COc2ccccc2O1.C57=O.N56 |
9667 | O=C(NCc1ccccn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] | c14cc6cc7c1.c15ccccn1.C6(F)(F)F.C7(F)(F)F.O=C24.N23.C35 |
9668 | Cc1cc(C)c(NC(=O)c2ccncc2)c(Cl)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P] | Cc1cc(C)c4c(Cl)c1.c15ccncc1.C35=O.N34 |
9669 | O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC=CCC1 | [O][=C][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][N][C][C][=C][C][C][Ring1][=Branch1] | c13cc4cc5c1.N12CC=CCC1.C4(F)(F)F.C5(F)(F)F.O=C23 |
9670 | COc1cc(Cl)c(C)cc1NC(=O)c1ccco1 | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c13cc(Cl)c(C)cc14.c15ccco1.C25=O.CO3.N24 |
9671 | COc1cc(Cl)c(C)cc1NC(=O)c1cccnc1 | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cc(Cl)c(C)cc14.c15cccnc1.C25=O.CO3.N24 |
9672 | COc1cc(Cl)c(C)cc1NC(=O)c1ccncc1 | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13cc(Cl)c(C)cc14.c15ccncc1.C25=O.CO3.N24 |
9673 | COc1cc(Cl)c(C)cc1NC(=O)C1COc2ccccc2O1 | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C16COc2ccccc2O1.c14cc(Cl)c(C)cc15.C36=O.CO4.N35 |
9674 | COc1ccc(NC(=O)c2cccnc2)cc1Cl | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c14ccc5cc1Cl.c16cccnc1.C36=O.CO4.N35 |
9676 | CCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c14nc2ccc(S(C)(=O)=O)cc2s1.CCC3=O.N34 |
9677 | CCCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 | [C][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c14nc2ccc(S(C)(=O)=O)cc2s1.CCCC3=O.N34 |
9678 | CC(C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c14nc2ccc(S(C)(=O)=O)cc2s1.CC(C)C3=O.N34 |
9679 | CS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C] | CS(=O)(=O)c1ccc2nc5sc2c1.c16cccnc1.C46=O.N45 |
9682 | CCOC(=O)c1sc(NC(=O)c2cccs2)c(C#N)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=Ring1][#C][C] | c17sc6c(C#N)c1C.c18cccs1.C37=O.C48=O.CC5.O35.N46 |
9684 | COc1ccc(NC(=O)COc2cccc(Cl)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c15ccc8cc17.c16cccc(Cl)c1.C3(=O)C4.CO5.N38.O46.O7C |
9685 | Nc1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1 | [N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][S] | Nc1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1 |
9686 | Cc1ccc(-c2nnc(-c3ccncc3)o2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc4c(C)c1.c14nnc5o1.c15ccncc1 |
9687 | CCOC(=O)c1sc2ccc(NC(C)=O)cc2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=Ring1][=N][C] | c17sc2ccc6cc2c1C.C37=O.C4(C)=O.CC5.O35.N46 |
9688 | CCc1cccc(OCC(=O)NCC2CCCO2)c1 | [C][C][C][=C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][P] | c18cccc5c1.C17CCCO1.C4C3=O.CC8.O45.N36.C67 |
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