ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1928834 | CCCCNc1cc(C(=O)N2CCCCC2)nc(C)n1 | [C][C][C][C][N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][#C] | c15cc6nc(C)n1.N13CCCCC1.CCCC4.C36=O.N45 |
1928836 | COCCNc1cc(C(=O)N2CCCCC2)nc(C)n1 | [C][O][C][C][N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][#C] | c16cc7nc(C)n1.N13CCCCC1.C4C5.C37=O.CO4.N56 |
1928837 | CCOCCCNc1cc(C(=O)N2CCCCC2)nc(C)n1 | [C][C][O][C][C][C][N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][#C] | c17cc8nc(C)n1.N13CCCCC1.C5CC6.C38=O.CC4.O45.N67 |
1928838 | COCCCNc1cc(C(=O)N2CCCCC2)nc(C)n1 | [C][O][C][C][C][N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][#C] | c16cc7nc(C)n1.N13CCCCC1.C4CC5.C37=O.CO4.N56 |
1928839 | CCC(C)Nc1cc(C(=O)N2CCCCC2)nc(C)n1 | [C][C][C][Branch1][C][C][N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][#C] | c15cc6nc(C)n1.N13CCCCC1.CCC4C.C36=O.N45 |
1928840 | Cc1nc(NCCc2ccccc2)cc(C(=O)N2CCCCC2)n1 | [C][C][=N][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | Cc1nc5cc6n1.c17ccccc1.N13CCCCC1.C4C7.C36=O.N45 |
1928841 | CNC(=O)C1CC2CN(C(=O)NCc3ccccc3)CC2N1C(C)=O | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][N][Ring2][Ring1][C][C][Branch1][C][C][=O] | C19CC2CN5CC2N17.c1%10ccccc1.C49=O.C56=O.C7(C)=O.CN4.N68.C8%10 |
1928842 | COCc1nc(N(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 | [C][O][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c17nc4ncc16.c15ccc(Cl)cc1.N4(C)C.C26=O.CO3.C37.N25 |
1928843 | Cc1nc(NCCc2ccc(F)cc2)cc(C(=O)N2CCCCC2)n1 | [C][C][=N][C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | Cc1nc5cc6n1.c17ccc(F)cc1.N13CCCCC1.C4C7.C36=O.N45 |
1928844 | CC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc21 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][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][Ring2][Ring1][Branch1] | CC1(C)CC(=O)Nc2ccc(S4(=O)=O)cc21.N14CCOCC1 |
1928845 | CN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CC1 | [C][N][C][C][N][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch1] | S4(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2.CN1CCN4CC1 |
1928846 | Cc1occc1C(=O)N1CC2CCCC(OCc3cccnc3)C2C1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][C][Ring1][P] | N14CC2CCCC6C2C1.Cc1occc17.c18cccnc1.C47=O.O56.C58 |
1928847 | CC1(C)CC(=O)Nc2ccc(NC(=O)c3cccnc3)cc21 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Branch1] | CC1(C)CC(=O)Nc2ccc5cc21.c16cccnc1.C46=O.N45 |
1928848 | CC1(C)CC(=O)Nc2ccc(NC(=O)COc3ccccc3)cc21 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Ring2][Ring1][#Branch1] | CC1(C)CC(=O)Nc2ccc7cc21.c16ccccc1.C4(=O)C5.N47.O56 |
1928849 | O=C(C1CCCO1)N1CC2CCCC(OCc3cccnc3)C2C1 | [O][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][N][C][C][C][C][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][C][Ring1][P] | N14CC2CCCC6C2C1.c18cccnc1.C17CCCO1.O=C47.O56.C58 |
1928850 | CN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | [C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][=Branch1] | CN1C(=O)CC(C)(C)c2cc(S4(=O)=O)ccc21.N14CCOCC1 |
1928851 | CCOC1CC2CN(C(=O)c3ccnnc3)CCN2C1 | [C][C][O][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][N][Ring1][=C][C][Ring1][P] | C16CC2CN4CCN2C1.c17ccnnc1.C47=O.CC5.O56 |
1928852 | COc1ccc(-c2nn(CC(=O)N3CCCC3)c(=O)cc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Ring1][#C][O][C][C][=C][Ring2][Ring1][#Branch1] | c18nn7c(=O)cc16.c15ccc8cc1.N14CCCC1.C7C4=O.CO5.O6C |
1928853 | CCOC1CC2CN(S(=O)(=O)c3cn(C)cn3)CCN2C1 | [C][C][O][C][C][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][C][N][Ring1][#C][C][Ring2][Ring1][C] | C15CC2CN6CCN2C1.S6(=O)(=O)c1cn(C)cn1.CC4.O45 |
1928854 | Cc1nn(C)c(C)c1NC(=O)CN1C(=O)CC(C)(C)c2ccccc21 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | C3(=O)CN1C(=O)CC(C)(C)c2ccccc21.Cc1nn(C)c(C)c14.N34 |
1928855 | CCn1cc(NC(=O)CN2C(=O)CC(C)(C)c3ccccc32)cn1 | [C][C][N][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=N][Ring2][Ring1][=Branch1] | C4(=O)CN1C(=O)CC(C)(C)c2ccccc21.n16cc5cn1.CC6.N45 |
1928856 | CC1CCCCN1C(=O)CN1C(=O)CC(C)(C)c2ccccc21 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | C3(=O)CN1C(=O)CC(C)(C)c2ccccc21.CC1CCCCN13 |
1928857 | COCCOC1CC2CN(C(=O)c3cnc(C)cn3)CCN2C1 | [C][O][C][C][O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][C][N][Ring1][#C][C][Ring2][Ring1][C] | C17CC2CN4CCN2C1.c18cnc(C)cn1.C5C6.C48=O.CO5.O67 |
1928858 | CC1CC(C)CN(C(=O)CN2C(=O)CC(C)(C)c3ccccc32)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][Ring2][Ring1][#Branch1] | C4(=O)CN1C(=O)CC(C)(C)c2ccccc21.CC1CC(C)CN4C1 |
1928859 | COCCOC1CC2CN(C(=O)c3cnccn3)CCN2C1 | [C][O][C][C][O][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][N][Ring1][=C][C][Ring1][P] | C17CC2CN4CCN2C1.c18cnccn1.C5C6.C48=O.CO5.O67 |
1928860 | CC1(C)CC(=O)N(CC(=O)N2CCCCCC2)c2ccccc21 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CC1(C)CC(=O)N(CC3=O)c2ccccc21.N13CCCCCC1 |
1928861 | C=CCOC1CC2CN(C(=O)c3ccc(F)cc3)CCN2C1 | [C][=C][C][O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][Ring1][#C][C][Ring2][Ring1][C] | C16CC2CN4CCN2C1.c17ccc(F)cc1.C=CC5.C47=O.O56 |
1928862 | C=CCOC1CC2CN(C(=O)c3cccc(F)c3)CCN2C1 | [C][=C][C][O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][N][Ring1][#C][C][Ring2][Ring1][C] | C16CC2CN4CCN2C1.c17cccc(F)c1.C=CC5.C47=O.O56 |
1928863 | C=CCOC1CC2CN(C(=O)c3cccc(Cl)c3)CCN2C1 | [C][=C][C][O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][N][Ring1][#C][C][Ring2][Ring1][C] | C16CC2CN4CCN2C1.c17cccc(Cl)c1.C=CC5.C47=O.O56 |
1928864 | C=CCOC1CC2CN(S(=O)(=O)c3cn(C)cn3)CCN2C1 | [C][=C][C][O][C][C][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][C][N][Ring1][#C][C][Ring2][Ring1][C] | C15CC2CN6CCN2C1.S6(=O)(=O)c1cn(C)cn1.C=CC4.O45 |
1928865 | COc1c(C(=O)Nc2nnc(C)s2)nnn1Cc1ccc(C)cc1 | [C][O][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][N][=N][N][Ring1][=C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14c6nnn17.c18ccc(C)cc1.c15nnc(C)s1.C36=O.CO4.N35.C78 |
1928866 | COc1c(C(=O)Nc2cc(C)nn2C)nnn1Cc1ccc(C)cc1 | [C][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][N][=N][N][Ring1][#C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14c6nnn17.c15cc(C)nn1C.c18ccc(C)cc1.C36=O.CO4.N35.C78 |
1928867 | COc1c(C(=O)NCc2cccnc2)nnn1Cc1ccc(C)cc1 | [C][O][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][N][Ring1][#C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14c6nnn17.c19ccc(C)cc1.c18cccnc1.C36=O.CO4.N35.C58.C79 |
1928868 | Cn1cccc1C(=O)N1CCN2CC(OCc3ccccc3)CC2C1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring1][P] | N14CCN2CC6CC2C1.Cn1cccc17.c18ccccc1.C47=O.O56.C58 |
1928869 | O=C(c1cnccn1)N1CCN2CC(OCc3ccccc3)CC2C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring1][P] | N14CCN2CC6CC2C1.c17cnccn1.c18ccccc1.O=C47.O56.C58 |
1928870 | COc1c(C(=O)Nc2nnc(C)s2)nnn1Cc1ccccc1 | [C][O][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][N][=N][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c6nnn17.c15nnc(C)s1.c18ccccc1.C36=O.CO4.N35.C78 |
1928871 | CCc1nnc(NC(=O)c2nnn(Cc3ccccc3)c2OC)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][O][C][S][Ring2][Ring1][=Branch1] | c17nnn8c15.c19nnc6s1.c1%10ccccc1.C47=O.CC9.N46.C8%10.O5C |
1928872 | COc1c(C(=O)Nc2cc(C)nn2C)nnn1Cc1ccccc1 | [C][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][N][=N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c6nnn17.c15cc(C)nn1C.c18ccccc1.C36=O.CO4.N35.C78 |
1928873 | CCn1nc(C)cc1NC(=O)c1nnn(Cc2ccccc2)c1OC | [C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][O][C] | n17nc(C)cc15.c16nnn8c14.c19ccccc1.C36=O.CC7.N35.C89.O4C |
1928874 | c1ccc(COC2CC3CN(c4ncccn4)CCN3C2)nc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][N][Ring1][N][C][Ring1][#C][N][=C][Ring2][Ring1][#Branch1] | C16CC2CN7CCN2C1.c1ccc8nc1.c17ncccn1.C58.O56 |
1928875 | Cc1cnc(N2CCN3CC(OCc4ccccn4)CC3C2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N17CCN2CC6CC2C1.Cc1cnc7nc1.c18ccccn1.O56.C58 |
1928876 | O=C(c1ccco1)N1CCN2CC(OCc3ccccn3)CC2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][C][Ring1][P] | N14CCN2CC6CC2C1.c18ccccn1.c17ccco1.O=C47.O56.C58 |
1928877 | COc1c(C(=O)NCc2cccnc2)nnn1Cc1ccccc1 | [C][O][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c6nnn17.c18cccnc1.c19ccccc1.C36=O.CO4.N35.C58.C79 |
1928878 | Cn1cc(CN2CCC3OC(C(=O)N4CCOCC4)CC32)cn1 | [C][N][C][=C][Branch2][Ring1][N][C][N][C][C][C][O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][Ring1][S][C][=N][Ring2][Ring1][=Branch1] | N16CCC2OC7CC21.Cn1cc8cn1.N15CCOCC1.C57=O.C68 |
1928879 | O=C(NCCCn1cccn1)c1ccc(Oc2ccccc2Cl)o1 | [O][=C][Branch1][N][N][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][=N] | c15ccccc1Cl.c17ccc4o1.n18cccn1.C6CC8.O=C37.N36.O45 |
1928880 | O=C(NCCCn1cccn1)c1ccc(Oc2cccc(F)c2)o1 | [O][=C][Branch1][N][N][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][=N] | c15cccc(F)c1.c17ccc4o1.n18cccn1.C6CC8.O=C37.N36.O45 |
1928881 | O=C(Cc1cccs1)N1CCC2C1CC(=O)N2CC1CC1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][Ring1][Ring1] | N13CCC2C1CC(=O)N24.c15cccs1.O=C3C5.C16CC1.C46 |
1928882 | COc1ccccc1Oc1ccc(C(=O)NC2CCCC2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][O][Ring1][=N] | c15ccccc16.c14ccc8o1.C17CCCC1.C38=O.CO5.O46.N37 |
1928883 | Cc1cccc(CN2C(=O)CC3C2CCN3C(=O)c2cc(C)on2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | N16C(=O)CC2C1CCN24.Cc1cccc7n1.c15cc(C)on1.C45=O.C67 |
1928885 | CS(=O)(=O)N1CCC2C1CCN2Cc1cccc(C#N)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2] | N14CCC2C1CCN23.c15cccc(C#N)c1.CS4(=O)=O.C35 |
1928886 | COc1cc(N2CCC3C2CCN3Cc2cccs2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][C][=C][C][=C][S][Ring1][Branch1][=N][C][=N][Ring2][Ring1][Ring2] | N16CCC2C1CCN25.c14cc6ncn1.c17cccs1.CO4.C57 |
1928887 | COc1cc(N2CCC3C2CCN3C(=O)Cc2cccs2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][=N][C][=N][Ring2][Ring1][=Branch1] | N16CCC2C1CCN24.c15cc6ncn1.c17cccs1.C4(=O)C7.CO5 |
1928888 | O=C(Cc1ccccc1)N1CCC2C1CCN2c1ncccn1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1] | N13CCC2C1CCN24.c15ccccc1.c14ncccn1.O=C3C5 |
1928889 | O=C(Cc1cccc(F)c1)N1CCC2C1CCN2c1ncccn1 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1] | N13CCC2C1CCN24.c15cccc(F)c1.c14ncccn1.O=C3C5 |
1928890 | COc1ccc(CC(=O)N2CCC3C2CCN3c2ncccn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | N14CCC2C1CCN26.c15ccc7cc1.c16ncccn1.C7C4=O.CO5 |
1928891 | Cc1ccc(CC(=O)N2CCC3C2CCN3c2ncccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | N14CCC2C1CCN25.Cc1ccc6cc1.c15ncccn1.C6C4=O |
1928892 | O=C(Cc1ccc(F)cc1)N1CCC2C1CCN2c1ncccn1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1] | N13CCC2C1CCN24.c15ccc(F)cc1.c14ncccn1.O=C3C5 |
1928893 | Cc1cnc(C(=O)N2CCC3C2CCN3c2ccc(C)nn2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch1] | N14CCC2C1CCN25.Cc1cnc6cn1.c15ccc(C)nn1.C46=O |
1928894 | Cc1ccc(N2CCC3C2CCN3C(=O)c2cnccn2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][N][=N][Ring2][Ring1][=Branch1] | N15CCC2C1CCN24.Cc1ccc5nn1.c16cnccn1.C46=O |
1928895 | O=C(c1ccnnc1)N1CCC2C1CCN2c1nncs1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][N][=C][S][Ring1][Branch1] | N13CCC2C1CCN24.c15ccnnc1.c14nncs1.O=C35 |
1928896 | COc1ccc(CC(=O)N2CCC3C2CCN3c2nncs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][N][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | N14CCC2C1CCN26.c15ccc7cc1.c16nncs1.C7C4=O.CO5 |
1928897 | O=C(NCc1cccnc1)N1CCC2C1CCN2c1nncs1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][N][=C][S][Ring1][Branch1] | N14CCC2C1CCN26.c17cccnc1.c16nncs1.O=C34.N35.C57 |
1928898 | COc1cccc(CC(=O)N2CCC3C2CCN3c2nncs2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][N][=C][S][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | N14CCC2C1CCN26.c15cccc7c1.c16nncs1.C7C4=O.CO5 |
1928899 | COC1CN(S(=O)(=O)c2ccccc2)C2COCC12 | [C][O][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][P][Ring1][Branch1] | C13CN4C2COCC12.S4(=O)(=O)c1ccccc1.CO3 |
1928900 | COC1CN(S(=O)(=O)c2cccc(C)c2)C2COCC12 | [C][O][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][Ring2][Ring1][C][Ring1][Branch1] | S4(=O)(=O)c1cccc(C)c1.C13CN4C2COCC12.CO3 |
1928902 | CCOC1CN(S(=O)(=O)c2ccccc2)C2COCC12 | [C][C][O][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][P][Ring1][Branch1] | C14CN5C2COCC12.S5(=O)(=O)c1ccccc1.CC3.O34 |
1928903 | CCOC1CN(S(=O)(=O)c2cccc(F)c2)C2COCC12 | [C][C][O][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][O][C][C][Ring2][Ring1][C][Ring1][Branch1] | S5(=O)(=O)c1cccc(F)c1.C14CN5C2COCC12.CC3.O34 |
1928905 | C=CCOC1CN(S(=O)(=O)c2ccccc2)C2COCC12 | [C][=C][C][O][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][P][Ring1][Branch1] | C14CN5C2COCC12.S5(=O)(=O)c1ccccc1.C=CC3.O34 |
1928906 | c1cncc(CN2CC(OCC3CC3)C3COCC32)c1 | [C][=C][N][=C][C][Branch2][Ring1][#Branch1][C][N][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][O][C][C][Ring1][Branch1][Ring1][=N][=C][Ring2][Ring1][Ring2] | N16CC5C2COCC21.c1cncc8c1.C17CC1.C68.O45.C47 |
1928907 | O=C(c1ccoc1)N1CC(OCC2CC2)C2COCC21 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][O][C][C][Ring1][Branch1][Ring1][=N] | N13CC5C2COCC21.c16ccoc1.O=C36.C17CC1.O45.C47 |
1928908 | O=C(c1ccccn1)N1CC(OCC2CC2)C2COCC21 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][O][C][C][Ring1][Branch1][Ring1][=N] | N13CC5C2COCC21.c16ccccn1.O=C36.C17CC1.O45.C47 |
1928909 | c1cncc(COC2CN(C3CCOC3)C3COCC23)c1 | [C][=C][N][=C][C][Branch2][Ring1][Branch2][C][O][C][C][N][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][C][C][O][C][C][Ring1][=N][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | C15CN6C2COCC12.c1cncc7c1.C16CCOC1.C47.O45 |
1928910 | Cc1nc(COC2CN(C(=O)c3cccn3C)C3COCC23)cs1 | [C][C][=N][C][Branch2][Ring1][=N][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][O][C][C][Ring1][S][Ring1][Branch1][=C][S][Ring2][Ring1][#Branch1] | C16CN4C2COCC12.Cc1nc8cs1.c17cccn1C.C47=O.C58.O56 |
1928911 | Cc1nc(COC2CN(C(=O)c3ccc[nH]3)C3COCC23)cs1 | [C][C][=N][C][Branch2][Ring1][N][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][C][O][C][C][Ring1][#C][Ring1][Branch1][=C][S][Ring2][Ring1][=Branch1] | C16CN4C2COCC12.Cc1nc8cs1.c17ccc[nH]1.C47=O.C58.O56 |
1928912 | O=C(c1cscn1)N1CC(OCc2ccccn2)C2COCC21 | [O][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][O][C][C][Ring1][Branch1][Ring1][S] | N13CC5C2COCC21.c17ccccn1.c16cscn1.O=C36.O45.C47 |
1928913 | O=C(NC1CN(Cc2cccs2)C2COCC12)C1CCC1 | [O][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][O][C][C][Ring1][=C][Ring1][Branch1][C][C][C][C][Ring1][Ring2] | C15CN4C2COCC12.c17cccs1.C16CCC1.O=C36.N35.C47 |
1928914 | Cc1cc(C(=O)N2CCC3C(COC3CN3CCOCC3)C2)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][O][C][Ring1][Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S][=N][O][Ring2][Ring1][#Branch1] | N14CCC2C(COC27)C1.Cc1cc6no1.N15CCOCC1.C46=O.C57 |
1928915 | CS(=O)(=O)N1CCC2C(COC2CNC(=O)c2cnccn2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring2][C][O][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | N15CCC2C(COC27)C1.c16cnccn1.CS5(=O)=O.C36=O.C47.N34 |
1928916 | O=C(c1ccsc1)N1CCC2C(COC2CNc2ncccn2)C1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][C][Branch1][S][C][O][C][Ring1][Branch1][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][P] | N13CCC2C(COC27)C1.c15ncccn1.c16ccsc1.O=C36.C47.N45 |
1928917 | O=C(c1ccnnc1)N1CCC2C(COC2CNc2ncccn2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][S][C][O][C][Ring1][Branch1][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][P] | N13CCC2C(COC27)C1.c16ccnnc1.c15ncccn1.O=C36.C47.N45 |
1928918 | O=C1CCCN1C1CN(Cc2nccs2)C2CCCOC21 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][C][C][O][C][Ring1][=Branch1][Ring1][#C] | C15CN3C2CCCOC12.O=C1CCCN15.c14nccs1.C34 |
1928919 | O=C1CCCN1C1CN(Cc2ccc(F)cc2)C2CCCOC21 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][O][C][Ring1][=Branch1][Ring1][P] | C15CN3C2CCCOC12.c14ccc(F)cc1.O=C1CCCN15.C34 |
1928920 | N#Cc1cccc(CN2CC(N3CCCC3=O)C3OCCCC32)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][O][C][C][C][C][Ring1][=Branch1][Ring1][#C][=C][Ring2][Ring1][=Branch1] | N14CC6C2OCCCC21.N#Cc1cccc5c1.N16CCCC1=O.C45 |
1928921 | Cc1ccoc1C(=O)N1CC(N2CCCC2=O)C2OCCCC21 | [C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][O][C][C][C][C][Ring1][=Branch1][Ring1][#C] | N13CC5C2OCCCC21.Cc1ccoc14.N15CCCC1=O.C34=O |
1928922 | O=C1CCCN1C1CN(Cc2cccc(F)c2)C2CCCOC21 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][O][C][Ring1][=Branch1][Ring1][P] | C15CN3C2CCCOC12.c14cccc(F)c1.O=C1CCCN15.C34 |
1928923 | c1csc(CN2CC(N3CCOCC3)C3OCCCC32)n1 | [C][=C][S][C][Branch2][Ring1][=Branch2][C][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][#C][=N][Ring2][Ring1][Branch1] | N14CC5C2OCCCC21.N15CCOCC1.c1csc6n1.C46 |
1928924 | Cc1ccc(C)n1C1CN(Cc2cnn(C)c2)C2CCCOC21 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][C][O][C][Ring1][=Branch1][Ring1][S] | C15CN3C2CCCOC12.Cc1ccc(C)n15.c14cnn(C)c1.C34 |
1928925 | CN(C)C(=O)NC1CN(S(C)(=O)=O)C2CCCOC12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][C][O][C][Ring1][=N][Ring1][=Branch1] | C16CN5C2CCCOC12.S5(C)(=O)=O.CN3C.C34=O.N46 |
1928926 | CC(=O)N1CC(NS(C)(=O)=O)C2OCCCC21 | [C][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][O][C][C][C][C][Ring1][=Branch1][Ring1][=C] | N13CC5C2OCCCC21.S4(C)(=O)=O.CC3=O.N45 |
1928927 | CC(=O)NCC(=O)N1CC(NS(C)(=O)=O)C2OCCCC21 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][O][C][C][C][C][Ring1][=Branch1][Ring1][=C] | N14CC7C2OCCCC21.C5C4=O.S6(C)(=O)=O.CC3=O.N35.N67 |
1928928 | COCCC(=O)N1CC(NS(C)(=O)=O)C2OCCCC21 | [C][O][C][C][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][O][C][C][C][C][Ring1][=Branch1][Ring1][=C] | N13CC6C2OCCCC21.C4CC3=O.S5(C)(=O)=O.CO4.N56 |
1928929 | CC(C)NC(=O)N1CC(NS(C)(=O)=O)C2OCCCC21 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][O][C][C][C][C][Ring1][=Branch1][Ring1][=C] | N14CC7C2OCCCC21.S6(C)(=O)=O.CC5C.C34=O.N35.N67 |
1928930 | Cn1cc(C(=O)NC2CN(C3CCOC3)C3CCCOC23)cn1 | [C][N][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][C][C][C][C][O][C][Ring1][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch1] | C15CN6C2CCCOC12.Cn1cc7cn1.C16CCOC1.C47=O.N45 |
1928931 | O=C(NC1CN(Cc2ccoc2)C2CCCOC12)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][C][C][O][C][Ring1][#C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | C15CN4C2CCCOC12.c16cccnc1.c17ccoc1.O=C36.N35.C47 |
1928932 | CN(Cc1cccnc1)C1CN(C(=O)CC2CC2)C2CCCOC12 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C][C][C][C][O][C][Ring1][#C][Ring1][=Branch1] | C15CN3C2CCCOC12.c17cccnc1.C3(=O)C6.CN45.C16CC1.C47 |
1928934 | CCOCC1CCC2C(CCN2C(=O)c2ccc3[nH]ccc3c2)O1 | [C][C][O][C][C][C][C][C][C][Branch2][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][O][Ring2][Ring1][Ring2] | C18CCC2C(CCN24)O1.c17ccc2[nH]ccc2c1.C47=O.CC5.O56.C68 |
1928936 | Cc1nc(COCC2CCC3C(CCN3c3ncccn3)O2)cs1 | [C][C][=N][C][Branch2][Ring1][O][C][O][C][C][C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][O][Ring1][#C][=C][S][Ring2][Ring1][#Branch1] | C17CCC2C(CCN26)O1.Cc1nc8cs1.c16ncccn1.C48.O45.C57 |
1928937 | Cc1nc(COCC2CCC3C(CCN3C(=O)C3CC3)O2)cs1 | [C][C][=N][C][Branch2][Ring1][N][C][O][C][C][C][C][C][C][Branch1][#C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][O][Ring1][=C][=C][S][Ring2][Ring1][=Branch1] | C18CCC2C(CCN24)O1.Cc1nc9cs1.C47=O.C17CC1.C59.O56.C68 |
1928938 | COCC(=O)N1CCC2OC(COCc3csc(C)n3)CCC21 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][=C][C][O][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][C][Ring1][#C][Ring2][Ring1][C] | N14CCC2OC8CCC21.c19csc(C)n1.C5C4=O.CO5.C68.O67.C79 |
1928939 | Cc1nc(COCC2CCC3C(CCN3S(C)(=O)=O)O2)cs1 | [C][C][=N][C][Branch2][Ring1][O][C][O][C][C][C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][O][Ring1][=N][=C][S][Ring2][Ring1][Branch1] | C17CCC2C(CCN26)O1.Cc1nc8cs1.S6(C)(=O)=O.C48.O45.C57 |
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