ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1932899 | Cc1cc(CNC(=O)N2CCNC(=O)C2C)ccc1Cl | [C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc6ccc1Cl.N14CCNC(=O)C1C.C34=O.C56.N35 |
1932900 | Cc1cc(CNC(=O)N2CCNC(=O)CC2)ccc1Cl | [C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc6ccc1Cl.N14CCNC(=O)CC1.C34=O.C56.N35 |
1932901 | Cn1c(Cn2ccc(-c3ccccc3)n2)nnc1C1CC1 | [C][N][C][Branch2][Ring1][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | Cn1c5nnc16.n14ccc7n1.c17ccccc1.C16CC1.C45 |
1932902 | Cn1c(COc2ccc(Oc3nccs3)cc2)nnc1C1CC1 | [C][N][C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][O][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][N][=N][N][=C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | Cn1c8nnc19.c16ccc7cc1.c15nccs1.C19CC1.C48.O46.O57 |
1932903 | Cn1c(Cn2ncc(Br)c2C2CC2)nnc1C1CC1 | [C][N][C][Branch1][P][C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=N][N][=C][Ring1][#C][C][C][C][Ring1][Ring1] | Cn1c4nnc16.n13ncc(Br)c15.C15CC1.C16CC1.C34 |
1932905 | CC(=O)c1ccc(N(C)C)cc1OCc1noc(C(C)C)n1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][O][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2] | c15ccc4cc13.c16noc7n1.CC5=O.N4(C)C.C7(C)C.O23.C26 |
1932906 | Cc1ccn(Cc2nc(-c3ccsc3)no2)c(=O)c1C#N | [C][C][C][=C][N][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][O][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][#N] | Cc1ccn4c(=O)c1C#N.c15nc6no1.c16ccsc1.C45 |
1932907 | Cc1ccn(Cc2noc3c2CCCC3)c(=O)c1C#N | [C][C][C][=C][N][Branch1][#C][C][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][P][C][#N] | Cc1ccn4c(=O)c1C#N.c15noc2c1CCCC2.C45 |
1932908 | Cc1ccn(Cc2cnn(C)c2C(F)(F)F)c(=O)c1C#N | [C][C][C][=C][N][Branch2][Ring1][Ring2][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][#N] | Cc1ccn3c(=O)c1C#N.c15cnn(C)c14.C4(F)(F)F.C35 |
1932909 | Cc1nn(Cc2ccc(-n3cccn3)cc2)c(C)c1CCO | [C][C][=N][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][C][C][C][O] | Cc1nn4c(C)c16.c15ccc7cc1.n17cccn1.C6CO.C45 |
1932910 | Cc1nn(Cc2nc(C(C)(C)C)no2)c(C)c1CCO | [C][C][=N][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][O][Ring1][=Branch2][C][Branch1][C][C][=C][Ring1][S][C][C][O] | Cc1nn3c(C)c16.c14nc5no1.C5(C)(C)C.C6CO.C34 |
1932911 | Cc1nn(Cc2ncn(-c3ccccc3)n2)c(C)c1CCO | [C][C][=N][N][Branch2][Ring1][Ring1][C][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][C][C][C][O] | Cc1nn4c(C)c16.c15ncn7n1.c17ccccc1.C6CO.C45 |
1932912 | COc1cc2ccncc2cc1OCC(=O)Nc1ccc(F)cc1F | [C][O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15cc2ccncc2cc16.c17ccc(F)cc1F.C4C3=O.CO5.O46.N37 |
1932913 | Cc1cc(Cn2cc(CCO)cn2)c2ccccc2n1 | [C][C][=C][C][Branch1][=C][C][N][C][=C][Branch1][Ring2][C][C][O][C][=N][Ring1][Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc4c2ccccc2n1.n13cc5cn1.C5CO.C34 |
1932914 | CC(C)Cc1nc(Cn2cc(CCO)cn2)no1 | [C][C][Branch1][C][C][C][C][=N][C][Branch1][=C][C][N][C][=C][Branch1][Ring2][C][C][O][C][=N][Ring1][Branch2][=N][O][Ring1][=C] | c14nc5no1.n13cc6cn1.CC(C)C4.C6CO.C35 |
1932915 | CC(C)(C)c1noc(Cn2cc(CCO)cn2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch1][=C][C][N][C][=C][Branch1][Ring2][C][C][O][C][=N][Ring1][Branch2][=N][Ring1][=C] | c14noc5n1.n13cc6cn1.CC4(C)C.C6CO.C35 |
1932916 | O=c1[nH]c(CCC2CCCCO2)nc2cc(C(F)(F)F)ccc12 | [O][=C][NH1][C][Branch1][O][C][C][C][C][C][C][C][O][Ring1][=Branch1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][#Branch2] | O=c1[nH]c4nc2cc5ccc12.C13CCCCO1.C5(F)(F)F.C4C3 |
1932917 | CCc1ccc2nc(CCC3CCCCO3)[nH]c(=O)c2c1 | [C][C][C][=C][C][=C][N][=C][Branch1][O][C][C][C][C][C][C][C][O][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c16ccc2nc5[nH]c(=O)c2c1.C14CCCCO1.C5C4.CC6 |
1932918 | COC(=O)c1coc(C(=O)Nc2ccnn2C2CCCCC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][O][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][Ring2][Ring1][Ring1] | c17coc6c1.c15ccnn18.C18CCCCC1.C37=O.C46=O.CO3.N45 |
1932919 | COC(=O)c1coc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][=C][Ring2][Ring1][Branch1] | c19ccc%10cc1.c18coc7c1.n1%10ccnc1.C48=O.C57=O.C69C.CO4.N56 |
1932920 | COC(=O)c1coc(-c2nc(-c3cccs3)no2)c1 | [C][O][C][=Branch1][C][=O][C][=C][O][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][Ring1][#C] | c15coc6c1.c16nc7no1.c17cccs1.C45=O.CO4 |
1932921 | COC(=O)c1coc(C(=O)Nc2ccnn2Cc2ccsc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][=C][S][C][=Ring1][Branch1][=C][Ring2][Ring1][Ring1] | c17coc6c1.c15ccnn18.c19ccsc1.C37=O.C46=O.CO3.N45.C89 |
1932922 | CC(C)(C)c1nc(N2CCC(C(=O)NCc3cccnc3)CC2)no1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S][=N][O][Ring2][Ring1][Branch1] | N16CCC7CC1.c18nc6no1.c19cccnc1.CC8(C)C.C47=O.N45.C59 |
1932923 | COC(=O)c1coc(C(=O)N(C)c2nc3ccccc3s2)c1 | [C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring2][Ring1][C] | c16nc2ccccc2s1.c18coc7c1.C48=O.C57=O.N56C.CO4 |
1932924 | Cc1nc2ncnn2c(NC2CS(=O)(=O)c3ccccc32)c1C | [C][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch2][Ring1][Branch1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][Branch1][C] | N4C1CS(=O)(=O)c2ccccc21.Cc1nc2ncnn2c4c1C |
1932925 | Nc1nc(N2CCC(COCc3ccccc3)C2)c2nc[nH]c2n1 | [N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][#Branch1] | Nc1nc6c2nc[nH]c2n1.N16CCC7C1.c18ccccc1.C47.O45.C58 |
1932927 | OCc1cc(Br)cc(CO)c1OCC1CC1 | [O][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2][O][C][C][C][C][Ring1][Ring1] | c15cc(Br)cc6c13.C14CC1.OC5.C6O.O23.C24 |
1932928 | OCc1cc(F)cc(CO)c1OCc1noc(C2CCCCC2)n1 | [O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2][O][C][C][=N][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O] | c16cc(F)cc7c14.c15noc8n1.C18CCCCC1.OC6.C7O.O34.C35 |
1932929 | Cc1ccc2c(OCC(=O)NCC(F)(F)F)cccc2n1 | [C][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][Ring1][S][=N][Ring2][Ring1][Ring2] | Cc1ccc2c5cccc2n1.C6C(F)(F)F.C4C3=O.O45.N36 |
1932930 | COCCC(C)(C)C(=O)N1CCC(NC(=O)c2occc2C)CC1 | [C][O][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][#C] | C5CC(C)(C)C3=O.N13CCC6CC1.c17occc1C.C47=O.CO5.N46 |
1932932 | CC(C(F)(F)F)S(=O)(=O)NC1CCCn2ncnc21 | [C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][N][=C][N][=C][Ring1][Branch1][Ring1][=Branch2] | N3C1CCCn2ncnc21.CC(C(F)(F)F)S3(=O)=O |
1932933 | CCCCCS(=O)(=O)NC1CCCn2nc(C(C)C)nc21 | [C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][Branch2][Ring1][N] | N3C1CCCn2nc4nc21.CCCCCS3(=O)=O.C4(C)C |
1932935 | CCCCCS(=O)(=O)N1CCC(Cn2nc(C)cc2C)CC1 | [C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=C] | CCCCCS3(=O)=O.N13CCC5CC1.n14nc(C)cc1C.C45 |
1932936 | Cn1cc(CNc2ccc(S(C)(=O)=O)nc2)c(-c2ccccc2)n1 | [C][N][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring1][#Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | c14ccc(S(C)(=O)=O)nc1.Cn1cc5c6n1.c16ccccc1.C35.N34 |
1932937 | CS(=O)(=O)c1ccc(NCc2c[nH]nc2-c2ccccc2F)cn1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring2][Ring1][Ring2] | CS(=O)(=O)c1ccc4cn1.c16ccccc1F.c15c[nH]nc16.N34.C35 |
1932938 | CS(=O)(=O)c1ccc(NCc2ncccc2C(F)(F)F)cn1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring2][Ring1][C] | CS(=O)(=O)c1ccc4cn1.c15ncccc16.C6(F)(F)F.N34.C35 |
1932939 | CC1CCc2nc(CNc3ccc(S(C)(=O)=O)nc3)sc2C1 | [C][C][C][C][C][N][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring1][#Branch2][S][C][=Ring1][P][C][Ring2][Ring1][Branch1] | CC1CCc2nc6sc2C1.c15ccc(S(C)(=O)=O)nc1.C46.N45 |
1932940 | CCCn1cc(CNc2nnc(C(F)F)s2)cn1 | [C][C][C][N][C][=C][Branch1][P][C][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][S][Ring1][Branch2][C][=N][Ring1][#C] | n15cc7cn1.c14nnc6s1.CCC5.C6(F)F.C37.N34 |
1932941 | CCc1ccc(CNc2nnc(C(F)F)s2)o1 | [C][C][C][=C][C][=C][Branch1][P][C][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][S][Ring1][Branch2][O][Ring1][#C] | c15ccc6o1.c14nnc7s1.C7(F)F.CC5.C36.N34 |
1932942 | Cn1cc(CNc2nnc(C(F)F)s2)c(-c2cccs2)n1 | [C][N][C][=C][Branch1][P][C][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][S][Ring1][Branch2][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][Ring2] | Cn1cc6c7n1.c14nnc5s1.c17cccs1.C5(F)F.C36.N34 |
1932943 | FC(F)c1nnc(NCc2csc(-c3ccccn3)n2)s1 | [F][C][Branch1][C][F][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][S][Ring2][Ring1][C] | c16nnc5s1.c17csc8n1.c18ccccn1.FC6F.N45.C47 |
1932944 | Cc1ccncc1NCc1cn(C)nc1-c1cccs1 | [C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | Cc1ccncc13.c14cn(C)nc15.c15cccs1.N23.C24 |
1932945 | COc1ccc(-c2n[nH]cc2CNc2cnccc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring2] | c13ccc7cc1.c15cnccc1C.c17n[nH]cc16.CO3.C46.N45 |
1932946 | N#CCc1ccc(NCc2nc3c(s2)CCC3)cc1 | [N][#C][C][C][=C][C][=C][Branch1][P][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][S] | c16nc2c(s1)CCC2.c17ccc5cc1.N#CC7.N45.C46 |
1932947 | COC(=O)c1coc(C(=O)N(CC2CC2)c2cccnc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c18coc7c1.c16cccnc1.C38=O.C47=O.N456.C19CC1.CO3.C59 |
1932948 | COc1ccccc1C(C#N)NC(=O)c1nc(C)oc1-c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc16.c15nc(C)oc17.c17ccccc1.C46C#N.C25=O.CO3.N24 |
1932949 | Cc1nccc(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][C][Ring1][P][=N][Ring2][Ring1][#Branch1] | c16c(C)nn(C)c1C.Cc1nccc5n1.N15CCN4CC1.C4(=O)C6 |
1932950 | Cc1nccc(N2CCN(C(=O)c3scnc3C)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][=C][=N][Ring2][Ring1][Ring2] | Cc1nccc5n1.N15CCN4CC1.c16scnc1C.C46=O |
1932952 | Cc1ccc2c(OC(=O)c3ccnn3C)cccc2n1 | [C][C][=C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | Cc1ccc2c5cccc2n1.c16ccnn1C.C46=O.O45 |
1932953 | Cc1nccc(N2CCN(C(=O)c3cccnc3C)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][#C][=N][Ring2][Ring1][Branch1] | Cc1nccc5n1.N15CCN4CC1.c16cccnc1C.C46=O |
1932954 | Cc1ccc2c(OC(=O)c3cc(C)nn3C)cccc2n1 | [C][C][=C][C][=C][C][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][C][Ring1][S][=N][Ring2][Ring1][Ring2] | Cc1ccc2c5cccc2n1.c16cc(C)nn1C.C46=O.O45 |
1932955 | Cc1ncsc1C(=O)NCCC1(C)OCCO1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1] | Cc1ncsc14.C15(C)OCCO1.C24=O.C3C5.N23 |
1932957 | CC1(CCNC(=O)NCCc2cc3ccccc3[nH]2)OCCO1 | [C][C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][O][C][C][O][Ring2][Ring1][=Branch1] | c19cc2ccccc2[nH]1.CC18OCCO1.C8C6.C45=O.C7C9.N46.N57 |
1932958 | CC1(CCNC(=O)NCC2(c3ccccc3Cl)CC2)OCCO1 | [C][C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#Branch2][O][C][C][O][Ring2][Ring1][=Branch1] | c1%10ccccc1Cl.CC18OCCO1.C19%10CC1.C8C6.C45=O.N46.N57.C79 |
1932959 | CC1(CCNC(=O)NCC2(c3c(F)cccc3F)CC2)OCCO1 | [C][C][Branch2][Ring1][=N][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][O][O][C][C][O][Ring2][Ring1][#Branch1] | c1%10c(F)cccc1F.CC18OCCO1.C19%10CC1.C8C6.C45=O.N46.N57.C79 |
1932960 | COCCC(C)(C)CNC(=O)NC1CCc2nc(C)nn2C1 | [C][O][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][=N][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][Ring1][#Branch2] | C17CCc2nc(C)nn2C1.C5CC(C)(C)C6.C34=O.CO5.N36.N47 |
1932961 | CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(C)c2)cc1 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | S6(=O)(=O)c1ccc7cc1.c18cccc(C)c1.C7C3=O.CC4.N46.N35.C58 |
1932962 | COCCC(C)(C)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 | [C][O][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | C5CC(C)(C)C3=O.C16CCN4CC1.C17CCCCC1.C47=O.CO5.N36 |
1932963 | CC(Cc1ccsc1)NC(=O)c1ccc2c(c1)ncn2CCO | [C][C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][O] | c15ccc2c(c1)ncn26.c17ccsc1.CC4C7.C35=O.C6CO.N34 |
1932964 | CN(Cc1ccc2nonc2c1)C(=O)c1nn(C)c2c1CCCC2 | [C][N][Branch1][#C][C][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1] | c15nn(C)c2c1CCCC2.c16ccc2nonc2c1.CN34.C35=O.C46 |
1932965 | Cc1[nH]c(=O)c(C(=O)N2CCCC2c2ccco2)c(C)c1Cl | [C][C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][C][C][C][=Ring2][Ring1][Ring2][Cl] | Cc1[nH]c(=O)c4c(C)c1Cl.N13CCCC15.c15ccco1.C34=O |
1932966 | CC(=O)Nc1cccc(C(C)OC(=O)c2ccc3c(c2)N(C)CC3)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][N][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c18ccc2c(c1)N(C)CC2.c17cccc9c1.CC5=O.C69C.C48=O.N57.O46 |
1932967 | Cc1csc(=NS(=O)(=O)c2cccc(N(C)C)c2)[nH]1 | [C][C][=C][S][C][=Branch2][Ring1][Branch2][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][NH1][Ring2][Ring1][C] | Cc1csc(=NS(=O)(=O)c2cccc3c2)[nH]1.N3(C)C |
1932968 | COc1ccc(Cn2ncnc2-c2cc(C(F)(F)F)n[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c13ccc6cc1.n14ncnc17.c17cc5n[nH]1.C5(F)(F)F.CO3.C46 |
1932969 | CC(C)c1nc(CN2CCN(C(=O)c3ccc[nH]3)CC2)co1 | [C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch1][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring1][=N][=C][O][Ring2][Ring1][Ring1] | N15CCN4CC1.c17nc8co1.c16ccc[nH]1.CC7C.C46=O.C58 |
1932970 | O=C(NCC(O)c1ccc(F)cc1)Nc1cnns1 | [O][=C][Branch2][Ring1][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][N][=N][S][Ring1][Branch1] | c16ccc(F)cc1.c15cnns1.C4C6O.O=C23.N24.N35 |
1932971 | CCc1cc(C(=O)N2CCN(C(=O)N(C)C)CC2)cc(=O)[nH]1 | [C][C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring2] | c17cc6cc(=O)[nH]1.N13CCN4CC1.C36=O.C45=O.N5(C)C.CC7 |
1932972 | O=C(NC1CCC(O)CC1)c1cc2c(ccc3ccccc32)[nH]1 | [O][=C][Branch1][=N][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][NH1][Ring1][=N] | c16cc2c(ccc3ccccc32)[nH]1.C15CCC(O)CC1.O=C46.N45 |
1932973 | CSc1nc(C(C)C)nc(C)c1C(=O)N1CCc2ccccc2C1 | [C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c16nc5nc(C)c14.C5(C)C.C34=O.CS6 |
1932974 | COc1ccc(NC(=O)c2c(C)nc(C(C)C)nc2SC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][#Branch2][S][C][C][=C][Ring2][Ring1][Branch1] | c16c8nc7nc1C.c14ccc5cc1.C36=O.C7(C)C.CO4.N35.S8C |
1932975 | O=c1ccc2cc(S(=O)(=O)N3CCN(CCO)CC3)ccc2o1 | [O][=C][C][=C][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][=Branch1] | O=c1ccc2cc(S5(=O)=O)ccc2o1.N15CCN4CC1.C4CO |
1932976 | CCN1CCc2nc(NC(=O)C3(c4ccc(F)cc4)CC3)sc2C1 | [C][C][N][C][C][C][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][S][C][=Ring2][Ring1][C][C][Ring2][Ring1][=Branch1] | N16CCc2nc7sc2C1.c19ccc(F)cc1.C189CC1.C58=O.CC6.N57 |
1932977 | CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(C(N)=O)c1 | [C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2] | c17nc6nc(C)c14.c13cccc5c1.C6(C)C.C24=O.C5(N)=O.CS7.N23 |
1932979 | CN(CC(=O)NC1CC1)C(=O)C1(c2cccc(Cl)c2)CC1 | [C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#Branch2] | c18cccc(Cl)c1.C5C3=O.C178CC1.CN45.C16CC1.C47=O.N36 |
1932980 | CSc1cc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)ccn1 | [C][S][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][NH1][C][Ring1][#Branch2][=O][=C][C][=N][Ring2][Ring1][Ring2] | c14cc6c[nH]c1=O.c17cc5ccn1.C6(F)(F)F.C35=O.CS7.N34 |
1932981 | COc1ccc(O)c(C(=O)N2CCCC(C(=O)NCC3CC3)C2)c1 | [C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | c16ccc(O)c9c1.N14CCCC8C1.C49=O.C58=O.C1%10CC1.CO6.N57.C7%10 |
1932982 | Cc1cccc(C(=O)N2CCCC(C(=O)NCC3CC3)C2)c1O | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][Branch1][O] | Cc1cccc8c1O.N14CCCC7C1.C48=O.C57=O.C19CC1.N56.C69 |
1932983 | O=C(NCC1CC1)C1CCCN(C(=O)c2ccc(Cl)cc2O)C1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Ring1][S] | c17ccc(Cl)cc1O.C16CCCN4C1.O=C36.C18CC1.C47=O.N35.C58 |
1932984 | COc1cccc(C(=O)N2CCCC(C(=O)NCC3CC3)C2)c1O | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][Branch1][O] | c16cccc9c1O.N14CCCC8C1.C49=O.C58=O.C1%10CC1.CO6.N57.C7%10 |
1932985 | CCN(CC(=O)N1CCC(n2cccn2)CC1)c1ccccc1 | [C][C][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCC7CC1.c16ccccc1.n17cccn1.C5C3=O.N456.CC4 |
1932987 | O=C(C1C2CCC(C2)N1C(=O)C1CC1)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Ring1][=Branch1] | C15C2CCC(C2)N14.N13CCOCC1.O=C35.C46=O.C16CC1 |
1932988 | Cc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c(C)n1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][Branch1][C][C][=N][Ring2][Ring1][Branch2] | c17c[nH]c2ncccc12.Cc1ccc6c(C)n1.N15CCC7CC1.C56=O |
1932989 | CSc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][=C][C][=N][Ring2][Ring1][=Branch1] | c19cc8ccn1.c17ccc6cc1.c15ncccn1.C48=O.CS9.N47.O56 |
1932990 | CCc1ccsc1C(=O)Nc1ccc2c(c1)OCC(=O)N2 | [C][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2] | c14ccc2c(c1)OCC(=O)N2.c16ccsc15.C35=O.CC6.N34 |
1932992 | CCc1ccsc1C(=O)NCc1ccn(-c2ccccc2)n1 | [C][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] | c17ccsc15.c16ccn8n1.c18ccccc1.C35=O.CC7.N34.C46 |
1932993 | CSc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][=C][C][=N][Ring2][Ring1][Branch1] | c18cc7ccn1.c15cccc6c1.N16CCOCC1.C47=O.CS8.N45 |
1932994 | CCC(C)C(NC(=O)c1n[nH]c(=O)[nH]1)c1nc2ccccc2[nH]1 | [C][C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.CCC(C)C46.c15n[nH]c(=O)[nH]1.C35=O.N34 |
1932995 | Cc1noc(C2CCN(C(=O)c3ccc4ccccc4c3O)CC2)n1 | [C][C][=N][O][C][Branch2][Ring1][S][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] | c16ccc2ccccc2c1O.C17CCN5CC1.Cc1noc7n1.C56=O |
1932996 | CCN(CC(=O)N(C)CC1CCCCO1)c1ccccc1 | [C][C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CCCCO1.c16ccccc1.C4C2=O.N346.N25C.CC3.C57 |
1932997 | CNS(=O)(=O)c1ccc(C(C)NC(=O)c2cccn2C)cc1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | S5(=O)(=O)c1ccc7cc1.c16cccn1C.C47C.C36=O.CN5.N34 |
1932999 | CSc1ccc(CN(C)c2nc(C)cc(C)n2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][P] | c14nc(C)cc(C)n1.c16ccc5cc1.N34C.CS6.C35 |
1933000 | CCOc1cc2c(cc1OCC)CN(c1nc(C)cc(C)n1)CC2 | [C][C][O][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch1][#C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][C][Ring2][Ring1][Ring1] | c15cc2c(cc16)CN7CC2.c17nc(C)cc(C)n1.CC3.O35.O46.C4C |
1933001 | Cc1cc(C)nc(NC(C(N)=O)c2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc4n1.c15ccccc1.C35C(N)=O.N34 |
1933002 | Cc1cc(C)nc(N(C)Cc2ccc(F)cc2F)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][C] | Cc1cc(C)nc4n1.c15ccc(F)cc1F.N34C.C35 |
1933003 | Cc1cc(NCC(=O)NC(C)c2cccs2)ccc1-n1cnnn1 | [C][C][=C][C][Branch2][Ring1][Ring1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][C][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc6ccc18.c17cccs1.n18cnnn1.C4C3=O.C57C.N46.N35 |
1933005 | COCc1ccc(C(=O)NC2CCCc3occc32)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][O][Ring1][P] | N4C1CCCc2occc21.c17ccc6o1.C46=O.CO5.C57 |
1933006 | Cc1cc(-n2c(C)cc(C(=O)NC3CCCc4occc43)c2C)no1 | [C][C][=C][C][Branch2][Ring2][C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][=C][Ring2][Ring1][C][C][=N][O][Ring2][Ring1][Branch2] | N5C1CCCc2occc21.n17c(C)cc6c1C.Cc1cc7no1.C56=O |
1933007 | Cn1ncc(C(=O)NC2CCCc3occc32)c1-n1cccc1 | [C][N][N][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][=C][Ring1][P][N][C][=C][C][=C][Ring1][Branch1] | N4C1CCCc2occc21.Cn1ncc5c16.n16cccc1.C45=O |
1933008 | CC(C)OCC(O)CN1CCN(C(C)c2ccccc2Cl)CC1 | [C][C][Branch1][C][C][O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][=C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C] | N15CCN6CC1.c17ccccc1Cl.C4C(O)C5.CC3C.C67C.O34 |
1933009 | O=C(NCCc1ccccc1)C1CCN1S(=O)(=O)c1ccccc1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c16ccccc1.C15CCN14.O=C25.C3C6.N23 |
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