ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
22671 | Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | S3(=O)(=O)c1ccc(Cl)c(C)c1.Cc1cccc4n1.N34 |
22672 | CCCC(=O)Nc1cccc(C(=O)NCC(C)C)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][Ring1][=N] | c15cccc6c1.CCCC2=O.C4C(C)C.C36=O.N25.N34 |
22674 | COc1ccc(-c2nc3ccc(O)cc3c(=O)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][N][C][=C][Ring2][Ring1][C] | c15nc2ccc(O)cc2c(=O)o1.c14ccc5cc1.CO4 |
22675 | COc1ccc2cc(S(=O)(=O)NCc3ccco3)ccc2c1 | [C][O][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][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c14ccc2cc(S6(=O)=O)ccc2c1.c17ccco1.CO4.N56.C57 |
22677 | COc1ccc(C)cc1S(=O)(=O)N1CCC(C)CC1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c12ccc(C)cc1S3(=O)=O.N13CCC(C)CC1.CO2 |
22679 | COc1ccc(C)cc1S(=O)(=O)N1C(C)CCCC1C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C] | c12ccc(C)cc1S3(=O)=O.N13C(C)CCCC1C.CO2 |
22681 | COc1ccc(CC(=O)Nc2cc(C)ccc2O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c16cc(C)ccc1O.C7C3=O.CO4.N36.O5C |
22682 | COc1ccc(C)cc1S(=O)(=O)n1nc(C)cc1C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | c12ccc(C)cc1S(=O)(=O)n1nc(C)cc1C.CO2 |
22683 | O=S(=O)(Nc1ccccn1)c1ccc(Cl)c(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S2(=O)c1ccc(Cl)c(Cl)c1.c13ccccn1.N23 |
22684 | O=S(=O)(Nc1cccnc1)c1ccc(Cl)c(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S2(=O)c1ccc(Cl)c(Cl)c1.c13cccnc1.N23 |
22685 | O=C(NCc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c18ccc6cc1.c19ccccn1.c17ccco1.O=C38.C47=O.N35.C59.N46 |
22686 | COc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C] | c16cc(Cl)c(O)c(Cl)c1.c14ccc7cc15.C37=O.CO4.N36.O5C |
22688 | COc1ccc(C(=O)Nc2ccc(O)cc2)cc1Cl | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S][Cl] | c14ccc6cc1Cl.c15ccc(O)cc1.C36=O.CO4.N35 |
22690 | Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1 | [C][C][=C][N][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=Branch2][N][=C][Ring1][N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n14.c14ccccc1 |
22691 | Cn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C | [C][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | Cn1c5nc2c1c(=O)[nH]c(=O)n2C.c14ccccc1Cl.S35.C34 |
22692 | Cn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C | [C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | Cn1c5nc2c1c(=O)[nH]c(=O)n2C.c14ccc(Cl)cc1.S35.C34 |
22693 | CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 | [C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c15nc2c(c(=O)[nH]c(=O)n2C)n13.c14ccc(C)cc1.CS5.C34 |
22694 | Cc1ccc(Cn2c(N(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][#Branch1] | n15c4nc2c1c(=O)n(C)c(=O)n2C.Cc1ccc6cc1.N4(C)C.C56 |
22695 | Cc1ccc(NC(=O)c2ccco2)c(NC(=O)C2CCCO2)c1 | [C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | Cc1ccc5c6c1.c18ccco1.C17CCCO1.C38=O.C47=O.N35.N46 |
22696 | CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 | [C][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.c16ccc(C)cc1.CC3.N34.C56 |
22698 | O=C(Nc1cccc(-c2nc3ccccc3o2)c1)C1CCCO1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C][C][C][C][C][O][Ring1][Branch1] | c17nc2ccccc2o1.c15cccc7c1.C16CCCO1.O=C46.N45 |
22699 | Cc1ccccc1OCC1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][=Branch2][Ring1][Ring1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][O][Ring1][#C] | C16Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1.Cc1ccccc15.O45.C46 |
22700 | O=C(Nc1ccccc1NC(=O)C1CCCO1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc15.C16CCCO1.c17ccco1.O=C27.C36=O.N24.N35 |
22701 | CCn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c4nc2c1c(=O)[nH]c(=O)n2C.c16ccccc1.N34C.CC5.C36 |
22703 | CC(C)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][C][N][C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c4nc2c1c(=O)[nH]c(=O)n2C.c16ccccc1.CC(C)C5.N34C.C36 |
22704 | CCC(C)n1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][C][Branch1][C][C][N][C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c4nc2c1c(=O)[nH]c(=O)n2C.c16ccccc1.CCC5C.N34C.C36 |
22705 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.N13CCCCC1.C4C3=O.N45C |
22706 | O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C] | c17ccc8cc1.c16ccccc1.N15CCOCC1.O=C34.C58=O.N36.N47 |
22707 | CC(C)OCC(O)Cn1c(N)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][N][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c(N)nc2c1c(=O)[nH]c(=O)n2C.C4C(O)C5.CC3C.O34 |
22708 | CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COC(C)C | [C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][Branch1][C][O][C][O][C][Branch1][C][C][C] | c15nc2c(c(=O)[nH]c(=O)n2C)n16.C6C(O)C3.C4(C)C.CN5.O34 |
22709 | CC(C)OCC(O)Cn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][O][C][C][Branch1][C][O][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n16c5nc2c1c(=O)[nH]c(=O)n2C.C4C(O)C6.CC3C.N5(C)C.O34 |
22710 | CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COC(C)C | [C][C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][Branch1][C][O][C][O][C][Branch1][C][C][C] | c16nc2c(c(=O)[nH]c(=O)n2C)n17.C7C(O)C3.C4(C)C.CC5.N56.O34 |
22711 | Cc1ccc(Cn2c(N)nc3c2c(=O)[nH]c(=O)n3C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][Branch1][C][N][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2] | n14c(N)nc2c1c(=O)[nH]c(=O)n2C.Cc1ccc5cc1.C45 |
22712 | CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c15nc2c(c(=O)[nH]c(=O)n2C)n16.c17ccc(C)cc1.N345.CC3.C4C.C67 |
22713 | Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1 | [C][C][=C][Branch1][C][C][N][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=Branch2][N][=C][Ring1][N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n14.c14ccccc1 |
22714 | Cn1c(=O)c2c(nc(N)n2Cc2ccccc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] | Cn1c(=O)c2c(nc(N)n23)n(C)c1=O.c14ccccc1.C34 |
22715 | CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 | [C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc2c(c(=O)n(C)c(=O)n2C)n14.c15ccccc1.CN3.C45 |
22716 | CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 | [C][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.c16ccccc1.CC3.N34.C56 |
22717 | CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc2c(c(=O)n(C)c(=O)n2C)n14.c15ccccc1.CN3C.C45 |
22718 | Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1ccccc16.c15ccccc17.c18ccco1.C26=O.C37=O.N25.N34.C48 |
22719 | CC(=O)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C] | c17ccc2nc8sc2c1.N15CCCC1.C6C5=O.CC4=O.N47.S68 |
22720 | Cn1c(SCc2ccccc2)nnc1-c1ccc(N)cc1 | [C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | Cn1c5nnc16.c16ccc(N)cc1.c14ccccc1.S35.C34 |
22722 | Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(N)cc1 | [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][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | Cn1c5nnc16.c16ccc(N)cc1.c14ccccc1.C3C4=O.S35 |
22723 | Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(N)cc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | Cn1c6nnc17.c17ccc(N)cc1.c15ccccc1.C4C3=O.S46.N35 |
22725 | CCC(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2 | [C][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][C][C][C][Ring1][O] | c14sc2c(c15)CCC(C)C2.CCC3=O.C5(N)=O.N34 |
22726 | COc1cc(OC)cc(-c2nc(-c3ccc(OC)c(OC)c3)no2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][O][Ring1][#C][=C][Ring2][Ring1][#Branch1] | c14cc5cc8c1.c19ccc6c7c1.c18nc9no1.CO4.O5C.O6C.O7C |
22727 | CCOC(=O)c1cc(Br)c(N)c(Br)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][N][C][Branch1][C][Br][=C][Ring1][=Branch2] | c14cc(Br)c(N)c(Br)c1.C24=O.CC3.O23 |
22728 | Cc1cccc(-c2nnc(SCC(=O)Nc3nccs3)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | Cc1cccc8c1.c18nnc7n1C.c16nccs1.C5C4=O.S57.N46 |
22729 | Cc1cnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 | [C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Ring1][S] | c15ccc(Cl)c(Cl)c1.Cc1cnc4s1.C35=O.N34 |
22730 | Cc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)o1 | [C][C][=N][N][=C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][O][Ring2][Ring1][=Branch1] | c15ccccc16.Cc1nnc7o1.N16CCOCC1.C4C3=O.S47.N35 |
22731 | NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N] | c16ccccc14.c17ccc(Cl)cc1.c15ccc7o1.NC6=O.C35=O.N34 |
22732 | CCc1nnc(NC(=O)C2CC3CCC2C3)s1 | [C][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][S][Ring1][#C] | C16CC2CCC1C2.c17nnc5s1.C46=O.CC7.N45 |
22733 | Cn1ncc(Cl)c1C(=O)Nc1c(Cl)cccc1Cl | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | c13c(Cl)cccc1Cl.Cn1ncc(Cl)c14.C24=O.N23 |
22734 | CCc1c(C)sc(NC(=O)c2cccs2)c1C#N | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C][C][#N] | c16c(C)sc4c1C#N.c15cccs1.C35=O.CC6.N34 |
22735 | CCSc1nnc(NC(=O)CCc2ccccc2)s1 | [C][C][S][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | c17nnc5s1.c16ccccc1.C3(=O)CC6.CC4.S47.N35 |
22736 | CS(=O)(=O)c1ccc2nc(NC(=O)C3CCCCC3)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][C][C][Ring1][=Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C] | CS(=O)(=O)c1ccc2nc5sc2c1.C16CCCCC1.C46=O.N45 |
22737 | Cn1ncc(Br)c1C(=O)c1ccccc1 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1ncc(Br)c12.c13ccccc1.C23=O |
22738 | CNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][C][C][C][Ring1][#C][=O] | c15cc2c(n6c1=O)CCCC2=O.c16ccccc1.C45=O.CN4 |
22739 | CN1C(=O)N(C)C2OC3OC4C(OC3OC21)N(C)C(=O)N4C | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][O][C][O][C][C][Branch1][O][O][C][Ring1][=Branch1][O][C][Ring1][#Branch2][Ring1][#C][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][O][C] | CN1C(=O)N(C)C2OC3OC4C(OC3OC21)N(C)C(=O)N4C |
22740 | CCC1Nc2ccccc2-c2nnc(SC)nc2O1 | [C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][O][Ring1][P] | C13Nc2ccccc2-c2nnc4nc2O1.CC3.S4C |
22741 | CC(=O)Nc1nc(C)nc(-c2ccccc2)c1C(C)=O | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][Branch1][C][C][=O] | c14nc(C)nc6c15.c16ccccc1.CC3=O.C5(C)=O.N34 |
22743 | CCOc1ccccc1C(=O)Nc1ccc(C(N)=O)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c14ccccc16.c15ccc7cc1.C26=O.C7(N)=O.CC3.O34.N25 |
22744 | CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O | [C][C][=Branch1][C][=O][N][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=N][O][C][Branch1][C][C][=O] | c18cc6c2nonc2c17.CC5=O.C3(C)=O.C4(C)=O.N58.O36.O47 |
22745 | CCOC(=O)c1c(NC(=O)c2cccnc2)sc(C)c1CC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][Branch1][C][C][=C][Ring1][#C][C][C] | c17c6sc(C)c19.c18cccnc1.C37=O.C48=O.CC5.O35.N46.C9C |
22747 | Cn1cc(Br)c(C(=O)NC2CCCCC2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][#C] | Cn1cc(Br)c5n1.C14CCCCC1.C35=O.N34 |
22748 | COC(=O)c1sc(NC(=O)c2cccc(C)c2)c(C(N)=O)c1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][C][C] | c16sc5c8c1C.c17cccc(C)c1.C36=O.C47=O.C8(N)=O.CO3.N45 |
22750 | Cn1cc(Br)c(C(=O)n2nnc3ccccc32)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][Ring1][P] | C4(=O)n1nnc2ccccc21.Cn1cc(Br)c4n1 |
22751 | O=C(Nc1nc2ccccc2[nH]1)C1CC1c1ccccc1 | [O][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2ccccc2[nH]1.c16ccccc1.C15CC16.O=C35.N34 |
22752 | CCn1c(SC(C)C)nc2sc3c(c2c1=O)CCC3 | [C][C][N][C][Branch1][#Branch1][S][C][Branch1][C][C][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=N][=O][C][C][C][Ring1][Branch2] | n15c6nc2sc3c(c2c1=O)CCC3.C4(C)C.CC5.S46 |
22754 | CC1(C)Cc2c(sc3nc(-c4ccccc4)n(N)c(=O)c23)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][N][S][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][N][C][=Branch1][C][=O][C][Ring1][P][=Ring1][=C][C][O][Ring2][Ring1][=Branch1] | CC1(C)Cc2c(sc3nc5n(N)c(=O)c23)CO1.c15ccccc1 |
22755 | CCOC(=O)c1sc(NC(=O)c2ccoc2C)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=N][C][=Ring1][=C][C] | c17sc6nc1C.c18ccoc1C.C37=O.C48=O.CC5.O35.N46 |
22757 | Cc1onc(COc2ccccc2O)c1Br | [C][C][O][N][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][=C][Br] | Cc1onc5c1Br.c14ccccc1O.C35.O34 |
22759 | CC1OC(Nc2ccc(Br)cc2)C(O)C(O)C1O | [C][C][O][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][S][O] | CC1OC4C(O)C(O)C1O.c13ccc(Br)cc1.N34 |
22760 | OCC1OC(Nc2ccc(O)cc2)C(O)C(O)C1O | [O][C][C][O][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][S][O] | C15OC4C(O)C(O)C1O.c13ccc(O)cc1.OC5.N34 |
22761 | CCc1c(C)sc(NC(=O)C2CCCO2)c1C#N | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=C][C][#N] | c16c(C)sc4c1C#N.C15CCCO1.C35=O.CC6.N34 |
22762 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCCO2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | c18ccc9c6c1.C17CCCO1.C38=O.C49=O.C57=O.CO3.O4C.N56 |
22763 | Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][O][Ring2][Ring1][Ring1] | N14CCN5CC1.Cc1ccc6o1.c15ccccc1.C46=O |
22764 | NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6n14.c16ccc(F)cc1.c14ccccc1.NC(=O)C3.S35 |
22765 | Cc1occc1C(=O)N1CCN(c2ccccc2)CC1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CCN4CC1.Cc1occc15.c14ccccc1.C35=O |
22766 | CCOC(=O)c1c(NC(=O)c2ccoc2C)sc(C)c1CC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][S][C][Branch1][C][C][=C][Ring1][#C][C][C] | c17c6sc(C)c19.c18ccoc1C.C37=O.C48=O.CC5.O35.N46.C9C |
22767 | CCOC(=O)c1c(NC(=O)CC)sc(C(N)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=N][C] | c17c5sc6c1C.C3(=O)CC.C27=O.C6(N)=O.CC4.O24.N35 |
22768 | CC(=O)c1cccc(NC(=O)C2CC2c2ccccc2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c16cccc4c1.c17ccccc1.C15CC17.CC6=O.C35=O.N34 |
22769 | CC(C)N(C(=O)c1ccccc1Br)C(C)C | [C][C][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Branch1][C][C][C] | c15ccccc1Br.CC3C.N234.C25=O.C4(C)C |
22770 | Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(N)=O)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2] | c15ccc(Cl)c6c1.Cc1ccccc14.C3C2=O.C6(N)=O.O34.N25 |
22771 | COc1ccccc1NS(=O)(=O)c1ccc(N)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(N)cc1.c12ccccc14.CO2.N34 |
22773 | Cc1cc(NC(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2)no1 | [C][C][=C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][#C][=N][O][Ring2][Ring1][#Branch1] | c18ccc9cc1.Cc1cc6no1.c17cc(C)on1.C48=O.C59=O.N46.N57 |
22774 | Cn1cc(Br)c(C(=O)Nc2cccc(Cl)c2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][S] | Cn1cc(Br)c5n1.c14cccc(Cl)c1.C35=O.N34 |
22775 | Cn1nccc1C(=O)Nc1cc(Cl)ccc1Cl | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c13cc(Cl)ccc1Cl.Cn1nccc14.C24=O.N23 |
22777 | COc1ccc(C(=O)NCc2ccccn2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.c18ccccn1.C37=O.CO4.N36.C68.O5C |
22778 | CCOc1ccc(NC(=O)c2nn(C)cc2Br)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][S] | c15ccc6cc1.c17nn(C)cc1Br.C37=O.CC4.O45.N36 |
22779 | Nc1cc(Oc2ccccc2)cc(Oc2cccnc2)c1 | [N][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Nc1cc3cc5c1.c14ccccc1.c16cccnc1.O34.O56 |
22781 | Cc1cccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring2] | C4(C)(C(F)(F)F)C(F)(F)F.Cc1cccc5n1.C23=O.N25.N34 |
22782 | Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)c3)nc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][=C][Ring1][S][=C][Ring2][Ring1][=Branch2] | Cc1cccc6c1.c19ccc8nc1.c17cccc(C)c1.C49=O.C58=O.N46.N57 |
22783 | COc1ccc(S(=O)(=O)Nc2ccncc2)cc1 | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c13ccc(S4(=O)=O)cc1.c15ccncc1.CO3.N45 |
22784 | COc1ccc(Cl)cc1NC(=O)c1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c14ccc(Cl)cc15.c17ccc6cc1.C27=O.C3(C)=O.CO4.N25.N36 |
22786 | CCS(=O)(=O)Nc1cccc(NS(=O)(=O)CC)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Ring1][N] | c14cccc5c1.CCS2(=O)=O.S3(=O)(=O)CC.N24.N35 |
22787 | Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)no1 | [C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][O][Ring1][P] | c16ccc(Cl)c(Cl)c1.Cc1cc5no1.C34=O.N35.N46 |
22788 | Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CC(N)=O | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][O][C][C][Branch1][C][N][=O] | Cn1c(=O)[nH]c(=O)c2c1nc3n24.N13CCOCC1.C4C(N)=O |
22789 | Cn1c(=O)[nH]c(=O)c2[nH]c(N3CCOCC3)nc21 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=Ring1][O][Ring1][P] | Cn1c(=O)[nH]c(=O)c2[nH]c4nc21.N14CCOCC1 |
22790 | CCCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O | [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][O][N][=C][N][Ring1][Branch1][C][C][S][Ring1][Branch1][N][Branch1][C][C][C][Ring1][=C][=O] | n14c(=O)c2c(nc3n2CCS3)n(C)c1=O.CCC4 |
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