ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
10936 | N#Cc1cn(C2CC2)c(=O)n(Cc2ccccc2)c1=O | [N][#C][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | N#Cc1cn5c(=O)n3c1=O.c14ccccc1.C15CC1.C34 |
10938 | Cc1nn(C)c2ncc(C(=O)NC3Cc4ccccc4C3)c(Cl)c12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | Cc1nn(C)c2ncc7c(Cl)c12.C16Cc2ccccc2C1.C57=O.N56 |
10939 | CC(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C34(C(F)(F)F)C(F)(F)F.c15ccccc1.CC2=O.N23.N45 |
10940 | CC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F | [C][C][=Branch1][C][=O][N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C34(C(F)(F)F)C(F)(F)F.c15ccc(C)cc1.CC2=O.N23.N45 |
10941 | CC(=O)Nc1c(-c2ccccc2)oc2ccccc2c1=O | [C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | c14c5oc2ccccc2c1=O.c15ccccc1.CC3=O.N34 |
10944 | CCOC(=O)c1cnc(NCc2ccccc2)s1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | c17cnc6s1.c18ccccc1.C37=O.CC4.O34.N56.C58 |
10947 | NC(=O)c1ccc(CC(=O)c2ccc(Cl)cc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c13ccc5cc1.c14ccc(Cl)cc1.C5C4=O.NC3=O |
10948 | NC(=O)c1cccc(CC(=O)c2ccc(Cl)cc2)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S] | c13cccc5c1.c14ccc(Cl)cc1.C5C4=O.NC3=O |
10949 | Cc1ccccc1C(=O)Cc1ccc(C(N)=O)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | Cc1ccccc12.c14ccc3cc1.C2(=O)C4.C3(N)=O |
10950 | Cn1nc(-c2ccc(CO)s2)cc1C(F)(F)F | [C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][O][S][Ring1][#Branch1][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F] | Cn1nc5cc14.c15ccc3s1.C4(F)(F)F.C3O |
10952 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CO | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][O] | Cc1nc5sc13.c15ccc4cc1.C4(F)(F)F.C3O |
10953 | O=C1CCCN1c1ccc(S(=O)(=O)CO)cc1 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][O][C][=C][Ring1][O] | c12ccc(S(=O)(=O)CO)cc1.O=C1CCCN12 |
10954 | O=C(Cc1ccccc1F)NCCc1c[nH]c2ccccc12 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16c[nH]c2ccccc12.c15ccccc1F.O=C3C5.C4C6.N34 |
10955 | CC(C)Oc1cccc(OCC(F)(F)F)c1C#N | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][#N] | c14cccc5c1C#N.C3C(F)(F)F.CC2C.O24.O35 |
10956 | COC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F | [C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C34(C(F)(F)F)C(F)(F)F.c15ccccc1.C25=O.CO3.N24 |
10957 | CC(=O)NC(Nc1ccccc1C)(C(F)(F)F)C(F)(F)F | [C][C][=Branch1][C][=O][N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C34(C(F)(F)F)C(F)(F)F.c15ccccc1C.CC2=O.N23.N45 |
10958 | COc1ccc(C(O)(c2ccccc2)C2CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][P] | c13ccc5cc1.c16ccccc1.C456O.C14CC1.CO3 |
10962 | Nn1c(=O)c(-c2ccccc2)nn2c(=O)c3ccccc3nc12 | [N][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch1][Ring1][O] | Nn1c(=O)c4nn2c(=O)c3ccccc3nc12.c14ccccc1 |
10965 | Cn1c(C(C#N)C(=O)c2ccncc2)nc2ccccc21 | [C][N][C][Branch2][Ring1][C][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | Cn1c4nc2ccccc21.C4(C#N)C3=O.c13ccncc1 |
10966 | CCOC(=O)CSc1nnnn1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnnn15.c15ccccc1.C2(=O)C4.CC3.O23.S46 |
10967 | O=c1[nH]c2ccccc2c(=O)n1CCSc1nc2ccccc2o1 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | O=c1[nH]c2ccccc2c(=O)n14.c15nc2ccccc2o1.C4C3.S35 |
10968 | NC(=O)CNC(=O)CSc1nc2ccccc2s1 | [N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c16nc2ccccc2s1.NC(=O)C4.C3(=O)C5.N34.S56 |
10969 | COC(=O)COc1cc(O)c2c(=O)c(-c3csc(C)n3)coc2c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring2][Ring1][C] | c16cc(O)c2c(=O)c7coc2c1.c17csc(C)n1.C4(=O)C5.CO4.O56 |
10970 | COc1ccc(CCNc2ccccc2N)cc1OC | [C][O][C][=C][C][=C][Branch1][=N][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][O][C] | c13ccc7cc14.c16ccccc1N.C7C5.CO3.N56.O4C |
10971 | Cn1c(=O)c2c(NCc3ccccc3)cc(=O)n(C)c2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c5cc(=O)n(C)c2n(C)c1=O.c16ccccc1.N45.C46 |
10972 | COc1cc(C(O)C(Cl)(Cl)Cl)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][C][Branch1][Ring1][O][C][=C][Ring1][=C][O][C] | c12cc5cc3c14.C5(O)C(Cl)(Cl)Cl.CO2.O3C.O4C |
10973 | CCOC(=O)c1c(Cl)c2ccccc2oc1=O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O] | c15c(Cl)c2ccccc2oc1=O.C35=O.CC4.O34 |
10974 | COc1ccc2nc3c(cc2c1)c(=O)n(C)c(=O)n3C | [C][O][C][=C][C][=C][N][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][N][C] | c14ccc2nc3c(cc2c1)c(=O)n(C)c(=O)n3C.CO4 |
10977 | O=C(NC1CCN(C(=O)C2CCC2)CC1)C1CCCCC1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1] | C15CCN4CC1.C16CCCCC1.C17CCC1.O=C36.C47=O.N35 |
10979 | O=C(c1ccco1)N1CCN(C(=O)C2CCCCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCN4CC1.C16CCCCC1.c15ccco1.O=C35.C46=O |
10980 | O=C(NC1CCN(C(=O)c2ccco2)CC1)C1CCC1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][C][C][C][Ring1][Ring2] | C15CCN4CC1.c16ccco1.C17CCC1.O=C37.C46=O.N35 |
10981 | O=C(c1cccs1)N1CCN(C(=O)C2CCCCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCN4CC1.C16CCCCC1.c15cccs1.O=C35.C46=O |
10982 | O=C(Cc1ccccc1)NC1CCN(C(=O)C2CCCCC2)CC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | C15CCN4CC1.c17ccccc1.C16CCCCC1.O=C3C7.C46=O.N35 |
10983 | Cc1ccc(C(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][Branch2] | Cc1ccc7cc1.N14CCC6CC1.c18ccccc1.C5(=O)C8.C47=O.N56 |
10984 | O=C(Cc1ccccc1)NC1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | C15CCN4CC1.c17ccccc1.c16ccco1.O=C3C7.C46=O.N35 |
10985 | O=C(Cc1ccccc1)NC1CCN(C(=O)Cc2ccccc2)CC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | C15CCN4CC1.c16ccccc1.c17ccccc1.O=C3C6.C4(=O)C7.N35 |
10986 | Cc1ccc(C(=O)N2CCN(c3cccc4[nH]ccc34)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c16cccc2[nH]ccc12.Cc1ccc7cc1.N15CCN6CC1.C57=O |
10987 | O=C(Cc1ccccc1)NC1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | C15CCN4CC1.c17ccccc1.c16cccs1.O=C3C7.C46=O.N35 |
10988 | O=C(c1c(F)cccc1F)N1CCN(c2cccc3[nH]ccc23)CC1 | [O][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] | c15cccc2[nH]ccc12.c16c(F)cccc1F.N14CCN5CC1.O=C46 |
10991 | COc1ccccc1NC(=O)c1ccc(OC)c(OC)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17ccc4c5c1.c13ccccc16.C27=O.CO3.N26.O4C.O5C |
10992 | COc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 | [C][O][C][=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][Ring2][Ring1][Ring1] | c18ccc5c6c1.c14cccc7c1.C38=O.CO4.N37.O5C.O6C |
10994 | COc1ccc(C(=O)NC2CCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc7cc15.C16CCCCC1.C37=O.CO4.N36.O5C |
10999 | COc1cc(C(=O)Nc2ccccn2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc8cc5c16.c17ccccn1.C38=O.CO4.N37.O5C.O6C |
11001 | CC(C)NC(=O)c1ccccc1-c1ccccc1C(=O)NC(C)C | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c16ccccc18.c18ccccc17.CC4C.C26=O.C37=O.C5(C)C.N24.N35 |
11002 | O=S(=O)(CS(=O)(=O)c1ccccc1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(CS(=O)(=O)c1ccccc1)c1ccccc1 |
11003 | COC(=O)COc1cc(OC)ccc1C(=O)OC | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C] | c15cc6ccc17.C2(=O)C4.C37=O.CO2.O45.O6C.O3C |
11004 | CCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C1=C(C)N(C)C(=O)N(C)C14.c14ccccc1.CC3.O23 |
11005 | CCN(C(=O)c1cnccc1C(F)(F)F)c1ccccc1 | [C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cnccc16.c14ccccc1.C6(F)(F)F.N234.C25=O.CC3 |
11006 | Cc1cc(Br)c(N)c(Br)c1 | [C][C][=C][C][Branch1][C][Br][=C][Branch1][C][N][C][Branch1][C][Br][=C][Ring1][=Branch2] | Cc1cc(Br)c(N)c(Br)c1 |
11008 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1 | [O][=C][Branch2][Ring1][C][O][C][N][N][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14ncc(Cl)c(Cl)c1=O.c13ccccc1.O=C23.O2C4 |
11009 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1cccs1 | [O][=C][Branch2][Ring1][C][O][C][N][N][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][Branch2][=O][C][=C][C][=C][S][Ring1][Branch1] | n14ncc(Cl)c(Cl)c1=O.c13cccs1.O=C23.O2C4 |
11010 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1c(F)cccc1F | [O][=C][Branch2][Ring1][C][O][C][N][N][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][Branch2][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | n14ncc(Cl)c(Cl)c1=O.c13c(F)cccc1F.O=C23.O2C4 |
11011 | Fc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][NH1][N][=C][C][=Ring1][Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Fc1ccc4cc1.c14[nH]ncc15.c15nnnn13.c13ccccc1 |
11012 | Fc1ccc(-c2oncc2-c2nnnn2-c2ccccc2)c(F)c1 | [F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][O][N][=C][C][=Ring1][Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1] | Fc1ccc4c(F)c1.c14oncc15.c15nnnn13.c13ccccc1 |
11013 | CSc1nnc(-c2cc(Cl)cc(Cl)c2)n1N | [C][S][C][=N][N][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][Ring1][=N][N] | c14cc(Cl)cc(Cl)c1.c13nnc4n1N.CS3 |
11017 | O=C1Cc2ccccc2C(c2ccc(Br)cc2)N1 | [O][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Ring1][P] | O=C1Cc2ccccc2C(c2ccc(Br)cc2)N1 |
11018 | O=C1Cc2ccccc2C(c2ccccc2Cl)N1 | [O][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][P] | O=C1Cc2ccccc2C(c2ccccc2Cl)N1 |
11019 | COc1cnn(Cc2ccccc2)c(=O)c1Cl | [C][O][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][Cl] | c13cnn4c(=O)c1Cl.c15ccccc1.CO3.C45 |
11020 | CCOC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)C1=O | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | C15CCN(S(=O)(=O)C6)C1=O.c16ccccc1.C35=O.CC4.O34 |
11022 | CN(C(F)(F)C(F)F)S(=O)(=O)c1ccccc1 | [C][N][Branch1][=N][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.C2(F)(F)C(F)F.CN23 |
11024 | Cc1ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c1 | [C][C][=C][C][=C][Branch1][C][N][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P] | C2(O)(C(F)(F)F)C(F)(F)F.Cc1ccc(N)c2c1 |
11025 | CCC(CO)NC(=O)c1cc(OC)c(OC)c(OC)c1 | [C][C][C][Branch1][Ring1][C][O][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.CCC6CO.C27=O.N26.O3C.O4C.O5C |
11026 | Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C] | Nc1ccc(S3(=O)=O)cc1.c14ccc(F)cc1F.N34 |
11027 | Fc1ccc(-c2oncc2-c2nnnn2-c2ccccc2)cc1F | [F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][O][N][=C][C][=Ring1][Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][F] | Fc1ccc4cc1F.c14oncc15.c15nnnn13.c13ccccc1 |
11029 | Cc1ccc(-c2oncc2-c2nnnn2-c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][O][N][=C][C][=Ring1][Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc4cc1.c14oncc15.c15nnnn13.c13ccccc1 |
11030 | O=C(Nc1ccc(-c2ccccc2)oc1=O)c1ccccc1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc6oc1=O.c16ccccc1.c15ccccc1.O=C35.N34 |
11031 | CSc1nn2c(-c3ccccn3)ccnc2c1C#N | [C][S][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=N][C][Ring1][N][=C][Ring1][#C][C][#N] | c14nn2c5ccnc2c1C#N.c15ccccn1.CS4 |
11032 | CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cccs1 | [C][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c13nn6cc15.c16ccccc1.c14cccs1.CC3=O.C45=O |
11033 | N#Cc1c(-c2ccccc2)c(C#N)c(=O)n(N)c1N | [N][#C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][C][N][C][=Ring1][S][N] | N#Cc1c3c(C#N)c(=O)n(N)c1N.c13ccccc1 |
11034 | COc1ccc(-c2c(C#N)c(N)n(N)c(=O)c2C#N)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][N][Branch1][C][N][C][=Branch1][C][=O][C][=Ring1][O][C][#N][C][=C][Ring2][Ring1][Ring1][O][C] | c15c(C#N)c(N)n(N)c(=O)c1C#N.c13ccc5cc14.CO3.O4C |
11035 | N#Cc1c(-c2cccs2)c(C#N)c(=O)n(N)c1N | [N][#C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][C][N][C][=Ring1][#C][N] | N#Cc1c3c(C#N)c(=O)n(N)c1N.c13cccs1 |
11036 | Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccc(F)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=N][N][=C][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc3cc1.c15cccc(F)c1.n13nnnc14.c14cn[nH]c15 |
11037 | O=c1oc(C(Cl)(Cl)Cl)nc2ccccc12 | [O][=C][O][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] | O=c1oc3nc2ccccc12.C3(Cl)(Cl)Cl |
11038 | CSc1nc(N)n(-c2cc(Cl)cc(Cl)c2)n1 | [C][S][C][N][=C][Branch1][C][N][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=Ring1][=C] | c13cc(Cl)cc(Cl)c1.c14nc(N)n3n1.CS4 |
11039 | Cc1ccc(-c2cncnc2NC(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.c16cncnc14.c15ccccc1.C35=O.N34 |
11040 | Nc1ncnc(SCc2c(Cl)cccc2Cl)n1 | [N][C][=N][C][=N][C][Branch1][#C][S][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c14c(Cl)cccc1Cl.Nc1ncnc5n1.S35.C34 |
11041 | Nc1ncnc(SCc2ccc(Cl)cc2)n1 | [N][C][=N][C][=N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][#C] | Nc1ncnc5n1.c14ccc(Cl)cc1.S35.C34 |
11042 | Nc1ncnc(SCc2c(F)cccc2Cl)n1 | [N][C][=N][C][=N][C][Branch1][#C][S][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c14c(F)cccc1Cl.Nc1ncnc5n1.S35.C34 |
11043 | CCOC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][=N] | c15cc(C)n6n1.c16ccc(Cl)cc1.C35=O.CC4.O34 |
11044 | CC1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2] | S3(=O)(=O)c1cccc4c1.CC1CN3CC(C)O1.C4(F)(F)F |
11045 | CCOC(=O)c1ccc(N2CCOCC2)c(N)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][=N] | c16ccc5c(N)c1.N15CCOCC1.C36=O.CC4.O34 |
11046 | CSc1cccc(NC2OC(=O)c3ccccc32)c1 | [C][S][C][=C][C][=C][C][Branch2][Ring1][C][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring1][P] | N4C1OC(=O)c2ccccc21.c15cccc4c1.CS5 |
11047 | Oc1c(Br)cc(-c2csnn2)cc1Br | [O][C][=C][Branch1][C][Br][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][N][Br] | Oc1c(Br)cc3cc1Br.c13csnn1 |
11048 | Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(C)n1 | [C][C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Branch1][C][C][N][=Ring1][P] | c15ccc(Cl)cc1Cl.Cc1cc4n(C)n1.C35=O.N34 |
11049 | Cc1nn(C)c(NC(=O)c2ccccc2)c1Br | [C][C][=N][N][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][Br] | Cc1nn(C)c4c1Br.c15ccccc1.C35=O.N34 |
11052 | N#CC1=NC2(CCCCC2)C2CCCCC2=NC1C#N | [N][#C][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][=N][C][Ring1][S][C][#N] | N#CC1=NC2(CCCCC2)C2CCCCC2=NC1C#N |
11053 | Cc1nn(C)c(NC(=O)c2ccccc2Cl)c1Br | [C][C][=N][N][Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][S][Br] | Cc1nn(C)c4c1Br.c15ccccc1Cl.C35=O.N34 |
11055 | Cc1nn(C)c(NC(=O)c2ccc(Cl)cc2)c1Cl | [C][C][=N][N][Branch1][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][Cl] | Cc1nn(C)c4c1Cl.c15ccc(Cl)cc1.C35=O.N34 |
11057 | O=S(=O)(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 |
11058 | O=S(=O)(CCS(=O)(=O)c1ccccn1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S(=O)(CCS(=O)(=O)c1ccccn1)c1ccc(Cl)cc1 |
11059 | Cc1cc(NC(=O)c2ccccc2Cl)n(C(C)(C)C)n1 | [C][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring2][Ring1][Ring1] | Cc1cc4n6n1.c15ccccc1Cl.C6(C)(C)C.C35=O.N34 |
11060 | Cc1cc(NC(=O)c2ccccc2F)n(C(C)(C)C)n1 | [C][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring2][Ring1][Ring1] | Cc1cc4n6n1.c15ccccc1F.C6(C)(C)C.C35=O.N34 |
11061 | Cc1cc(NC(=O)c2ccccc2)n(C(C)(C)C)n1 | [C][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring2][Ring1][C] | Cc1cc4n6n1.c15ccccc1.C6(C)(C)C.C35=O.N34 |
11062 | Cc1cc(NC(=O)c2ccc(Cl)cc2)n(C(C)(C)C)n1 | [C][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring2][Ring1][Ring1] | Cc1cc4n6n1.c15ccc(Cl)cc1.C6(C)(C)C.C35=O.N34 |
11065 | O=S(=O)(CCSc1ccccc1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(CC2)c1ccccc1.c13ccccc1.S23 |
11067 | Cc1ccc(S(=O)(=O)CCSc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc(S(=O)(=O)CC3)cc1.c14ccccc1.S34 |
11069 | NC(=O)c1nnc2cc(-c3ccccc3)nn2c1-c1ccccc1 | [N][C][=Branch1][C][=O][C][N][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nnc2cc5nn2c16.c15ccccc1.c16ccccc1.NC4=O |
11070 | COc1cccc(-c2c(C(N)=O)nnc3cc(-c4ccccc4)nn23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][C][Ring1][O][=C][Ring2][Ring1][Branch2] | c17c6nnc2cc8nn12.c15cccc7c1.c18ccccc1.C6(N)=O.CO5 |
11072 | CC(C)(C)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc6nn15.CC(C)(C)C3=O.c15ccccc1.C16CC1.N34 |
11073 | CC(=O)Nc1c(Br)c(C2CC2)nn1-c1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Br][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c(Br)c6nn15.c15ccccc1.CC3=O.C16CC1.N34 |
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