ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
39801 | COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][Cl] | c13ccc(S4(=O)=O)cc1Cl.N14CCC5CC1.C5(N)=O.CO3 |
39802 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c13ccc(S4(=O)=O)cc1Cl.N14CCOCC1.CO3 |
39803 | CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C] | S3(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.CN3 |
39804 | Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][Ring2][Ring1][=Branch1] | Cn1c(=O)n(C)c2cc(S5(=O)=O)ccc21.c16ccccc1.N45.C46 |
39805 | Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccco3)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][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][Ring2][Ring1][Branch1] | Cn1c(=O)n(C)c2cc(S5(=O)=O)ccc21.c16ccco1.N45.C46 |
39806 | Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCCCC3)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Branch1] | Cn1c(=O)n(C)c2cc(S4(=O)=O)ccc21.C15CCCCC1.N45 |
39807 | Cc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C] | S4(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cc1cccc5c1C.N45 |
39808 | Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | S4(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cc1cc(C)c5c(C)c1.N45 |
39811 | Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3O)ccc21 | [C][N][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][C][=C][Ring1][P][Ring2][Ring1][Branch1] | Cn1c(=O)oc2cc(S4(=O)=O)ccc21.c15ccccc1O.N45 |
39812 | CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C] | S3(=O)(=O)c1ccc2c(c1)oc(=O)n2C.c14ccccc1.CN34 |
39813 | CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C] | S3(=O)(=O)c1ccc2c(c1)oc(=O)n2C.CN3C |
39814 | Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)ccc21 | [C][N][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1] | Cn1c(=O)oc2cc(S5(=O)=O)ccc21.c16ccccc1.C4C6.N45 |
39815 | Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccco3)ccc21 | [C][N][C][=Branch1][C][=O][O][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][Ring2][Ring1][Ring2] | Cn1c(=O)oc2cc(S5(=O)=O)ccc21.c16ccco1.N45.C46 |
39816 | CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 | [C][C][C][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][Ring2][Ring1][Ring2] | S4(=O)(=O)c1ccc2c(c1)oc(=O)n2C.CC1CCN4CC1 |
39817 | Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCCC3)ccc21 | [C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2] | Cn1c(=O)oc2cc(S4(=O)=O)ccc21.C15CCCCC1.N45 |
39818 | Cc1cc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | S4(=O)(=O)c1ccc2[nH]c(=O)oc2c1.Cc1cc(C)c5c(C)c1.N45 |
39819 | CN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2] | S3(=O)(=O)c1ccc2[nH]c(=O)oc2c1.c14ccccc1.CN34 |
39821 | O=C(Nc1cccc(O)c1)c1ccc(NC(=O)c2ccco2)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c15cccc(O)c1.c18ccc6cc1.c17ccco1.O=C38.C47=O.N35.N46 |
39822 | CCC(CC)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | CCC(CC)C3=O.c15ccc6cc1.c17ccco1.C47=O.N35.N46 |
39824 | O=C(NCC1CCCO1)c1cc(-c2ccccc2)on1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c15cc7on1.c17ccccc1.C16CCCO1.O=C35.N34.C46 |
39825 | CC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][C][C][Ring2][Ring1][Ring1] | CC1CCN4CC1.c15cc6on1.c16ccccc1.C45=O |
39826 | CC1CCCCN1C(=O)c1cc(-c2ccccc2)on1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | CC1CCCCN13.c14cc5on1.c15ccccc1.C34=O |
39827 | O=C(NC1CCCC1)c1cc(-c2ccccc2)on1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c15cc6on1.c16ccccc1.C14CCCC1.O=C35.N34 |
39829 | O=C(c1cc(-c2ccccc2)on1)N1CCOCC1 | [O][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c14cc5on1.c15ccccc1.N13CCOCC1.O=C34 |
39831 | NC(=O)C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][C][C][Ring2][Ring1][Ring1] | C16CCN4CC1.c15cc7on1.c17ccccc1.NC6=O.C45=O |
39832 | CC(C)(CO)NC(=O)c1cc(-c2ccccc2)on1 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c15cc6on1.c16ccccc1.CC4(C)CO.C35=O.N34 |
39833 | CC(C)n1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][C][=N][Ring2][Ring1][Ring1] | n17cc5cn1.c16cc8on1.c18ccccc1.CC7C.C46=O.N45 |
39834 | Cc1ccc(-c2cc(C(=O)Nc3cccnc3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.c17cc6no1.c15cccnc1.C46=O.N45 |
39835 | Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.c17cc6no1.c15cc(C)on1.C46=O.N45 |
39836 | Cc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc8cc1.c18cc6no1.c17cccnc1.C46=O.N45.C57 |
39837 | Cc1ccc(-c2cc(C(=O)NCc3ccco3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc8cc1.c18cc6no1.c17ccco1.C46=O.N45.C57 |
39838 | Cc1ccc(-c2cc(C(=O)NCC3CCCO3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc8cc1.c18cc6no1.C17CCCO1.C46=O.N45.C57 |
39840 | Cc1ccc(-c2cc(C(=O)N3CCOCC3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c16cc5no1.N14CCOCC1.C45=O |
39842 | COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)on1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][N][=Ring1][N] | c17ccc(C)cc1.c16cc7on1.C4C5C.C36=O.CO4.N35 |
39843 | CCN(CC)C(=O)c1cc(-c2ccc(C)cc2)on1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][N][=Ring1][N] | c17ccc(C)cc1.c16cc7on1.N345.C36=O.CC4.C5C |
39845 | Cc1ccc(-c2cc(C(=O)Nc3c(C#N)cnn3C)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=N][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15c(C#N)cnn1C.Cc1ccc7cc1.c17cc6no1.C46=O.N45 |
39846 | Cc1ccc(-c2cc(C(=O)NC(C)(C)CO)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][O][=N][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c16cc5no1.C4(C)(C)CO.C35=O.N34 |
39847 | Cc1ccc(-c2cc(C(=O)Nc3cnn(C(C)C)c3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][=N][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.c18cc6no1.c15cnn7c1.C46=O.C7(C)C.N45 |
39848 | O=C(NCc1cccnc1)c1cc(-c2ccc(Cl)cc2Cl)on1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][N][=Ring1][=N] | c17ccc(Cl)cc1Cl.c16cccnc1.c15cc7on1.O=C35.N34.C46 |
39849 | O=C(NCC1CCCO1)c1cc(-c2ccc(Cl)cc2Cl)on1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][N][=Ring1][=N] | c17ccc(Cl)cc1Cl.c15cc7on1.C16CCCO1.O=C35.N34.C46 |
39850 | O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][N][=Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(Cl)cc1Cl.c14cc5on1.N13CCOCC1.O=C34 |
39851 | COCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][N][=Ring1][=N] | c17ccc(Cl)cc1Cl.c16cc7on1.C4C5C.C36=O.CO4.N35 |
39852 | O=C(NCc1ccccn1)c1cc(-c2ccc(Cl)cc2Cl)on1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][N][=Ring1][=N] | c17ccc(Cl)cc1Cl.c16ccccn1.c15cc7on1.O=C35.N34.C46 |
39853 | CC(C)(CO)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][N][=Ring1][=N] | c16ccc(Cl)cc1Cl.c15cc6on1.CC4(C)CO.C35=O.N34 |
39854 | O=C(Nc1cccnc1)c1cc(-c2ccccc2Cl)on1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][N][=Ring1][N] | c16ccccc1Cl.c14cccnc1.c15cc6on1.O=C35.N34 |
39855 | O=C(NCc1cccnc1)c1cc(-c2ccccc2Cl)on1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][N][=Ring1][N] | c17ccccc1Cl.c16cccnc1.c15cc7on1.O=C35.N34.C46 |
39856 | O=C(NCc1ccco1)c1cc(-c2ccccc2Cl)on1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][N][=Ring1][N] | c17ccccc1Cl.c15cc7on1.c16ccco1.O=C35.N34.C46 |
39857 | O=C(c1cc(-c2ccccc2Cl)on1)N1CCCC1 | [O][=C][Branch2][Ring1][Ring1][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][N][=Ring1][N][N][C][C][C][C][Ring1][Branch1] | c15ccccc1Cl.c14cc5on1.N13CCCC1.O=C34 |
39858 | COCC(C)NC(=O)c1cc(-c2ccccc2Cl)on1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][N][=Ring1][N] | c17ccccc1Cl.c16cc7on1.C4C5C.C36=O.CO4.N35 |
39859 | O=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)on1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][N][=Ring1][N] | c17ccccc1Cl.c16ccccn1.c15cc7on1.O=C35.N34.C46 |
39860 | NC(=O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][N][=Ring1][N][C][C][Ring2][Ring1][Ring2] | C16CCN4CC1.c17ccccc1Cl.c15cc7on1.NC6=O.C45=O |
39861 | Cn1ncc(C#N)c1NC(=O)c1cc(-c2ccccc2Cl)on1 | [C][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][N][=Ring1][N] | Cn1ncc(C#N)c14.c16ccccc1Cl.c15cc6on1.C35=O.N34 |
39862 | Cc1cc(C(F)F)n2nc(C(=O)Nc3cccc(Cl)c3)nc2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring1][#C][N][=Ring2][Ring1][=Branch1] | Cc1cc7n2nc6nc2n1.c15cccc(Cl)c1.C7(F)F.C46=O.N45 |
39863 | CCc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Ring1][#Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16nc2nc(C)cc7n2n1.c18ccc5cc1.C46=O.C7(F)F.CC8.N45 |
39864 | Cc1cc(C(F)F)n2nc(C(=O)Nc3cccc(C)c3C)nc2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][=C][Ring1][S][N][=Ring2][Ring1][#Branch1] | Cc1cc7n2nc6nc2n1.c15cccc(C)c1C.C7(F)F.C46=O.N45 |
39865 | Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(F)c(F)c3)nc2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][=C][Ring1][S][N][=Ring2][Ring1][#Branch1] | Cc1cc7n2nc6nc2n1.c15ccc(F)c(F)c1.C7(F)F.C46=O.N45 |
39866 | Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(F)cc3C)nc2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][=C][Ring1][S][N][=Ring2][Ring1][#Branch1] | Cc1cc7n2nc6nc2n1.c15ccc(F)cc1C.C7(F)F.C46=O.N45 |
39867 | Cc1ccc(F)c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1 | [C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Ring1][#Branch2][N][=Ring1][=N][=C][Ring2][Ring1][#Branch1] | c16nc2nc(C)cc7n2n1.Cc1ccc(F)c5c1.C46=O.C7(F)F.N45 |
39868 | Cc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3Cl)nc2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Ring1][#C][N][=Ring2][Ring1][=Branch1] | Cc1cc7n2nc6nc2n1.c15ccccc1Cl.C7(F)F.C46=O.N45 |
39870 | Cc1cc(C(F)F)n2ncc(C(=O)N3CCCCC3)c2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][N][=Ring2][Ring1][Ring2] | Cc1cc6n2ncc5c2n1.N14CCCCC1.C6(F)F.C45=O |
39871 | COc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Branch1][C][C][=N][C][=Ring1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] | c17cnn2c8cc(C)nc12.c15ccc9cc1.C47=O.C8(F)F.CO5.C69.N46 |
39872 | COc1cccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Ring1][#Branch2][N][=Ring1][=N][=C][Ring2][Ring1][=Branch1] | c17nc2nc(C)cc8n2n1.c15cccc6c1.C47=O.C8(F)F.CO5.N46 |
39873 | Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC4CC4)c3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][O][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c19cc8n2ncc7c2n1.Cc1ccc9cc1.C8(F)F.C57=O.C16CC1.N56 |
39874 | O=C(CSc1nncc2ccccc12)Nc1ccccc1 | [O][=C][Branch1][P][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nncc2ccccc12.c15ccccc1.O=C3C4.S46.N35 |
39875 | COCC(=O)Nc1nnc(CCc2ccccc2)s1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | c15nnc6s1.c17ccccc1.C4C3=O.C6C7.CO4.N35 |
39876 | CCSc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 | [C][C][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.c17ccccc16.C36=O.CC4.S47.N35 |
39877 | CCOC(=O)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][P] | c17c(F)cccc1Cl.C16CCN4CC1.C4(=O)C7.C36=O.CC5.O35 |
39878 | O=C(Cc1c(F)cccc1Cl)NCc1ccc2c(c1)OCO2 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15c(F)cccc1Cl.O=C3C5.N34.C46 |
39879 | Cc1csc(NC(=O)Cc2c(F)cccc2Cl)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][P] | c15c(F)cccc1Cl.Cc1csc4n1.C3(=O)C5.N34 |
39880 | CC(C)c1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring1][P] | c16c(F)cccc1Cl.c15nnc4s1.C3(=O)C6.CC5C.N34 |
39881 | Cc1ccc(N2CC(C(=O)NCc3ccccn3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.N18CC6CC1=O.c17ccccn1.C46=O.N45.C57 |
39883 | COC(=O)CNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N] | C16CC(=O)N7C1.c17ccc(C)cc1.C3(=O)C5.C46=O.CO3.N45 |
39884 | Cc1ccc(N2CC(C(=O)Nc3nnc(C)s3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.N17CC6CC1=O.c15nnc(C)s1.C46=O.N45 |
39885 | Cc1ccc(N2CC(C(=O)Nc3nncs3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.N17CC6CC1=O.c15nncs1.C46=O.N45 |
39886 | COCC(C)NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N] | C16CC(=O)N7C1.c17ccc(C)cc1.C4C5C.C36=O.CO4.N35 |
39887 | Cc1ccc(N2CC(C(=O)Nc3cc(C)on3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.N17CC6CC1=O.c15cc(C)on1.C46=O.N45 |
39888 | COCc1nnc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)s1 | [C][O][C][C][=N][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N][S][Ring2][Ring1][Branch1] | C17CC(=O)N9C1.c19ccc(C)cc1.c18nnc6s1.C47=O.CO5.C58.N46 |
39889 | CCc1nnc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N][S][Ring2][Ring1][Branch1] | C16CC(=O)N8C1.c18ccc(C)cc1.c17nnc5s1.C46=O.CC7.N45 |
39890 | CCCc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring1][P] | c16c(F)cccc1Cl.c15nnc4s1.C3(=O)C6.CCC5.N34 |
39891 | COc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c13ccc(S4(=O)=O)cc1.c15nccc(C)n1.CO3.N45 |
39892 | CCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 | [C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCN4CC1.CCC6C3=O.c16ccccc1.c15ccco1.C45=O |
39893 | Cc1ccnc(NC(=O)COc2ccc(Cl)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1ccnc6n1.c15ccc(Cl)cc1.C3(=O)C4.N36.O45 |
39895 | CCCc1nnc(NC(=O)Cc2ccc(F)cc2)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][S] | c16ccc(F)cc1.c15nnc4s1.C3(=O)C6.CCC5.N34 |
39896 | CCCc1nnc(NC(=O)CC(C)c2ccccc2)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] | c15nnc4s1.C3(=O)CC6C.c16ccccc1.CCC5.N34 |
39897 | Cc1ccnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][Ring2] | c15ccc(Cl)cc1Cl.Cc1ccnc6n1.C3(=O)C4C.N36.O45 |
39900 | Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cn1c6nnc17.c17ccncc1.c15nccs1.C4C3=O.S46.N35 |
39901 | Cc1ccc(NC(=O)C(C)Sc2nnnn2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16nnnn1C.C3(=O)C4C.N35.S46 |
39902 | N#Cc1ccccc1CSc1nc(N)cc(N)n1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2] | N#Cc1ccccc13.c14nc(N)cc(N)n1.C23.S24 |
39904 | CC(C)(C)OC(=O)N1CCC(n2nccc2N)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][N][=C][C][=C][Ring1][Branch1][N][C][C][Ring1][N] | N14CCC6CC1.n16nccc1N.CC5(C)C.C34=O.O35 |
39905 | COc1cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][O][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c15cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1.CO5 |
39907 | O=C1CC(c2cccc(Cl)c2)c2cc3c(cc2N1)OCCO3 | [O][=C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][P][O][C][C][O][Ring1][=Branch2] | O=C1CC(c2cccc(Cl)c2)c2cc3c(cc2N1)OCCO3 |
39908 | O=C1CC(c2ccc(Cl)cc2)c2cc3c(cc2N1)OCCO3 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][P][O][C][C][O][Ring1][=Branch2] | O=C1CC(c2ccc(Cl)cc2)c2cc3c(cc2N1)OCCO3 |
39909 | CCc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c15ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1.CC5 |
39911 | COc1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c14ccc(C2CC(=O)Nc3cc5c6cc32)cc1.CO4.O5C.O6C |
39912 | CCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][O][Ring1][Branch2] | c15ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3.CC4.O45 |
39914 | COc1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc(C2CC(=O)Nc3cc5c6cc32)cc17.CO4.O5C.O6C.O7C |
39915 | O=C(OCc1ccc(Br)cc1)c1ccncc1 | [O][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccc(Br)cc1.c14ccncc1.O=C24.O23.C35 |
39916 | CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | CC(C)(C)C(=O)C4.c17ccccc15.c16ccco1.C27=O.C36=O.O24.N35 |
39917 | CC(C)(C)C(=O)COC(=O)C1CC(=O)N(c2ccccc2)C1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | CC(C)(C)C(=O)C4.C15CC(=O)N6C1.c16ccccc1.C35=O.O34 |
39918 | Cc1ccc(N2CC(C(=O)OCC(=O)C(C)(C)C)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.N16CC5CC1=O.C4C(=O)C(C)(C)C.C35=O.O34 |
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