ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1829 | CC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1CO2 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][=N] | c14ccc2c(c1)C(=O)c1ccccc1CO2.CC3=O.O34 |
1833 | Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccc(F)cc1 | [C][C][NH1][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=Ring1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(O)cc1O.Cc1[nH]nc5c13.c14ccc(F)cc1.O34 |
1838 | COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc7cc15.c16ccccc18.C8(F)(F)F.C37=O.CO4.N36.O5C |
1839 | CCS(=O)(=O)c1ccsc1S(=O)(=O)CC | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C] | CCS(=O)(=O)c1ccsc1S(=O)(=O)CC |
1840 | CCS(=O)(=O)c1ccc(S(=O)(=O)CC)s1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][S][Ring1][#Branch2] | CCS(=O)(=O)c1ccc(S(=O)(=O)CC)s1 |
1841 | ClC(Cl)(Cl)c1nc(-c2cccnc2)no1 | [Cl][C][Branch1][C][Cl][Branch1][C][Cl][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O] | c13nc4no1.c14cccnc1.ClC3(Cl)Cl |
1842 | Brc1ccc(-c2nc(-c3cccnc3)no2)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P] | Brc1ccc4cc1.c14nc5no1.c15cccnc1 |
1843 | COc1ccc(-c2nc(-c3cccnc3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P] | c14ccc5cc1.c15nc6no1.c16cccnc1.CO4 |
1844 | CCOC(=O)C=C(C)Nc1nonc1N(C(C)=O)C1CCCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][O][N][=C][Ring1][Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C][C][C][C][Ring1][=Branch1] | c15nonc16.C17CCCCC1.C2(=O)C=8.C=8(C)N5.N367.C3(C)=O.CC4.O24 |
1846 | CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2C1c1ccc(C)cc1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] | C3(=O)C1=C(N)Oc2[nH]nc(C)c2C1c1ccc(C)cc1C.CC4.O34 |
1849 | CN(C)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | c15ccc7cc1.N14CCN6CC1.c16ccc(F)cc1.CN5C.C47=O |
1850 | Cc1ccccc1Cn1cnc2ccccc2c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n13cnc2ccccc2c1=O.Cc1ccccc14.C34 |
1851 | O=c1[nH]c2ccccc2c(=O)n1CCSc1ccccc1 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1[nH]c2ccccc2c(=O)n14.c15ccccc1.C4C3.S35 |
1852 | Cn1c(CC(=O)c2ccc(O)cc2O)nc2ccccc21 | [C][N][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | Cn1c4nc2ccccc21.c13ccc(O)cc1O.C4C3=O |
1853 | O=C(Cc1ccccc1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c13ccc2c(c1)OCCO2.c14ccccc1.O=C3C4 |
1854 | CCOC(=O)c1c(C)oc2c1cc(O)c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | c15c(C)oc2c1cc(O)c1ccccc12.C35=O.CC4.O34 |
1855 | Cc1cccc(NC(=O)C2COc3ccccc3O2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | C16COc2ccccc2O1.Cc1cccc5c1.C46=O.N45 |
1856 | CC(=O)Oc1ccccc1C(=O)Nc1ccc(C)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14ccccc16.c15ccc(C)cc1.CC2=O.C36=O.O24.N35 |
1857 | Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | N14C(=O)c2ccccc2S1(=O)=O.Cc1ccc5c(C)c1.C45 |
1858 | COC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][P] | c17ccc6cc1.c18ccc5cc1.C37=O.C48=O.CO3.N46.O5C |
1859 | N#Cc1c(SCC(N)=O)nc2c(c1-c1ccco1)CCCC2 | [N][#C][C][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=C][C][=Branch1][O][=C][Ring1][O][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][Ring1][N] | N#Cc1c4nc2c(c15)CCCC2.c15ccco1.C3C(N)=O.S34 |
1860 | Cc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1cccc(C)c15.c14ccc(Cl)cc1.C2(=O)C3.N25.O34 |
1861 | CN1c2ccccc2N(C)C1c1ccc2c(c1)OCO2 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | CN1c2ccccc2N(C)C13.c13ccc2c(c1)OCO2 |
1865 | CCOc1ccc(OCC(=O)c2ccc(O)cc2O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C] | c17ccc(O)cc1O.c15ccc6cc1.C4C7=O.CC3.O35.O46 |
1866 | Cc1c(OCC(N)=O)ccc2c3c(c(=O)oc12)CCCC3 | [C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Ring1][S][=Ring1][#Branch1][C][C][C][C][Ring1][#Branch2] | Cc1c5ccc2c3c(c(=O)oc12)CCCC3.C4C(N)=O.O45 |
1868 | CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 | [C][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][C][Branch1][C][C][=C][Ring1][#Branch1] | c16nc2c(c(=O)[nH]c(=O)n2C)n14.c15cccc(C)c1.CC3.S36.C45 |
1869 | CCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][N][S][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] | n14c6nc2c1c(=O)[nH]c(=O)n2C.c15ccccc1.C3C5.CC4.S36 |
1870 | CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 | [C][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] | c16nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccc(C)cc1.CC3.S36.C45 |
1872 | CC1=C(C(=O)OCC(C)C)C(c2cccc(F)c2)NC(=O)N1 | [C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15cccc(F)c1.C4C(C)C.O34 |
1873 | CCN(C(C)=O)c1ccc(Oc2nc(OC)cc(OC)n2)cc1 | [C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][=N][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2][C][=C][Ring1][P] | c14nc5cc6n1.c19ccc7cc1.N389.C3(C)=O.CC8.O47.O5C.O6C |
1874 | CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 | [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][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccccc1.C4CC5.CN3 |
1875 | Cc1cc(=O)n(C(C)(C)C)c(=O)n1Cc1ccccc1 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc(=O)n2c(=O)n13.c14ccccc1.C2(C)(C)C.C34 |
1876 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(CC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15ccc4cc1.CC3.O23.C4C |
1877 | CC1=C(C(=O)OCC(C)C)C(c2ccccc2)NC(=O)N1 | [C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | CC1=C(C3=O)C5NC(=O)N1.c15ccccc1.C4C(C)C.O34 |
1879 | Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.C16CCCCC1.C4CC3=O.N45.N36 |
1881 | O=C(CSc1cccc2cccnc12)Nc1ccccc1F | [O][=C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16cccc2cccnc12.c15ccccc1F.O=C3C4.S46.N35 |
1882 | Cn1c(C(C#N)C(=O)c2ccccc2)nc2ccccc21 | [C][N][C][Branch2][Ring1][C][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | Cn1c4nc2ccccc21.C4(C#N)C3=O.c13ccccc1 |
1884 | COc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2] | c16c(C)oc2cc(O)ccc2c1=O.c14ccc5cc1.CO4.O56 |
1885 | CCOC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | c16ccc2c(c1)oc(=O)c1ccccc12.C3(=O)C5.CC4.O34.O56 |
1887 | COc1cc2nc(-c3ccc(C)cc3)oc(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=Ring1][=C][C][=C][Ring2][Ring1][C][O][C] | c14cc2nc6oc(=O)c2cc15.c16ccc(C)cc1.CO4.O5C |
1888 | c1ccc(SCc2cccc(CSc3ccccn3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][C][=C][C][=C][C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][=C][N][=C][Ring2][Ring1][=Branch1] | c16cccc7n1.c1ccc8nc1.c19ccccn1.S48.C46.C57.S59 |
1890 | Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc21 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.Cc1onc5c14.c15ccccc1.C34=O |
1891 | O=C(Nc1ccc(F)c(Cl)c1)c1ccncc1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13ccc(F)c(Cl)c1.c14ccncc1.O=C24.N23 |
1892 | COc1ccc(NC(=O)c2ccncc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P] | c14ccc6c5c1.c17ccncc1.C37=O.CO4.N36.O5C |
1893 | COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16cc(C)cc(C)c1.C37=O.CO4.N36.O5C |
1896 | COc1ccc(C(=O)NC2CCCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.C16CCCCCC1.C37=O.CO4.N36.O5C |
1899 | COc1ccc(C(=O)Nc2cc(C)cc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][P] | c15cc(C)cc(C)n1.c14ccc6cc1.C36=O.CO4.N35 |
1901 | O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccc(F)c2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C] | c15cccc(F)c1.N13CCN4CC1.c16cccc(F)c1.O=C35.C46=O |
1902 | Cc1sc2c(c1C)C(=O)NC(C=Cc1ccc3c(c1)OCO3)N2 | [C][C][S][C][=C][Branch1][Branch1][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][Ring2] | Cc1sc2c(c1C)C(=O)NC(C=4)N2.C=4c1ccc2c(c1)OCO2 |
1903 | CC1=C(C(=O)Nc2ccccc2)Oc2ccccc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1] | CC1=C(C3=O)Oc2ccccc2N1.c14ccccc1.N34 |
1905 | COc1ccc(NC(=O)c2sc(SC)nc2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][Branch1][Ring1][S][C][=N][C][=Ring1][#Branch1][N][C][=C][Ring1][P] | c14ccc5cc1.c16sc7nc1N.C36=O.CO4.N35.S7C |
1918 | Nc1nonc1NC(=O)CSc1cccc2ccccc12 | [N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ccccc12.Nc1nonc15.C3(=O)C4.N35.S46 |
1919 | CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][N][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | C2(=O)C1=C(C)OC(N)=C(C3=O)C16.c16cccnc1.CC4.O24.O35.C5C |
1920 | CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)C1c1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | C2(=O)C1=C(N)OC(C)=C(C3=O)C15.c15cccnc1.CC4.O24.O3C |
1921 | Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1 | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][S] | Cc1ccc(S3(=O)=O)cc1.N13CCCCC1C |
1922 | COC(=O)c1cc(Br)cc(Br)c1O | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][O] | c13cc(Br)cc(Br)c1O.C23=O.CO2 |
1923 | Cn1c(=O)n(-c2ccccc2)c(=O)c2c3c(sc21)CCCC3 | [C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][S][C][=Ring1][Branch1][Ring1][P][C][C][C][C][Ring1][Branch2] | Cn1c(=O)n4c(=O)c2c3c(sc21)CCCC3.c14ccccc1 |
1924 | NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc4n16.c15ccccc1.c16ccccc1.NC(=O)C3.S37.C45 |
1926 | COc1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c17ccc8cc1.C4C3=O.C8(C)=O.CO5.O46.N37 |
1927 | COC(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c19ccc5c6c1.c18ccc7cc1.C38=O.C49=O.CO3.N47.O5C.O6C |
1931 | NC(=O)COc1cc(OCC(N)=O)c2c3c(c(=O)oc2c1)CCCC3 | [N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][S][C][C][C][C][Ring1][O] | c16cc7c2c3c(c(=O)oc2c1)CCCC3.NC(=O)C4.C5C(N)=O.O46.O57 |
1932 | Cc1ccc(OCC(=O)NCc2ccccc2)cc1C | [C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C] | Cc1ccc5cc1C.c17ccccc1.C4C3=O.O45.N36.C67 |
1933 | COc1cc(C(=O)N(C)c2ccccc2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14cc8cc5c16.c17ccccc1.C38=O.N37C.CO4.O5C.O6C |
1935 | Cc1ccc(CN2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][#Branch1] | N14CCCn2c1nc1c2c(=O)[nH]c(=O)n1C.Cc1ccc5cc1.C45 |
1936 | Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2Cc1ccccc1 | [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][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc3n24.N13CCOCC1.c15ccccc1.C45 |
1937 | CC1=C(C(=O)OCC(C)C)C(c2ccc3c(c2)OCO3)NC(=O)N1 | [C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1] | CC1=C(C4=O)C6NC(=O)N1.c16ccc2c(c1)OCO2.C5C(C)C.O45 |
1938 | Cc1ccc(Cn2c(SC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][Branch1][#Branch1][S][C][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][#Branch1] | n15c7nc2c1c(=O)[nH]c(=O)n2C.Cc1ccc6cc1.C4(C)C.C56.S47 |
1939 | CCCn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c6nc2c1c(=O)[nH]c(=O)n2C.c15ccc(C)cc1.CCC4.S36.C35 |
1940 | Cc1oc2ccc(OC(=O)C(C)C)cc2c1C(=O)OC(C)C | [C][C][O][C][=C][C][=C][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][C][=Ring1][#C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | Cc1oc2ccc6cc2c17.C3(=O)C(C)C.C47=O.C5(C)C.O36.O45 |
1941 | CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 | [C][N][Branch1][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][C][=C][C][=C][Ring1][=Branch1] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccccc1.C4CC5.CN3C |
1942 | CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 | [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][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2c(c(=O)[nH]c(=O)n2C)n15.c16ccccc1.C5CC6.CC3.N34 |
1943 | COc1ccc(C2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | C16NC(=O)NC(C)=C1C3=O.c15ccc6cc1.C4C(C)C.CO5.O34 |
1944 | COc1ccc(OC)c(C2NC(=O)NC(C)=C2C(=O)OC(C)C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1] | C17NC(=O)NC(C)=C1C3=O.c15ccc6c7c1.C4(C)C.CO5.O6C.O34 |
1945 | COc1ccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2][O][C] | C17NC(=O)NC(C)=C1C3=O.c15ccc7cc16.C4(C)C.CO5.O34.O6C |
1946 | CC(C)(C)OC(=O)N1CCCC1C(=O)NCc1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCCC17.c18ccccc1.CC5(C)C.C23=O.C47=O.O25.N46.C68 |
1947 | CC(C)=CCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][=C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c3nc2c1c(=O)[nH]c(=O)n2C.N13CCCCCC1.CC=4C.C=4C5 |
1950 | COC(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Ring2] | c18cc2ccccc2oc1=O.c17cccc6c1.C47=O.C58=O.CO4.N56 |
1952 | Cc1oc2cc(O)ccc2c(=O)c1-c1nc2ccccc2n1C | [C][C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | Cc1oc2cc(O)ccc2c(=O)c13.c13nc2ccccc2n1C |
1954 | Cc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 | [C][C][N][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1] | Cc1nc2nc4cc5n2n1.c14ccccc1.c15ccccc1 |
1956 | CC1Oc2ccccc2OC1(O)c1ccc2ccccc2n1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | CC1Oc2ccccc2OC13O.c13ccc2ccccc2n1 |
1957 | Cn1nc(C(=O)Nc2ccccc2)cc1C(=O)Nc1ccccc1 | [C][N][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1nc7cc18.c15ccccc1.c16ccccc1.C37=O.C48=O.N35.N46 |
1958 | COc1ccc2oc(-c3ccccc3)c(C(=O)N(C)C)c2c1 | [C][O][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2oc7c6c2c1.c17ccccc1.C46=O.N4(C)C.CO5 |
1960 | COC(=O)C1=C(C)NC(=O)NC1c1cc(OC)cc2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | C3(=O)C1=C(C)NC(=O)NC15.c15cc4cc2ccccc12.CO3.O4C |
1963 | COc1ccc(CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][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][Ring2][O][C] | c17ccc2c(c1)OCCO2.c15ccc8cc16.C8C4=O.CO5.N47.O6C |
1965 | COc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][O][C] | c19nc2ccccc2[nH]1.c15ccc8cc16.C48=O.C7C9.CO5.N47.O6C |
1966 | O=C1CC(c2nc(-c3ccccc3)cs2)C2(CCCCC2)O1 | [O][=C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][Branch1] | O=C1CC4C2(CCCCC2)O1.c14nc5cs1.c15ccccc1 |
1967 | Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2Cc1ccccc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc3n24.N13CCCCC1.c15ccccc1.C45 |
1968 | Cc1cccc(C)c1NCC(=O)Nc1c(C)cccc1C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | Cc1cccc(C)c14.c15c(C)cccc1C.C3C2=O.N34.N25 |
1969 | COc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC1CCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1] | C15NC(=O)NC(C)=C1C2=O.c14ccccc15.C13CCCC1.CO4.O23 |
1970 | CC(C)CCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c4nc2c1c(=O)[nH]c(=O)n2C.c16ccccc1.CC(C)CC5.N34.C36 |
1971 | CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCC(C)C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] | C16NC(=O)NC(C)=C1C2=O.c15ccccc16.C4C(C)C.CC3.O35.O24 |
1973 | O=C(NC(Nc1ccccc1F)C(=O)c1ccccc1)c1ccco1 | [O][=C][Branch2][Ring1][O][N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc1F.c17ccccc1.C34C7=O.c16ccco1.O=C26.N23.N45 |
1974 | COc1ccc(Oc2coc3c(C)c(OC(C)=O)ccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][O][C][=C][Branch1][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][O][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1] | c17coc2c(C)c8ccc2c1=O.c15ccc6cc1.C4(C)=O.CO5.O67.O48 |
1975 | CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(N)=O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2][Ring1][O] | c17c8oc2ccc6cc12.c18ccccc1.C5C(N)=O.C37=O.CC4.O34.O56 |
1976 | CCc1cccc(CC)c1NC(=O)Cn1c(=O)sc2ccccc21 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(=O)sc2ccccc21.c16cccc7c14.C3(=O)C5.CC6.C7C.N34 |
1977 | CCc1cccc(C)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][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.c18cccc(C)c16.C27=O.CC8.N26.O3C.O4C.O5C |
1978 | COc1cc(C(=O)Nc2ccccc2C(C)C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc8cc5c16.c17ccccc19.C38=O.C9(C)C.CO4.N37.O5C.O6C |
1979 | O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | n14cnc2ccccc2c1=O.c13ccc2ccccc2c1.O=C3C4 |
1981 | Cc1cc(=O)n(C(NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1 | [C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch2] | Cc1cc(=O)n7cn1.c15ccccc1.c16ccccc1.C47C6=O.C35=O.N34 |
1985 | CC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | c17cccc6c1.c15ccc(Br)cc1.C3(=O)C4.CC7=O.N36.O45 |
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