ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1932786 | Cc1csc(C(C)CNC(=O)NC2CCOCC2)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring2][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1csc7n1.C16CCOCC1.C7(C)C5.C34=O.N35.N46 |
1932787 | CN(CCc1ccc(F)cc1)C(=O)c1ccnc(OC2CCOC2)c1 | [C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring1][N] | c18ccc(F)cc1.c17ccnc4c1.C15CCOC1.CN36.C6C8.C37=O.O45 |
1932788 | Cc1noc(C)c1CNC(=O)N1CCOC(CCc2ccccc2)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | Cc1noc(C)c17.N14CCOC6C1.c18ccccc1.C34=O.C6C8.C57.N35 |
1932789 | Cc1ccc2c(n1)OCCN2Cc1nnc(C(C)C)n1C | [C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][C][N][Ring1][#Branch1][C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C] | Cc1ccc2c(n1)OCCN23.c14nnc5n1C.C5(C)C.C34 |
1932790 | Cc1csc(C(C)CNC(=O)NCCc2nc(C)no2)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch2][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1csc7n1.c18nc(C)no1.C7(C)C5.C34=O.C6C8.N35.N46 |
1932791 | Cc1ncsc1CNC(=O)NCC(C)c1nccs1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1] | Cc1ncsc16.c17nccs1.C5C7C.C23=O.C46.N24.N35 |
1932792 | Cc1cc(-c2nnc(CNC(C)C(C)c3ccccc3)o2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][N][C][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P][=C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | Cc1cc8c(C)o1.c18nnc6o1.c17ccccc1.C5(C)C7C.C46.N45 |
1932793 | Cn1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)n1 | [C][N][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C][=N][Ring2][Ring1][#Branch1] | Cn1ccc7n1.c1%10ccc8s1.c19ccccc1.C4%10=O.C56=O.N47.N58.N69 |
1932794 | Cn1nnc2cc(C(=O)N3CCCc4cccc(Cl)c43)cnc21 | [C][N][N][=N][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][O][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | N15CCCc2cccc(Cl)c21.Cn1nnc2cc6cnc21.C56=O |
1932795 | Cc1cnc(C(C)CNC(=O)NCC2(C)CCCO2)s1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][O][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | Cc1cnc8s1.C17(C)CCCO1.C8(C)C5.C34=O.N35.N46.C67 |
1932796 | CC(CNC(=O)NCc1ccn(C2CCCC2)n1)c1nccs1 | [C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=Ring1][#Branch2][C][=N][C][=C][S][Ring1][Branch1] | c18ccn9n1.C19CCCC1.c17nccs1.CC7C5.C34=O.N35.N46.C68 |
1932797 | CCC(NC(=O)NCC(C)c1nccs1)C1CCCO1 | [C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1][C][C][C][C][O][Ring1][Branch1] | c17nccs1.C16CCCO1.CCC46.C5C7C.C23=O.N24.N35 |
1932798 | Cc1c(CNC(=O)N2CCOC(CCc3ccccc3)C2)cnn1C | [C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][C][=N][N][Ring2][Ring1][#Branch1][C] | Cc1c8cnn1C.N15CCOC7C1.c19ccccc1.C45=O.C7C9.C68.N46 |
1932799 | C=CC1CCN(C(=O)c2ccnc(OC3CCOC3)c2)CC1 | [C][=C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | C=CC1CCN4CC1.c17ccnc5c1.C16CCOC1.C47=O.O56 |
1932800 | CCc1cnccc1C(=O)OC(c1cnn(C)c1)C(F)(F)F | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15cnccc14.C36C(F)(F)F.c16cnn(C)c1.C24=O.CC5.O23 |
1932801 | O=C(c1ccnc(OC2CCOC2)c1)N1CCC(C(F)(F)F)CC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring1][N][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2] | c16ccnc4c1.N13CCC7CC1.C15CCOC1.C7(F)(F)F.O=C36.O45 |
1932802 | COCC(NCc1nc2ccccc2o1)c1ccco1 | [C][O][C][C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][O][Ring1][Branch1] | c17nc2ccccc2o1.c16ccco1.C3C46.CO3.N45.C57 |
1932803 | Cc1cccc(COC(=O)c2cnc3c(c2)nnn3C)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring2] | c16cnc2c(c1)nnn2C.Cc1cccc7n1.C46=O.C57.O45 |
1932806 | CC1CC(C)(C)N(C(=O)c2cnc3c(c2)nnn3C)c2ccccc21 | [C][C][C][C][Branch1][C][C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] | CC1CC(C)(C)N4c2ccccc21.c15cnc2c(c1)nnn2C.C45=O |
1932807 | Cc1nnc(CNC2CCCCC2c2ccccc2C(F)(F)F)o1 | [C][C][=N][N][=C][Branch2][Ring1][O][C][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][#Branch1] | C14CCCCC17.c17ccccc16.Cc1nnc5o1.C6(F)(F)F.C35.N34 |
1932808 | Cc1cc(COC(=O)c2cscc2C)nc(C)n1 | [C][C][=C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][C][=N][C][Branch1][C][C][=N][Ring1][P] | Cc1cc6nc(C)n1.c15cscc1C.C35=O.C46.O34 |
1932809 | Cc1ncsc1C(=O)NCc1cc(Cl)cc2c1OCC2 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][Branch1] | c16cc(Cl)cc2c1OCC2.Cc1ncsc15.C35=O.N34.C46 |
1932810 | O=C(NCCc1cccnc1)c1occc1CSc1ccccc1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][C][=C][C][=Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccnc1.c15occc17.c18ccccc1.O=C25.C3C6.N23.C47.S48 |
1932811 | CCOc1cccc2cc(C(C)NCc3noc(C)n3)oc12 | [C][C][O][C][=C][C][=C][C][C][=C][Branch1][P][C][Branch1][C][C][N][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][O][C][Ring2][Ring1][Ring1][=Ring1][#C] | c15cccc2cc8oc12.c19noc(C)n1.C68C.CC4.O45.N67.C79 |
1932812 | O=C(NC1(Cc2ccccc2)CCCC1)C1CCOC1 | [O][=C][Branch2][Ring1][Ring2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][N][C][C][C][O][C][Ring1][Branch1] | C146CCCC1.c17ccccc1.C15CCOC1.O=C35.N34.C67 |
1932814 | COC(=O)c1ccc(F)c(NCC(=O)NCc2ccco2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | c18ccc(F)c7c1.c19ccco1.C5C4=O.C38=O.CO3.N57.N46.C69 |
1932815 | Cc1cc(C(=O)N2CCOC(CCc3ccccc3)C2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][O][Ring2][Ring1][Branch1] | N14CCOC6C1.Cc1cc5no1.c17ccccc1.C45=O.C6C7 |
1932816 | O=C(c1ccon1)N1CCOC(CCc2ccccc2)C1 | [O][=C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][N][C][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | N13CCOC5C1.c16ccccc1.c14ccon1.O=C34.C5C6 |
1932817 | Cn1nccc1C(=O)N1CCOC(CCc2ccccc2)C1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | N13CCOC5C1.Cn1nccc14.c16ccccc1.C34=O.C5C6 |
1932818 | Cc1cc(C(=O)N2CCOC(CCc3ccccc3)C2)on1 | [C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][O][N][=Ring2][Ring1][Branch1] | N14CCOC6C1.Cc1cc5on1.c17ccccc1.C45=O.C6C7 |
1932819 | Cc1nc(NC(=O)CCc2cccs2)n(C)n1 | [C][C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][C][C][N][=Ring1][S] | Cc1nc4n(C)n1.C3(=O)CC5.c15cccs1.N34 |
1932820 | O=C(Cn1cnnn1)N1CCc2c(Br)ccc(F)c2C1 | [O][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][N][C][C][C][=C][Branch1][C][Br][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][N] | N13CCc2c(Br)ccc(F)c2C1.n14cnnn1.O=C3C4 |
1932821 | Cc1csc(C(C)NCCOc2cccc(C#N)c2)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][C][O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][Ring2][Ring1][Ring1] | c14cccc(C#N)c1.Cc1csc7n1.C57C.C6C3.N56.O34 |
1932822 | COc1ccc2oc(C(C)NCc3noc(C)n3)c(C)c2c1 | [C][O][C][=C][C][=C][O][C][Branch1][P][C][Branch1][C][C][N][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Branch1][C][C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c14ccc2oc7c(C)c2c1.c18noc(C)n1.C57C.CO4.N56.C68 |
1932823 | CC(NCCN(C)S(C)(=O)=O)c1nc(-c2ccccc2)cs1 | [C][C][Branch1][S][N][C][C][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | c17nc8cs1.c18ccccc1.S6(C)(=O)=O.CC37.C4C5.N56C.N34 |
1932825 | CC(NCc1nc(C2CC2)no1)c1ncc(-c2ccccc2)o1 | [C][C][Branch1][P][N][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | c16nc7no1.c15ncc8o1.c18ccccc1.CC35.C17CC1.N34.C46 |
1932826 | CCC(C)NC(=O)c1ccccc1NC(=O)c1ccc2[nH]cnc2n1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][=Branch2] | c17ccc2[nH]cnc2n1.c18ccccc16.CCC5C.C38=O.C47=O.N35.N46 |
1932827 | Cc1sc(C(C)NCC(N)=O)nc1-c1ccc(Cl)cc1 | [C][C][S][C][Branch1][N][C][Branch1][C][C][N][C][C][Branch1][C][N][=O][=N][C][=Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1sc4nc15.c15ccc(Cl)cc1.C3C(N)=O.C24C.N23 |
1932828 | CC(NCC(N)=O)c1nc(-c2ccc(Br)cc2)cs1 | [C][C][Branch1][Branch2][N][C][C][Branch1][C][N][=O][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][S][Ring1][N] | c16ccc(Br)cc1.c15nc6cs1.C4C(N)=O.CC35.N34 |
1932829 | Cc1cnc(C(C)NCCOc2cccc(C#N)c2)s1 | [C][C][=C][N][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][C][O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][S][Ring2][Ring1][Ring1] | c14cccc(C#N)c1.Cc1cnc7s1.C57C.C6C3.N56.O34 |
1932830 | CC(C)n1nnnc1CNC(C)(C)c1cn(-c2ccccc2)nn1 | [C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][Branch1][C][C][Branch1][C][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] | n15nnnc16.c17cn8nn1.c18ccccc1.C47(C)C.CC5C.C36.N34 |
1932831 | CC(NCc1nc(-c2ccco2)no1)c1cn(-c2ccccc2)nn1 | [C][C][Branch2][Ring1][Ring1][N][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] | c16nc8no1.c15cn7nn1.c17ccccc1.c18ccco1.CC35.N34.C46 |
1932832 | Cc1noc(CNC(C)C2COc3ccccc32)n1 | [C][C][=N][O][C][Branch2][Ring1][Ring2][C][N][C][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][Ring2][Ring1][C] | C5(C)C1COc2ccccc21.Cc1noc6n1.C46.N45 |
1932833 | Cc1nnc(CN2CCOC(CCc3ccccc3)C2)o1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch1][C][N][C][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][O][Ring2][Ring1][Ring2] | N14CCOC5C1.Cc1nnc6o1.c17ccccc1.C5C7.C46 |
1932835 | CCc1cnccc1C(=O)OC(C)c1ccccn1 | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16cnccc14.c15ccccn1.C24=O.C35C.CC6.O23 |
1932836 | Cc1cc(C)c(C(=O)OCCCn2cccn2)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1] | Cc1cc(C)c5c(=O)[nH]1.n16cccn1.C4CC6.C35=O.O34 |
1932837 | O=C(NC(CO)CO)c1ccc(-c2ccccc2F)s1 | [O][=C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c16ccccc1F.c15ccc6s1.C4(CO)CO.O=C35.N34 |
1932838 | Cc1cc(C)c(C(=O)OC(c2ncccn2)C2CCCC2)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1] | Cc1cc(C)c5c(=O)[nH]1.c16ncccn1.C17CCCC1.C35=O.C467.O34 |
1932839 | Cc1cc(C)c(C(=O)OCc2cc(-c3ccccc3)[nH]n2)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1] | Cc1cc(C)c6c(=O)[nH]1.c17cc8[nH]n1.c18ccccc1.C46=O.O45.C57 |
1932842 | Cc1csc(C(C)CNC(=O)Nc2cnc(C3CC3)nc2)n1 | [C][C][=C][S][C][Branch2][Ring1][O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][=N][Ring2][Ring1][Branch1] | c17cnc9nc1.Cc1csc8n1.C8(C)C6.C45=O.C19CC1.N46.N57 |
1932843 | Cc1csc(C(C)CNC(=O)Nc2ccc3[nH]c(C)cc3c2)n1 | [C][C][=C][S][C][Branch2][Ring1][N][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1] | c17ccc2[nH]c(C)cc2c1.Cc1csc8n1.C8(C)C6.C45=O.N46.N57 |
1932846 | Cc1nc2cc(NC(=O)N(CCO)C(C)C)ccc2o1 | [C][C][=N][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][Branch1][C][C][C][=C][C][=C][Ring1][S][O][Ring2][Ring1][Ring1] | Cc1nc2cc7ccc2o1.C34=O.N456.C5CO.C6(C)C.N37 |
1932847 | COCc1cc(NC(=O)NCc2ccc(Cl)c(C)c2)ncn1 | [C][O][C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][=N][C][=N][Ring2][Ring1][Ring1] | c19ccc(Cl)c(C)c1.c18cc7ncn1.C34=O.CO5.C58.N37.N46.C69 |
1932848 | O=C(Nc1c[nH]nc1-c1ccccn1)N1CCCCC1c1cn[nH]c1 | [O][=C][Branch1][P][N][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][C][=N][NH1][C][=Ring1][Branch1] | N13CCCCC15.c14c[nH]nc16.c16ccccn1.c15cn[nH]c1.O=C23.N24 |
1932850 | CCc1noc(C)c1NC(=O)N1CCCCC1c1cn[nH]c1 | [C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=N][NH1][C][=Ring1][Branch1] | c15noc(C)c14.N13CCCCC16.c16cn[nH]c1.C23=O.CC5.N24 |
1932852 | Cc1cc(NC(=O)N(CCO)C(C)C)c2ncccc2c1 | [C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][Branch1][C][C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc7c2ncccc2c1.C34=O.N456.C5CO.C6(C)C.N37 |
1932854 | CC(c1ccccn1)N(C)Cc1ncccc1C(F)(F)F | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15ncccc16.c14ccccn1.C6(F)(F)F.CC24.N23C.C35 |
1932855 | CCn1cc(C(=O)Nc2cc[nH]n2)c(=O)c2cc(Cl)ccc21 | [C][C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2] | n16cc5c(=O)c2cc(Cl)ccc21.c14cc[nH]n1.C35=O.CC6.N34 |
1932856 | N#Cc1csc(CNc2ccc3c(c2)OCC(=O)N3)c1 | [N][#C][C][=C][S][C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][=C][Ring2][Ring1][C] | c15ccc2c(c1)OCC(=O)N2.N#Cc1csc6c1.C46.N45 |
1932857 | O=C1COc2cc(NCc3nc4c(s3)CCC4)ccc2N1 | [O][=C][C][O][C][=C][C][Branch1][P][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][N][Ring2][Ring1][Ring2] | O=C1COc2cc6ccc2N1.c17nc2c(s1)CCC2.N56.C57 |
1932858 | O=C1COc2cc(NCc3cccc(-c4cccnc4)c3)ccc2N1 | [O][=C][C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][Branch2] | O=C1COc2cc6ccc2N1.c17cccc8c1.c18cccnc1.N56.C57 |
1932859 | O=C1COc2cc(NCc3cnc(C4CCC4)s3)ccc2N1 | [O][=C][C][O][C][=C][C][Branch2][Ring1][C][N][C][C][=C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][S][Ring1][=Branch2][=C][C][=C][Ring1][P][N][Ring2][Ring1][Branch1] | O=C1COc2cc6ccc2N1.c17cnc8s1.C18CCC1.N56.C57 |
1932860 | CCC1(CNC(=O)Nc2nccn(C)c2=O)CCC1 | [C][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][C][Ring1][P] | c16nccn(C)c1=O.C178CCC1.C34=O.CC7.C58.N35.N46 |
1932861 | CC1CCN(C(=O)Nc2ccccc2CN2CCNC2=O)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][C][Ring1][Branch1][=O][C][C][Ring2][Ring1][=Branch1] | CC1CCN3CC1.c15ccccc17.N16CCNC1=O.C34=O.N45.C67 |
1932862 | CCC1CCN(C(=O)Nc2ccccc2CN2CCNC2=O)C1 | [C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][C][Ring1][Branch1][=O][C][Ring2][Ring1][Branch1] | c15ccccc18.C17CCN3C1.N16CCNC1=O.C34=O.CC7.N45.C68 |
1932863 | CC1CC(C)CN(C(=O)Nc2ccccc2CN2CCNC2=O)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][C][Ring1][Branch1][=O][C][Ring2][Ring1][#Branch1] | CC1CC(C)CN3C1.c15ccccc17.N16CCNC1=O.C34=O.N45.C67 |
1932864 | CC1CCN(C(=O)Nc2ccccc2CN2CCNC2=O)CC1C | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][C][Ring1][Branch1][=O][C][C][Ring2][Ring1][=Branch1][C] | CC1CCN3CC1C.c15ccccc17.N16CCNC1=O.C34=O.N45.C67 |
1932865 | O=C(CNc1ccccc1CN1CCNC1=O)NC1CC1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][C][Ring1][Branch1][=O][N][C][C][C][Ring1][Ring1] | c14ccccc17.N16CCNC1=O.O=C2C3.C15CC1.N34.C67.N25 |
1932866 | Cc1c(CNC(=O)Nc2nc(-c3cccs3)ns2)cnn1C | [C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][S][Ring1][#Branch2][C][=N][N][Ring2][Ring1][Ring2][C] | Cc1c8cnn1C.c17nc9ns1.c19cccs1.C45=O.C68.N46.N57 |
1932867 | OC(CCc1ccccc1)Cn1cnc2c(N3CCCC3)ncnc21 | [O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][Ring1][=C] | n15cnc2c4ncnc21.OC(C5)CC6.c16ccccc1.N14CCCC1 |
1932868 | O=C(c1ccccc1)c1nccn1CCS(=O)(=O)c1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C4CS(=O)(=O)c1ccccc1.c13ccccc1.c12nccn14.O=C23 |
1932869 | O=c1[nH]nc(CN2c3cccc4cccc(c34)S2(=O)=O)[nH]1 | [O][=C][NH1][N][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O][NH1][Ring2][Ring1][Ring2] | N15c2cccc3cccc(c23)S1(=O)=O.O=c1[nH]nc6[nH]1.C56 |
1932870 | O=c1[nH]nc(CSc2nnc(-c3ccccc3)c3ccccc23)[nH]1 | [O][=C][NH1][N][=C][Branch2][Ring1][O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][NH1][Ring2][Ring1][#Branch1] | c16nnc7c2ccccc12.O=c1[nH]nc5[nH]1.c17ccccc1.C45.S46 |
1932871 | Cc1nnc(C(=O)N2CC(OCc3cccc4ccccc34)C2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][S][S][Ring2][Ring1][#Branch1] | c19cccc2ccccc12.Cc1nnc8s1.N15CC7C1.C58=O.O67.C69 |
1932873 | CCc1nn(C)c(CC)c1CNc1nnc(-c2ccoc2C)o1 | [C][C][C][=N][N][Branch1][C][C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][N][C][=N][N][=C][Branch1][=Branch2][C][C][=C][O][C][=Ring1][Branch1][C][O][Ring1][O] | c15nn(C)c6c17.c14nnc8o1.c18ccoc1C.CC5.C6C.C37.N34 |
1932874 | Cc1occc1-c1nnc(NCc2cnn(C)c2C)o1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][Branch1][=C][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][O][Ring1][=C] | c15cnn(C)c1C.Cc1occc16.c16nnc4o1.N34.C35 |
1932875 | CCn1nc(C)c(CNc2nnc(-c3ccoc3C)o2)c1C | [C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][C][=C][O][C][=Ring1][Branch1][C][O][Ring1][O][=C][Ring2][Ring1][Ring1][C] | n16nc(C)c7c1C.c15nnc8o1.c18ccoc1C.CC6.C47.N45 |
1932876 | Cc1occc1-c1nnc(NCc2cn(C)nc2C(C)(C)C)o1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][P] | c16cn(C)nc15.Cc1occc17.c17nnc4o1.C5(C)(C)C.N34.C36 |
1932877 | Cc1cc(CNc2nnc(C(F)(F)F)s2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][=C][Branch1][C][C][O][Ring1][P] | Cc1cc6c(C)o1.c14nnc5s1.C5(F)(F)F.C36.N34 |
1932878 | Cc1nn(C)c(C)c1CNc1nnc(C(F)(F)F)s1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | Cc1nn(C)c(C)c15.c13nnc4s1.C4(F)(F)F.C25.N23 |
1932879 | CCCn1cc(CNc2nnc(C(F)(F)F)s2)cn1 | [C][C][C][N][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=N][Ring1][S] | n15cc7cn1.c14nnc6s1.C6(F)(F)F.CCC5.C37.N34 |
1932880 | CCn1nc(C)c(CNc2nnc(C(F)(F)F)s2)c1C | [C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][=C][Ring1][P][C] | n15nc(C)c7c1C.c14nnc6s1.C6(F)(F)F.CC5.C37.N34 |
1932881 | Cn1nccc1CNc1nnc(C(F)(F)F)s1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | Cn1nccc14.c13nnc5s1.C5(F)(F)F.C24.N23 |
1932882 | FC(F)(F)c1nnc(NCc2csc(-c3ccccn3)n2)s1 | [F][C][Branch1][C][F][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.FC6(F)F.N45.C47 |
1932883 | CCc1nn(C)c(OC)c1CNc1nnc(C(F)(F)F)s1 | [C][C][C][=N][N][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | c15nn(C)c2c17.c14nnc6s1.C6(F)(F)F.CC5.O2C.C37.N34 |
1932884 | CCn1nccc1CNc1cccnc1-n1cccn1 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1] | c13cccnc16.n14nccc15.n16cccn1.CC4.C25.N23 |
1932885 | CC(C)(C)c1nnc(NCc2cnc(C3CC3)s2)o1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Branch1][P][N][C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][O][Ring1][#C] | c16nnc5o1.c17cnc8s1.CC6(C)C.C18CC1.N45.C47 |
1932886 | Cn1nncc1CNc1ncc(Cc2ccc(F)cc2)s1 | [C][N][N][=N][C][=C][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=N] | c17ccc(F)cc1.Cn1nncc15.c14ncc6s1.C35.N34.C67 |
1932887 | Cn1nncc1CNc1ncc(Cc2ccc(F)c(F)c2)s1 | [C][N][N][=N][C][=C][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][S][Ring1][=C] | c17ccc(F)c(F)c1.Cn1nncc15.c14ncc6s1.C35.N34.C67 |
1932888 | Cn1nncc1CNc1ncc(Cc2ccc(C#N)cc2)s1 | [C][N][N][=N][C][=C][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][S][Ring1][=C] | c17ccc(C#N)cc1.Cn1nncc15.c14ncc6s1.C35.N34.C67 |
1932889 | Cc1cc(-c2nnc(NCc3cccc4[nH]ccc34)o2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][N][C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][O][Ring1][S][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | c17cccc2[nH]ccc12.Cc1cc8c(C)o1.c18nnc6o1.N56.C57 |
1932890 | COc1cccc(-c2nnc(NCc3ccc(C)o3)o2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][=N][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][O][Ring1][=N][=C][Ring2][Ring1][Ring1][O][C] | c14cccc9c15.c19nnc7o1.c18ccc(C)o1.CO4.N67.C68.O5C |
1932891 | COc1cccc(CC(NS(=O)(=O)c2ccc(N)cc2)C2CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][=Branch1] | S5(=O)(=O)c1ccc(N)cc1.c13cccc7c1.C7C46.C16CC1.CO3.N45 |
1932892 | Cc1cc(S(=O)(=O)NCC2(CCO)CCCCC2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][C][O][C][C][C][C][C][Ring1][=Branch2][=C][Branch1][C][C][O][Ring2][Ring1][Ring2] | Cc1cc(S4(=O)=O)c(C)o1.C156CCCCC1.C6CO.N34.C35 |
1932893 | CC(C)(O)C1CCCN1C(=O)NC1CCN(c2cccs2)CC1 | [C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O] | C16CCN5CC1.C17CCCN13.c15cccs1.CC7(C)O.C34=O.N46 |
1932894 | CC(C)c1nnc(CNC(=O)c2cccc3c2oc(=O)n3C)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][N][Ring2][Ring1][Ring2][C] | c16cccc2c1oc(=O)n2C.c17nnc8n1C.CC7C.C46=O.C58.N45 |
1932895 | O=C(NCc1ncccc1F)N1CCOC(CCc2ccccc2)C1 | [O][=C][Branch1][N][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | c17ncccc1F.N14CCOC6C1.c18ccccc1.O=C34.C6C8.N35.C57 |
1932896 | CC(NC(=O)N1CCCC1C(C)(C)O)c1ccc(-n2ccnn2)cc1 | [C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c17ccc8cc1.N14CCCC16.n18ccnn1.C6(C)(C)O.CC57.C34=O.N35 |
1932897 | Cc1cccc2[nH]c(CNC(=O)N3CCCC3C(C)(C)O)nc12 | [C][C][=C][C][=C][C][NH1][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O][=N][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] | Cc1cccc2[nH]c8nc12.N15CCCC17.C7(C)(C)O.C45=O.C68.N46 |
1932898 | CCCN(CC1CCCCO1)C(=O)Nc1cnn(C)c1 | [C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C17CCCCO1.c16cnn(C)c1.CCC4.N245.C23=O.C57.N36 |
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