ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1931853 | CN1CCOC(C(=O)Nc2nc(CC(C)(C)C)cs2)C1 | [C][N][C][C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][#Branch2][C][Ring2][Ring1][Ring1] | CN1CCOC5C1.c14nc6cs1.C6C(C)(C)C.C35=O.N34 |
1931854 | CC(C)C(=O)Nc1ccc(CNC(=O)Cc2ccc(O)cc2)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c16ccc7cc1.c18ccc(O)cc1.CC(C)C3=O.C4(=O)C8.N36.C57.N45 |
1931855 | CC(c1ccc(F)c(F)c1)N(C)C(=O)Cc1ccc(O)cc1 | [C][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccc(F)c(F)c1.c15ccc(O)cc1.C2(=O)C5.CC34.N23C |
1931856 | O=C(Cc1ccc(O)cc1)NCc1ccc(OCC(F)(F)F)cc1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N] | c16ccc(O)cc1.c17ccc4cc1.C3C(F)(F)F.O=C2C6.N25.C57.O34 |
1931857 | CC(NC(=O)Cn1c(CO)nc2ccccc21)c1cccs1 | [C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][S][Ring1][Branch1] | n15c7nc2ccccc21.c16cccs1.C3(=O)C5.CC46.N34.C7O |
1931858 | COc1ccnc(NCc2ccc(OCC(F)(F)F)cc2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][=N][Ring2][Ring1][Ring2] | c14ccnc7n1.c18ccc5cc1.C3C(F)(F)F.CO4.N67.C68.O35 |
1931859 | N#Cc1cc(F)ccc1NC(=O)N1CCCCCC1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | N#Cc1cc(F)ccc14.N13CCCCCC1.C23=O.N24 |
1931861 | N#Cc1cc(F)ccc1NC(=O)NCCc1ccccc1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1cc(F)ccc15.c16ccccc1.C23=O.C4C6.N25.N34 |
1931862 | N#Cc1cc(F)ccc1NC(=O)NCC1CCCO1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | N#Cc1cc(F)ccc15.C16CCCO1.C23=O.N25.N34.C46 |
1931863 | COc1ccc(CCNC(=O)Nc2ccc(F)cc2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][C][=C][Ring2][Ring1][Branch1] | c17ccc(F)cc1C#N.c15ccc8cc1.C8C6.C34=O.CO5.N36.N47 |
1931864 | COc1ccc(CCNC(=O)Nc2ccc(F)cc2C#N)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][C][=C][Ring2][Ring1][Branch1][O][C] | c18ccc(F)cc1C#N.c15ccc9cc16.C9C7.C34=O.CO5.N37.N48.O6C |
1931865 | N#Cc1cc(F)ccc1NC(=O)NCCc1ccc(F)cc1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N#Cc1cc(F)ccc15.c16ccc(F)cc1.C23=O.C4C6.N25.N34 |
1931871 | N#Cc1cc(F)ccc1NC(=O)NCc1ccc2c(c1)OCCO2 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c17ccc2c(c1)OCCO2.N#Cc1cc(F)ccc16.C34=O.N36.N45.C57 |
1931872 | CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1C#N | [C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N] | c17ccc2c(c1)OCCO2.c16ccc(F)cc1C#N.CN35.C34=O.C57.N46 |
1931873 | COc1ccccc1CCNC(=O)Nc1ccc(F)cc1C#N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N] | c16ccc(F)cc1C#N.c14ccccc17.C7C5.C23=O.CO4.N25.N36 |
1931874 | N#Cc1cc(F)ccc1NC(=O)NC(c1ccccc1)c1ccccn1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | N#Cc1cc(F)ccc15.c17ccccc1.c16ccccn1.C23=O.C467.N25.N34 |
1931875 | N#Cc1cc(F)ccc1NC(=O)NCCc1ccccc1F | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | N#Cc1cc(F)ccc15.c16ccccc1F.C23=O.C4C6.N25.N34 |
1931877 | Cc1cccc(OCCNC(=O)Nc2ccc(F)cc2C#N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][=C][Ring2][Ring1][=Branch1] | c18ccc(F)cc1C#N.Cc1cccc6c1.C5C7.C34=O.O56.N37.N48 |
1931880 | Clc1ccc(Cc2nnc(NCc3cccnc3)o2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=N][N][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | Clc1ccc7cc1.c16nnc5o1.c18cccnc1.C67.N45.C48 |
1931881 | CCC(c1ccccc1)c1nnc(NCc2cccnc2)o1 | [C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][=N] | c16ccccc1.c15nnc4o1.c17cccnc1.CCC56.N34.C37 |
1931883 | Cc1nn(C)c2ncc(C(=O)Nc3ccnn3C3CCCCC3)cc12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] | Cc1nn(C)c2ncc6cc12.c15ccnn17.C17CCCCC1.C46=O.N45 |
1931884 | CNC(=O)Cc1ccc(NC2C3CCOC3C23CCC3)cc1 | [C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][C][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][Ring1][Ring2][C][=C][Ring1][P] | C16C2CCOC2C12CCC2.c17ccc5cc1.C4(=O)C7.CN4.N56 |
1931885 | CCC(C)N(Cc1ccccc1)C(=O)c1cnc2c(c1)c(C)nn2C | [C][C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C] | c16cnc2c(c1)c(C)nn2C.c17ccccc1.CCC4C.N345.C36=O.C57 |
1931886 | CN(C)S(=O)(=O)c1ccc(Cn2ccnc2-c2ccccc2)o1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P] | S3(=O)(=O)c1ccc5o1.n14ccnc16.c16ccccc1.CN3C.C45 |
1931887 | CN(C)c1nc(N)nc(Cn2ccnc2-c2cccs2)n1 | [C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][S][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][C] | c13nc5nc(N)n1.n14ccnc16.c16cccs1.CN3C.C45 |
1931888 | COC(=O)c1sccc1NC(=O)c1cnc2c(c1)c(C)nn2C | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C] | c17cnc2c(c1)c(C)nn2C.c16sccc15.C36=O.C47=O.CO3.N45 |
1931889 | COCCOc1cccc(NC2C3CCOC3C23CCC3)c1 | [C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][Ring1][Ring2][=C][Ring1][P] | C18C2CCOC2C12CCC2.c16cccc7c1.C4C5.CO4.O56.N78 |
1931890 | OCc1cccc(NCc2cn(-c3ccc(Cl)cc3)nn2)c1 | [O][C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][=C][Ring2][Ring1][Ring2] | c17cccc5c1.c18ccc(Cl)cc1.c16cn8nn1.OC7.N45.C46 |
1931891 | COC(=O)Nc1cccc(NC2C3CCOC3C23CCC3)c1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][Ring1][Ring2][=C][Ring1][P] | C18C2CCOC2C12CCC2.c16cccc7c1.C45=O.CO4.N56.N78 |
1931892 | CCC(C)Oc1cc(C(=O)Nc2cccn(C)c2=O)ccn1 | [C][C][C][Branch1][C][C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][C][=N][Ring1][P] | c16cccn(C)c1=O.c15cc7ccn1.CCC4C.C37=O.O45.N36 |
1931893 | O=C(Nc1cncnc1-n1cccn1)C1CCC(F)(F)CC1 | [O][=C][Branch1][P][N][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2] | C14CCC(F)(F)CC1.c13cncnc15.n15cccn1.O=C24.N23 |
1931895 | NC(=O)CCn1ccc(NC2Cc3ccccc3C2)n1 | [N][C][=Branch1][C][=O][C][C][N][C][=C][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][Ring1][#C] | C15Cc2ccccc2C1.n16ccc4n1.NC(=O)CC6.N45 |
1931897 | Cc1nn(CCO)c(NC(C)c2nccs2)c1C | [C][C][=N][N][Branch1][Ring2][C][C][O][C][Branch1][=N][N][C][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][S][C] | Cc1nn5c4c1C.c16nccs1.C5CO.C36C.N34 |
1931898 | COc1ccc(C(C)Nc2ccc(N3CCCC3=O)cn2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1][F] | c14ccc7cc1F.c16ccc8cn1.N18CCCC1=O.C57C.CO4.N56 |
1931899 | COc1cccc(C(C)Nc2ccc(N3CCCC3=O)cn2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][C][C][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=N][Ring1][N][=C][Ring2][Ring1][Branch1] | c14cccc7c1.c16ccc8cn1.N18CCCC1=O.C57C.CO4.N56 |
1931900 | CC(Nc1ccc(N2CCCC2=O)cn1)c1ccccc1 | [C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc6cn1.N16CCCC1=O.c15ccccc1.CC35.N34 |
1931901 | Cc1cncc(NC(C)c2ccc(N3CCOC3=O)cc2)c1 | [C][C][=C][N][=C][C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1] | Cc1cncc5c1.c16ccc7cc1.N17CCOC1=O.C46C.N45 |
1931902 | COc1cc(NC(C)=O)ccc1NC(C)c1ccco1 | [C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][N][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1] | c13cc5ccc16.c17ccco1.C2(C)=O.C47C.CO3.N25.N46 |
1931903 | COC(=O)CCCN(C)C(=O)c1cc2ccc(F)cc2nc1C | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C] | c16cc2ccc(F)cc2nc1C.C3(=O)CCC5.N45C.C46=O.CO3 |
1931904 | CC(Nc1cnn(CCN2CCOCC2)c1)c1nccs1 | [C][C][Branch2][Ring1][Branch1][N][C][C][=N][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][=N][C][=N][C][=C][S][Ring1][Branch1] | c15cnn6c1.N14CCOCC1.c17nccs1.CC37.C6C4.N35 |
1931905 | CC1CN(C(=O)Cn2cc(NC(C)c3cccnc3)cn2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=C][N][C][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring1][=C][C][C][Branch1][C][C][O][Ring2][Ring1][Branch2] | CC1CN4CC(C)O1.n17cc6cn1.c18cccnc1.C4(=O)C7.C58C.N56 |
1931906 | COc1ccc(OC)c(CC(=O)Nc2cnc3ccccc3c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | c17cnc2ccccc2c1.c15ccc6c8c1.C8C4=O.CO5.O6C.N47 |
1931907 | Cn1cnnc1-c1cncc(NC2CCCc3sccc32)c1 | [C][N][C][=N][N][=C][Ring1][Branch1][C][=C][N][=C][C][Branch1][#C][N][C][C][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][=C][Ring1][S] | N4C1CCCc2sccc21.c15cncc4c1.Cn1cnnc15 |
1931908 | CC(C)CC(C)Nc1cnn(CC(=O)N2CCOCC2)c1 | [C][C][Branch1][C][C][C][C][Branch1][C][C][N][C][C][=N][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][=C] | CC(C)CC4C.c15cnn6c1.N13CCOCC1.C6C3=O.N45 |
1931911 | O=C(Cc1ccc(O)cc1)Nc1ccccc1N1CCCCC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc(O)cc1.c13ccccc14.N14CCCCC1.O=C2C5.N23 |
1931912 | O=C(Cc1ccc(O)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14ccc2[nH]c(=O)[nH]c2c1.c15ccc(O)cc1.O=C3C5.N34 |
1931913 | Cc1cc(C)c(NC(=O)Cc2cccs2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][=N][Ring1][P] | Cc1cc(C)c4c(C)n1.c15cccs1.C3(=O)C5.N34 |
1931914 | CCOC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)cc(C)nc2C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][C] | c16c(C)cc(C)nc1C.c18c(C)[nH]c7c1C.C38=O.C47=O.CC5.O35.N46 |
1931915 | Cc1cc(C)c(NC(=O)COc2ccc3c(c2)CCC3)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)c7c(C)n1.c16ccc2c(c1)CCC2.C4(=O)C5.N47.O56 |
1931916 | Cc1cc(C)c(NC(=O)C2(C)Cc3ccccc3C(=O)O2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][N][C][Branch1][C][C][=N][Ring2][Ring1][#Branch1] | C16(C)Cc2ccccc2C(=O)O1.Cc1cc(C)c5c(C)n1.C46=O.N45 |
1931917 | Cc1cc(C)c(NC(=O)C2Cc3ccccc3C(=O)O2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][C][Branch1][C][C][=N][Ring2][Ring1][=Branch1] | C16Cc2ccccc2C(=O)O1.Cc1cc(C)c5c(C)n1.C46=O.N45 |
1931918 | Cc1cc(C)c(NC(=O)c2sc(-c3ccccn3)nc2C)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=Ring1][O][C][C][Branch1][C][C][=N][Ring2][Ring1][#Branch1] | Cc1cc(C)c5c(C)n1.c16sc7nc1C.c17ccccn1.C46=O.N45 |
1931919 | CSc1cc(C(=O)Nn2cnc3sc(C)c(C)c3c2=O)ccn1 | [C][S][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O][=C][C][=N][Ring2][Ring1][Branch1] | C4(=O)Nn1cnc2sc(C)c(C)c2c1=O.c15cc4ccn1.CS5 |
1931920 | CCOc1ccccc1CNC(=O)c1ccc2nccnc2c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c17ccc2nccnc2c1.c15ccccc18.C37=O.CC4.O45.C68.N36 |
1931923 | CCCCOc1cccc(NC(=O)c2c(C)nn3cccnc23)c1 | [C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c18c(C)nn2cccnc12.c16cccc7c1.CCCC5.C48=O.O56.N47 |
1931924 | Cc1cccc(OCC(C)NC(=O)c2c(C)nn3cccnc23)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | c18c(C)nn2cccnc12.Cc1cccc6c1.C5C7C.C48=O.O56.N47 |
1931925 | Cc1cccc(OCC(C)NC(=O)c2cccn2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1cccc5c1.c17cccn1C.C4C6C.C37=O.O45.N36 |
1931926 | NC(=O)c1csc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.c1%10csc8c1.NC%10=O.C48=O.C59=O.C19CC1.N46.N57 |
1931927 | NC(=O)c1csc(C(=O)NCc2csc(-c3ccccc3)n2)c1 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring2] | c17csc6c1.c18csc9n1.c19ccccc1.NC7=O.C46=O.N45.C58 |
1931929 | COc1ccccc1C1(CNC(=O)CNC(C)=O)CCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][C][C][C][Ring1][=C] | c14ccccc18.C178CCCC1.C2(=O)C6.C3(C)=O.CO4.C57.N25.N36 |
1931930 | COc1ccccc1C1(CNC(=O)CCNC(N)=O)CCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][N][=O][C][C][C][C][Ring1][#C] | c14ccccc18.C178CCCC1.C2(=O)CC6.C3(N)=O.CO4.C57.N25.N36 |
1931931 | COc1ccccc1C1(CNC(=O)c2ccc(=O)n(C)c2)CCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2][C][C][C][C][Ring1][P] | c16ccc(=O)n(C)c1.c14ccccc18.C178CCCC1.C36=O.CO4.C57.N35 |
1931932 | COCCOc1cccc(C(=O)Nc2cccc3c2C(=O)NC3)c1 | [C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c18cccc2c1C(=O)NC2.c17cccc9c1.C5C6.C49=O.CO5.O67.N48 |
1931933 | CC(=O)Nc1ccc(F)c(C(=O)Nc2cccc3c2C(=O)NC3)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c17cccc2c1C(=O)NC2.c16ccc(F)c8c1.CC4=O.C58=O.N46.N57 |
1931934 | CC(=O)Nc1cc(C(=O)Nc2cccc3c2C(=O)NC3)ccc1F | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][F] | c17cccc2c1C(=O)NC2.c16cc8ccc1F.CC4=O.C58=O.N46.N57 |
1931936 | Cc1noc(CCC(=O)Nc2cccc3ncccc23)n1 | [C][C][=N][O][C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c15cccc2ncccc12.Cc1noc6n1.C6CC4=O.N45 |
1931937 | O=C(Cc1ccc(O)cc1)Nc1ccccc1C(=O)N1CCCCC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c16ccc(O)cc1.c14ccccc15.N13CCCCC1.O=C2C6.C35=O.N24 |
1931939 | O=C(NCCO)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 | [O][=C][Branch1][Branch1][N][C][C][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] | C128CC3CC(CC(C3)C1)C2.C17CCCN15.O=C47.C6CO.C58=O.N46 |
1931940 | Cc1ccc(C)n1-c1sccc1C(=O)NCCO | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O] | Cc1ccc(C)n15.c15sccc14.C24=O.C3CO.N23 |
1931941 | Cc1nc2cc(F)ccc2cc1C(=O)NCC(N)=O | [C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O] | Cc1nc2cc(F)ccc2cc15.C4C(N)=O.C35=O.N34 |
1931942 | O=C(Cc1ccc(O)cc1)Nc1cccc(N2CCCC2=O)c1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N] | c15ccc(O)cc1.c14cccc6c1.N16CCCC1=O.O=C3C5.N34 |
1931944 | O=C(CN1CCCCC1=O)NCCC(=O)NC1CCCC1 | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | N16CCCCC1=O.C4CC3=O.C15CCCC1.O=C2C6.N24.N35 |
1931945 | CC(c1ccc(F)cc1)N(C)C(=O)Cc1ccc(O)cc1 | [C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.c15ccc(O)cc1.C2(=O)C5.CC34.N23C |
1931947 | Cn1ccnc1Sc1ccc(NC(=O)Cc2ccc(O)cc2)cc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c17ccc4cc1.c15ccc(O)cc1.Cn1ccnc16.C3(=O)C5.S67.N34 |
1931948 | CC1CN(C(C)(C)CNC(=O)Cc2ccc(O)cc2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | CC1CN4CC(C)O1.c16ccc(O)cc1.C4(C)(C)C5.C3(=O)C6.N35 |
1931949 | CCC(NC(=O)Cc1ccc(O)cc1)c1ccc(Cl)cc1 | [C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(O)cc1.c14ccc(Cl)cc1.CCC34.C2(=O)C5.N23 |
1931950 | COC(=O)CC(NC(=O)Cc1ccc(O)cc1)c1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16ccc(O)cc1.c15ccccc1Cl.C2(=O)CC45.C3(=O)C6.CO2.N34 |
1931951 | NC(=O)C(NC(=O)Cc1ccc(O)cc1)c1ccccc1 | [N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(O)cc1.c14ccccc1.NC(=O)C34.C2(=O)C5.N23 |
1931953 | O=C(Cc1ccc(O)cc1)NCc1ccccc1OC(F)F | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F] | c15ccc(O)cc1.c16ccccc13.O=C2C5.O3C(F)F.N24.C46 |
1931954 | Cc1noc2nc(C(C)C)cc(C(=O)NCC(=O)N3CCCC3)c12 | [C][C][=N][O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2] | Cc1noc2nc8cc7c12.N15CCCC1.C6C5=O.C8(C)C.C47=O.N46 |
1931955 | O=C(Cc1ccc(O)cc1)Nc1cnc2ccccc2c1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14cnc2ccccc2c1.c15ccc(O)cc1.O=C3C5.N34 |
1931956 | CC(C)C(CNC(=O)Cc1ccc(O)cc1)N1CCOCC1 | [C][C][Branch1][C][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(O)cc1.CC(C)C3C4.N13CCOCC1.C2(=O)C5.N24 |
1931957 | CN(C)c1cc(C(F)(F)F)nc(NCc2ccc(C(N)=O)cc2)n1 | [C][N][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][Branch1] | c14cc7nc5n1.c18ccc6cc1.C7(F)(F)F.CN4C.C6(N)=O.N35.C38 |
1931958 | COC(=O)c1ccc(F)c(NC(=O)c2ccnc3ccccc23)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c18ccnc2ccccc12.c17ccc(F)c6c1.C47=O.C58=O.CO4.N56 |
1931959 | Cc1cc(C(=O)OCCCc2cccnc2)sc1C | [C][C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][P][C] | Cc1cc5sc1C.c16cccnc1.C4CC6.C35=O.O34 |
1931961 | CC(C)CC(CNC(=O)Cc1ccc(O)cc1)N1CCOCC1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | CC(C)CC3C4.c15ccc(O)cc1.N13CCOCC1.C2(=O)C5.N24 |
1931962 | Cc1cc(C(=O)OCc2cccnc2)c(C)n1C(C)C | [C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][S][C][Branch1][C][C][C] | Cc1cc5c(C)n16.c17cccnc1.C35=O.C6(C)C.O34.C47 |
1931963 | Cc1ncsc1CCOC(=O)CC1CCCC1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1] | Cc1ncsc14.C15CCCC1.C2(=O)C5.C4C3.O23 |
1931964 | O=C(NCCO)C1(c2ccc(F)cc2)CCCC1 | [O][=C][Branch1][Branch1][N][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16ccc(F)cc1.C156CCCC1.O=C35.C4CO.N34 |
1931965 | CNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 | [C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][NH1][Ring1][N][C][C][Ring2][Ring1][Ring2] | N16CCN5CC1.c18ccc(C)cc1.c17cc8n[nH]1.C4(=O)C6.C57=O.CN4 |
1931966 | COCc1ccc(C(=O)NCCCn2c(C)nc3ccccc32)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][Ring2][Ring1][Branch1] | n18c(C)nc2ccccc21.c19ccc7o1.C6CC8.C47=O.CO5.C59.N46 |
1931967 | COCc1ccc(C(=O)N(C)Cc2cnn(C)c2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][Ring1][S] | c17ccc6o1.c18cnn(C)c1.C36=O.N35C.CO4.C47.C58 |
1931968 | CCCCC(=O)N(Cc1cccs1)CC1CCCO1 | [C][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | CCCCC2=O.c16cccs1.C15CCCO1.N234.C36.C45 |
1931969 | CC(C)CCC(=O)N(Cc1cccs1)CC1CCCO1 | [C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | CC(C)CCC2=O.c16cccs1.C15CCCO1.N234.C36.C45 |
1931970 | COCc1ccc(C(=O)N2CCCC2C(=O)N(C)C)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][O][Ring1][P] | c18ccc7o1.N13CCCC16.C37=O.C46=O.N4(C)C.CO5.C58 |
1931971 | O=C(COc1ccccc1O)NC(C1CC1)C1CC1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1] | c14ccccc1O.O=C2C3.C567.C16CC1.C17CC1.O34.N25 |
1931972 | COC(=O)CC(C)NC(=O)c1cc2ccc(F)cc2nc1C | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C] | c16cc2ccc(F)cc2nc1C.C3(=O)CC5C.C46=O.CO3.N45 |
1931973 | COCc1ccc(C(=O)N2CCCC(c3nnc4ccccn34)C2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][#C][O][Ring2][Ring1][=Branch1] | c19nnc2ccccn12.N15CCCC9C1.c18ccc7o1.C57=O.CO6.C68 |
1931975 | CCc1nc2n(n1)CCCC2NC(=O)c1cnoc1-c1ccccc1 | [C][C][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2n(n1)CCCC2N3.c14cnoc16.c16ccccc1.C34=O.CC5 |
1931976 | CC(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)on2)nc1C | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2][N][=C][Ring2][Ring1][Ring2][C] | c17ccc8nc1C.c16cc9on1.c19ccco1.CC7=O.C46=O.C58.N45 |
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