ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
12742 | CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2c(=O)c6coc2c1.c17ccccc1.CC4=O.O45.O67 |
12743 | CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2c(=O)c6c(C)oc2c1.c16ccccc1.CC4=O.O45 |
12744 | COc1ccc(-c2c(C)oc3cc(OC(C)=O)ccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | c17c(C)oc2cc6ccc2c1=O.c15ccc7cc1.C4(C)=O.CO5.O46 |
12745 | O=C(CNc1n[nH]c(=O)[nH]c1=O)OCc1ccccc1 | [O][=C][Branch1][#C][C][N][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15n[nH]c(=O)[nH]c1=O.c16ccccc1.O=C2C4.N45.O23.C36 |
12746 | CCOc1ccccc1NC(=O)c1ccc(OC)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c14ccccc16.c17ccc5cc1.C27=O.CC3.O34.N26.O5C |
12747 | Cc1ccc(OCC(=O)Nc2cccc(O)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16cccc(O)c1.C4C3=O.O45.N36 |
12748 | COC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][C] | C2(=O)C5C(C)C.c16ccc4cc1.C36=O.CO2.N35.O4C |
12749 | CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P] | c15ccc2c(=O)c6coc2c1.c16ccccc1.CC4=O.O45 |
12751 | O=S(=O)(c1ccc(Br)cc1)n1cnc2ccccc21 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=S(=O)(c1ccc(Br)cc1)n1cnc2ccccc21 |
12752 | COc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c14ccc(S(=O)(=O)n2cnc3ccccc32)cc1.CO4 |
12753 | CCOC(=O)C1=C(C)NC(=O)c2c(ccc(OC)c2OC)C1O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Ring1][P][O] | C3(=O)C1=C(C)NC(=O)c2c(ccc5c26)C1O.CC4.O34.O5C.O6C |
12754 | COC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c16nc2c(s1)CCCC2.c17ccc8cc1.C47=O.C58=O.CO4.N56 |
12755 | COC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccccc1Cl.CO3 |
12756 | CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccccc2)n2ncnc2N1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch2] | CC1=C(C3=O)C(c2ccccc2)n2ncnc2N1.c14ccc(C)cc1.N34 |
12757 | CC1=C(C(=O)Nc2ccc(C)cc2)C(c2cccnc2)n2ncnc2N1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch2] | CC1=C(C3=O)C(c2cccnc2)n2ncnc2N1.c14ccc(C)cc1.N34 |
12758 | CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccccc2)n2nnnc2N1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch2] | CC1=C(C3=O)C(c2ccccc2)n2nnnc2N1.c14ccc(C)cc1.N34 |
12759 | CC1=C(C(=O)Nc2ccc(C)cc2)C(c2cccnc2)n2nnnc2N1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch2] | CC1=C(C3=O)C(c2cccnc2)n2nnnc2N1.c14ccc(C)cc1.N34 |
12761 | COc1ccc(-c2csc(NC(=O)c3ccco3)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][=N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15ccc9c6c1.c19csc7n1.c18ccco1.C48=O.CO5.N47.O6C |
12762 | COc1ccccc1Oc1ccc(C#N)c(C#N)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch2] | c14ccc(C#N)c(C#N)c1.c12ccccc13.CO2.O34 |
12763 | Cc1nc(C2CC(=O)OC23CCCCC3)cs1 | [C][C][=N][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch1][=C][S][Ring1][S] | C14CC(=O)OC12CCCCC2.Cc1nc4cs1 |
12764 | Cn1c(=O)c2cn(-c3ccccc3N)cc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2cn4cc2n(C)c1=O.c14ccccc1N |
12765 | Cc1nc2c(ccc3nc(NC(=O)c4cccs4)sc32)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][=Ring1][=N][Ring1][P][S][Ring2][Ring1][Ring2] | Cc1nc2c(ccc3nc6sc32)s1.c17cccs1.C57=O.N56 |
12767 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc2ncccc2c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccc2ncccc2c1.CC4.O34 |
12768 | c1ccc(-c2csc(Nc3ncccn3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][N][=C][Ring2][Ring1][C] | c1ccc6nc1.c16csc4n1.c15ncccn1.N45 |
12771 | CC1=C(C(=O)Nc2ccccn2)C(c2ccccn2)n2ncnc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C(c2ccccn2)n2ncnc2N1.c14ccccn1.N34 |
12774 | CC(=O)Nc1ccc(Nc2nc(C)c(C(C)=O)s2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2][C][=C][Ring1][S] | c15ccc6cc1.c14nc(C)c7s1.CC3=O.C7(C)=O.N35.N46 |
12775 | c1ccc(-c2csc(NCc3ccco3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c1ccc7cc1.c17csc5n1.c16ccco1.N45.C46 |
12776 | CC(C)c1ccc(C(C)(C)C)cc1S(N)(=O)=O | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][Branch1][C][N][=Branch1][C][=O][=O] | c12ccc3cc1S(N)(=O)=O.C3(C)(C)C.CC2C |
12778 | COC(=O)c1sc2ccccc2c1NC(=O)C1CC1 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | c16sc2ccccc2c15.C36=O.C47=O.C17CC1.CO3.N45 |
12779 | CCC(=O)Nc1c(C(=O)OC)sc2ccccc12 | [C][C][C][=Branch1][C][=O][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][S][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c15c6sc2ccccc12.CCC4=O.C36=O.N45.O3C |
12780 | Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc(S4(=O)=O)cc1.c15ccncc1.C3C5.N34 |
12781 | Cc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P] | S3(=O)(=O)c1ccc(Cl)cc1.Cc1ccnc4c1.N34 |
12783 | CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)c(C)c2)cc1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][=C][Ring1][O][C][=C][Ring2][Ring1][C][C] | c15ccc7cc1C.c18ccc6c(C)c1.CC3=O.C4(C)=O.N35.C78.N46 |
12785 | Cc1ccc(CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][Branch1] | C3CS(=O)(=O)c1ccc4cc1.Cc1ccc3cn1.C4(C)(C)C |
12786 | Cc1nnc(NC(=O)c2cncc(Br)c2)s1 | [C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][Ring1][#C] | c15cncc(Br)c1.Cc1nnc4s1.C35=O.N34 |
12787 | COC(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][C] | c16cccc7n1.c15ccc8cc1.C36=O.C47=O.C8(C)=O.CO3.N45 |
12788 | CCOC(=O)c1cccc(C(=O)Nc2nc3ccc(C)cc3s2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | c17nc2ccc(C)cc2s1.c18cccc9n1.C48=O.C59=O.CC6.O46.N57 |
12789 | CCOC(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][Ring1][S] | c17cccc8n1.c16ccc(Cl)cn1.C37=O.C48=O.CC5.O35.N46 |
12790 | CC(C)OC(=O)c1cccc(C(=O)Oc2ccc(F)cc2)n1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][S] | c17cccc8n1.c16ccc(F)cc1.CC5C.C37=O.C48=O.O35.O46 |
12792 | CCn1c2ccccc2c2nnc(-n3nc(C)cc3C)nc21 | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][Ring2][Ring1][Ring2] | n14c2ccccc2c2nnc5nc21.n15nc(C)cc1C.CC4 |
12793 | Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1 |
12794 | O=S(=O)(c1ccc(Cl)cc1)n1cnc2ccccc21 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=S(=O)(c1ccc(Cl)cc1)n1cnc2ccccc21 |
12795 | CCOC(=O)n1c(SCC(=O)N(CC)CC)nc2ccccc21 | [C][C][O][C][=Branch1][C][=O][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | C3(=O)n1c9nc2ccccc21.C8C4=O.N467.CC5.O35.S89.C6C.C7C |
12797 | COC(=O)COc1cc2occ(-c3csc(C)n3)c(=O)c2cc1C | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][O][C][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=N][C][=C][Ring1][P][C] | c16cc2occ7c(=O)c2cc1C.c17csc(C)n1.C4(=O)C5.CO4.O56 |
12798 | COc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Branch1][C][C][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2c(=O)c6c(C)oc2c1.c16ccc2c(c1)OCCO2.CO5 |
12799 | COc1ccc2c(=O)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c14ccc2c(=O)c6c5oc2c1.c16csc(C)n1.C5(F)(F)F.CO4 |
12800 | CC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c14ccc(S3(=O)=O)cc1.N13CCOCC1.CC4=O |
12801 | CC(C)OC(=O)c1cccc(C(=O)OC(C)C)n1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=N][Ring1][N] | c16cccc7n1.CC4C.C26=O.C37=O.C5(C)C.O24.O35 |
12802 | COC(=O)c1cccc(C(=O)Oc2ccc(C(C)=O)cc2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][C] | c16cccc7n1.c15ccc8cc1.C36=O.C47=O.C8(C)=O.CO3.O45 |
12803 | CCc1ccc(OC(=O)c2cccc(C(=O)OC)n2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc5cc1.c16cccc7n1.C36=O.C47=O.CC8.O35.O4C |
12804 | COC(=O)c1cccc(C(=O)Oc2ccc(F)cc2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][S] | c16cccc7n1.c15ccc(F)cc1.C36=O.C47=O.CO3.O45 |
12805 | COC(=O)c1cccc(C(=O)Oc2cccc(C)c2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][Ring1][S] | c16cccc7n1.c15cccc(C)c1.C36=O.C47=O.CO3.O45 |
12806 | COC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | c16cnc2ccccc2c1.c17cccc8n1.C47=O.C58=O.CO4.N56 |
12807 | COC(=O)c1cccc(C(=O)Nc2ccccn2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][#C] | c16cccc7n1.c15ccccn1.C36=O.C47=O.CO3.N45 |
12808 | O=c1oc(-c2cccnc2)nc2ccc(Br)cc12 | [O][=C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][P][Ring1][#Branch1] | O=c1oc3nc2ccc(Br)cc12.c13cccnc1 |
12809 | CCOC(=O)c1cccc(C(=O)Nc2ccc(F)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][S] | c17cccc8n1.c16ccc(F)cc1.C37=O.C48=O.CC5.O35.N46 |
12810 | CCOC(=O)c1cccc(C(=O)Oc2ccccc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C] | c17cccc8n1.c16ccccc1.C37=O.C48=O.CC5.O35.O46 |
12811 | CCOC(=O)c1cccc(C(=O)Oc2ccc(F)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][S] | c17cccc8n1.c16ccc(F)cc1.C37=O.C48=O.CC5.O35.O46 |
12812 | CC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c17ccc8cc1.c19cccc%10n1.CC4=O.C59=O.C3%10=O.C6(C)C.N47.N58.O36 |
12813 | COC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccccc16.c15ccc(F)cc1.C3(=O)C4.C27=O.CO2.N36.O45 |
12814 | Cc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.c17cccc8n1.C47=O.C38=O.C5(C)C.N46.O35 |
12815 | Cc1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc15.c17ccccc1.C34C7=O.c16ccco1.C26=O.N35.N24 |
12816 | O=C(NC(O)C(=O)c1ccc(F)cc1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14ccc(F)cc1.C3(O)C5=O.O=C24.N23 |
12817 | CC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc(S4(=O)=O)cc1.c16cccnc1.CC5=O.N34.C36 |
12818 | Cc1cc(C)n(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=Ring1][P] | Cc1cc(C)n(C3=O)n1.c14ccc(Cl)c(Cl)c1.N34 |
12819 | CCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O | [C][C][N][C][=Branch1][C][=O][C][=C][Branch1][O][N][=C][N][Ring1][Branch1][C][C][S][Ring1][Branch1][N][Branch1][C][C][C][Ring1][=C][=O] | n14c(=O)c2c(nc3n2CCS3)n(C)c1=O.CC4 |
12822 | COC(=O)c1c(NC(C)=O)sc(Cc2ccccc2)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C] | c16c5sc7c1C.c18ccccc1.C36=O.C4(C)=O.CO3.N45.C78 |
12824 | CCOC(=O)c1c2n(c3c(NCc4ccccc4)ncnc13)CCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][#Branch1][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][P][Ring1][=C][C][C][C][Ring2][Ring1][Ring1] | c19c2n(c3c8ncnc13)CCC2.c1%10ccccc1.C59=O.CC6.O56.N78.C7%10 |
12826 | CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | C17NC(=O)NC(C)=C1C3=O.c16ccc7cc1.C5(C)C.CC4.O46.O35 |
12827 | N#Cc1ccc(Oc2cccc(N)c2)cc1Oc1cccc(N)c1 | [N][#C][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=C][Ring1][=C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1] | N#Cc1ccc3cc15.c14cccc(N)c1.c16cccc(N)c1.O34.O56 |
12830 | Cc1nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2s1 | [C][C][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][P][S][Ring2][Ring1][Ring2] | Cc1nc2ccc5cc2s1.c16ccc(C#N)cc1.C46=O.N45 |
12835 | CC(C)(C)NS(=O)(=O)NCCc1ccncc1 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | N2S(=O)(=O)N3.c14ccncc1.CC2(C)C.C3C4 |
12836 | COc1cc(OC)c(-c2nc3cnccc3n2C)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][C][O][C] | c17nc2cnccc2n1C.c14cc5c7cc16.CO4.O5C.O6C |
12837 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][S][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c17ccc2nc6sc2c1.c18ccc(C#N)cc1.CC4=O.C58=O.N47.N56 |
12842 | O=C(CSc1nc2ccccc2[nH]1)Nc1ccccn1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16nc2ccccc2[nH]1.c15ccccn1.O=C3C4.S46.N35 |
12844 | C=CCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][=Branch2][S][C][C][C][Branch1][C][C][C][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3CC(C)C.C=CC4.S35 |
12845 | CC(=O)Nc1nc2ccc(NC(=O)C3CCCCC3)cc2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][S][Ring2][Ring1][C] | c16nc2ccc7cc2s1.C18CCCCC1.CC4=O.C58=O.N46.N57 |
12846 | O=C(CC(O)(c1ccccc1)c1ccccc1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C2CC45O.c14ccccc1.c15ccccc1.c13ccccc1.N23 |
12847 | CCC(=O)Nc1nnc(CCc2ccccc2)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | c14nnc5s1.c16ccccc1.CCC3=O.C5C6.N34 |
12848 | O=C(CSc1cccc2cccnc12)N1CCCCC1 | [O][=C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c15cccc2cccnc12.N13CCCCC1.O=C3C4.S45 |
12849 | CCCc1nnc(NC(=O)Nc2ccc(Br)cc2)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][S] | c16ccc(Br)cc1.c17nnc5s1.CCC7.C34=O.N35.N46 |
12850 | CC(C)(C)C(=O)Nc1nnc(-c2ccccc2)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O] | CC(C)(C)C3=O.c14nnc5s1.c15ccccc1.N34 |
12851 | CC(Oc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 | [C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c15ccc(F)cc1.CC4C3=O.O45.N36.C67 |
12852 | Cc1ccccc1OCC(=O)Nc1ccc2c(c1)OCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.Cc1ccccc15.C4C3=O.O45.N36 |
12853 | CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccn2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][#C] | S6(=O)(=O)c1cccc8c1.c17ccccn1.N456.C38=O.CC4.C5C.N37 |
12855 | CCS(=O)(=O)c1cccc2c(S(=O)(=O)CC)cccc12 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][=C][Ring1][#C][Ring1][O] | CCS(=O)(=O)c1cccc2c(S(=O)(=O)CC)cccc12 |
12856 | CS(=O)(=O)c1ccc2ccc(S(C)(=O)=O)cc2c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][Ring1][#Branch2][=C][Ring1][=C] | CS(=O)(=O)c1ccc2ccc(S(C)(=O)=O)cc2c1 |
12857 | Cc1cc(C(=O)NCc2ccccc2)c2ccccc2n1 | [C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc5c2ccccc2n1.c16ccccc1.C35=O.N34.C46 |
12858 | COc1ccc2c(c1OC)C(=O)OC2Nc1nccs1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1] | c13ccc2c(c14)C(=O)OC2N5.c15nccs1.CO3.O4C |
12859 | COc1ccc2c(c1OC)C(=O)OC2Nc1ccc(C(C)=O)cc1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2] | c13ccc2c(c14)C(=O)OC2N5.c15ccc6cc1.C6(C)=O.CO3.O4C |
12860 | NC(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | c14ccc5cc1.c15ncc6o1.c16ccccc1.NC4=O |
12861 | COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][Cl] | c16ccc2c(c1)OCCO2.c15ccc7cc1Cl.C47=O.CO5.N46 |
12863 | NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S] | NS(=O)(=O)c1cccc5c1.c16ccccc1.C35=O.N34.C46 |
12864 | COCc1cc(C)nc(Nc2ccccc2OC)c1C#N | [C][O][C][C][=C][C][Branch1][C][C][=N][C][Branch1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][S][C][#N] | c17cc(C)nc5c1C#N.c16ccccc14.CO3.C37.N56.O4C |
12867 | CCOC(=O)c1c(C)nc(-c2ccccc2)nc1N | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N] | c15c(C)nc6nc1N.c16ccccc1.C35=O.CC4.O34 |
12868 | N#Cc1ccccc1N=c1oc2ccccc2cc1C(N)=O | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][Branch1][C][N][=O] | N#Cc1ccccc1N=c1oc2ccccc2cc13.C3(N)=O |
12871 | COc1ccc2oc(=Nc3ccc(C(N)=O)cc3)c(C(N)=O)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][P][=N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c14ccc2oc(=Nc3ccc5cc3)c6cc2c1.C5(N)=O.C6(N)=O.CO4 |
12872 | Cc1nc(C)c2c(=O)n(-c3ccccc3)c(=O)[nH]c2n1 | [C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][Ring1][=C][=N][Ring2][Ring1][Ring1] | Cc1nc(C)c2c(=O)n4c(=O)[nH]c2n1.c14ccccc1 |
12874 | COc1ccc2cc(C(N)=O)c(=Nc3cccc(C(N)=O)c3)oc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][P][=N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c14ccc2cc5c(=Nc3cccc6c3)oc2c1.C5(N)=O.C6(N)=O.CO4 |
12875 | COc1ccc2oc(=O)c(C(=O)Nc3ccccc3F)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2oc(=O)c7cc2c1.c16ccccc1F.C47=O.CO5.N46 |
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