ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1926905 | Cc1oncc1C(=O)N1CCC2(CC1)CCN(CC(C)C)C2=O | [C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][O][=O] | N13CCC2(CC1)CCN5C2=O.Cc1oncc14.C5C(C)C.C34=O |
1926906 | O=C(c1ccncc1)N1CCC2(CC1)CCN(CC1CCCC1)C2=O | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][=N][=O] | N13CCC2(CC1)CCN5C2=O.c14ccncc1.C16CCCC1.O=C34.C56 |
1926907 | O=C(c1ccnnc1)N1CCC2(CC1)CCN(c1cncnc1)C2=O | [O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][=O] | N13CCC2(CC1)CCN5C2=O.c14ccnnc1.c15cncnc1.O=C34 |
1926909 | Cc1occc1C(=O)N1CCC2(CC1)CC(N1CCOCC1)CO2 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][O][Ring1][=N] | N13CCC2(CC1)CC4CO2.Cc1occc15.N14CCOCC1.C35=O |
1926910 | Cc1ccc(N2CCC3(CCC(CC(=O)N(C)C)CC3)CC2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Ring2][C][C][C][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N][C][C][Ring1][P][N][=N][Ring2][Ring1][#Branch1] | N15CCC2(CCC6CC2)CC1.Cc1ccc5nn1.C6C4=O.N4(C)C |
1926912 | Cn1cc(N2CCC3(CCN(C(=O)N4CCCC4)C3)C2=O)cn1 | [C][N][C][=C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Ring2][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][N][C][Ring1][S][=O][C][=N][Ring2][Ring1][=Branch1] | N17CCC2(CCN5C2)C1=O.Cn1cc7cn1.N16CCCC1.C56=O |
1926913 | CC(C)OCC1CCCC12CN(C(=O)Cc1ccccn1)CCO2 | [C][C][Branch1][C][C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][O][Ring1][#C] | C17CCCC12CN3CCO2.c16ccccn1.C3(=O)C6.CC4C.O45.C57 |
1926914 | Cc1cnc(N2CC(C(=O)N3CC=CC3)C3(CCOCC3)C2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][=C][N][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][Ring1][Branch1][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N15CC6C2(CCOCC2)C1.Cc1cnc5nc1.N14CC=CC1.C46=O |
1926915 | O=C(c1ccsc1)N1CCOCC2(CCC(Cn3cccn3)O2)C1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][O][C][C][Branch1][P][C][C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][O][Ring1][O][C][Ring1][P] | N14CCOCC2(CCC7O2)C1.c15ccsc1.n16cccn1.O=C45.C67 |
1926916 | c1cnc(N2CCOCC3(CCC(Cn4cncn4)O3)C2)nc1 | [C][=C][N][=C][Branch2][Ring1][N][N][C][C][O][C][C][Branch1][P][C][C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][Ring1][O][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N15CCOCC2(CCC7O2)C1.c1cnc5nc1.n16cncn1.C67 |
1926917 | CCc1cnc(N2CCOCC3(CCC(Cn4cncn4)O3)C2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][N][N][C][C][O][C][C][Branch1][P][C][C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][Ring1][O][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N15CCOCC2(CCC7O2)C1.c18cnc5nc1.n16cncn1.CC8.C67 |
1926918 | O=C(C1CCOC1)N1CCOCC2(CCC(Cn3cncn3)O2)C1 | [O][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][C][C][O][C][C][Branch1][P][C][C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][Ring1][O][C][Ring1][P] | N14CCOCC2(CCC7O2)C1.C15CCOC1.n16cncn1.O=C45.C67 |
1926919 | CCOCC1CCCC12CN(C(=O)c1ccncc1F)CCO2 | [C][C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][C][O][Ring1][#C] | C17CCCC12CN3CCO2.c16ccncc1F.C36=O.CC4.O45.C57 |
1926920 | NC(=O)N1CCC2(CC1)C(=O)N(Cc1ccccc1)c1ccccc12 | [N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | N13CCC2(CC1)C(=O)N(C4)c1ccccc12.c14ccccc1.NC3=O |
1926921 | CN1Cc2ccccc2CC2(CCN(c3ccc(C#N)cn3)CC2)C1=O | [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][=C][C][Ring2][Ring1][Branch2][=O] | CN1Cc2ccccc2CC2(CCN4CC2)C1=O.c14ccc(C#N)cn1 |
1926922 | CN1CC(c2ccccc2)C2(CCN(S(=O)(=O)N(C)C)C2)C1=O | [C][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][O][C][Ring2][Ring1][Branch1][=O] | CN1CC3C2(CCN(S(=O)(=O)N(C)C)C2)C1=O.c13ccccc1 |
1926923 | Cc1cnc(N2CC3CN(C(=O)c4cscn4)CC3C2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][N][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1] | N16CC2CN5CC2C1.Cc1cnc6nc1.c17cscn1.C57=O |
1926924 | COCCOC1CC2CN(C(=O)c3ccnnc3)CCN2C1 | [C][O][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] | C17CC2CN4CCN2C1.c18ccnnc1.C5C6.C48=O.CO5.O67 |
1926925 | Cc1ccc(C(=O)N2CCN3CC(Oc4cncnc4)CC3C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][C][C][Branch1][#Branch2][O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S][C][=C][Ring2][Ring1][Branch2] | N15CCN2CC6CC2C1.Cc1ccc8cc1.c17cncnc1.C58=O.O67 |
1926926 | Cc1cnc(N2CCN3CC(OCc4cccc(C)n4)CC3C2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][=C][N][C][C][N][C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][=C][C][Ring2][Ring1][C][N][=C][Ring2][Ring1][Branch2] | N17CCN2CC6CC2C1.Cc1cnc7nc1.c18cccc(C)n1.O56.C58 |
1926927 | Cc1cccc(COC2CC3CN(C(=O)c4ccco4)CCN3C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][O][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][N][Ring1][=N][C][Ring1][S][=N][Ring2][Ring1][Branch2] | C17CC2CN5CCN2C1.Cc1cccc9n1.c18ccco1.C58=O.C69.O67 |
1926928 | O=C1CC2C(CCN2C(=O)c2ccccn2)N1CC1CCOCC1 | [O][=C][C][C][C][Branch2][Ring1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][S][C][C][C][C][O][C][C][Ring1][=Branch1] | O=C1CC2C(CCN23)N15.c14ccccn1.C16CCOCC1.C34=O.C56 |
1926929 | O=C1CC2C(CCN2C(=O)c2cccs2)N1CC1CCOCC1 | [O][=C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#C][C][C][C][C][O][C][C][Ring1][=Branch1] | O=C1CC2C(CCN23)N15.C16CCOCC1.c14cccs1.C34=O.C56 |
1926930 | Cc1cnc(C(=O)N2CCC3C2CC(=O)N3Cc2cccnc2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch2] | N14CCC2C1CC(=O)N26.Cc1cnc5cn1.c17cccnc1.C45=O.C67 |
1926931 | Cc1ccoc1C(=O)N1CCC2C1CC(=O)N2Cc1cccnc1 | [C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | N13CCC2C1CC(=O)N25.Cc1ccoc14.c16cccnc1.C34=O.C56 |
1926933 | O=C(CC1CCCC1)N1CCC2C1CC(=O)N2c1ccsc1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][S][C][=Ring1][Branch1] | N13CCC2C1CC(=O)N25.C14CCCC1.c15ccsc1.O=C3C4 |
1926934 | Cn1cc(C(=O)N2CCC3C2CCN3S(C)(=O)=O)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][Ring2][Ring1][Ring1] | N14CCC2C1CCN25.Cn1cc6cn1.S5(C)(=O)=O.C46=O |
1926935 | COc1cc(N2CCC3C2CCN3c2ncccn2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][C][=N][Ring2][Ring1][Ring2] | N15CCC2C1CCN26.c14cc5ncn1.c16ncccn1.CO4 |
1926936 | COc1cc(N2CCC3C2CCN3C(=O)c2ccc[nH]2)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][NH1][Ring1][Branch1][=N][C][=N][Ring2][Ring1][Branch1] | N16CCC2C1CCN24.c15cc6ncn1.c17ccc[nH]1.C47=O.CO5 |
1926937 | Cc1ccc(N2CCC3C2CCN3Cc2cnn(C)c2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=N][Ring2][Ring1][Branch1] | N15CCC2C1CCN24.Cc1ccc5nn1.c16cnn(C)c1.C46 |
1926938 | Cc1ccc(N2CCC3C2CCN3c2ncc(F)cn2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][N][=N][Ring2][Ring1][Branch1] | N14CCC2C1CCN25.Cc1ccc4nn1.c15ncc(F)cn1 |
1926939 | Fc1cnc(N2CCC3C2CCN3c2nncs2)nc1 | [F][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][N][=C][S][Ring1][Branch1][N][=C][Ring2][Ring1][Ring1] | N14CCC2C1CCN25.Fc1cnc4nc1.c15nncs1 |
1926940 | CCc1cnc(N2CCC3C2CCN3c2nncs2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][N][=C][S][Ring1][Branch1][N][=C][Ring2][Ring1][Ring1] | N14CCC2C1CCN25.c16cnc4nc1.c15nncs1.CC6 |
1926941 | O=C(Cc1cccc(F)c1)N1CCC2C1CCN2c1nncs1 | [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][N][=C][S][Ring1][Branch1] | N13CCC2C1CCN24.c15cccc(F)c1.c14nncs1.O=C3C5 |
1926942 | O=S(=O)(c1ccccc1)N1CCC2C1CCN2c1nncs1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][N][=C][S][Ring1][Branch1] | O=S3(=O)c1ccccc1.N13CCC2C1CCN24.c14nncs1 |
1926943 | Cc1occc1C(=O)N1CCC2COC(CN3CCCC3=O)C2C1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][O][C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][Ring1][N][C][Ring1][S] | N14CCC2COC7C2C1.Cc1occc15.N16CCCC1=O.C45=O.C67 |
1926944 | O=C(c1cccs1)N1CCC2COC(CN3CCOCC3)C2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][C][Ring1][S] | N14CCC2COC7C2C1.N15CCOCC1.c16cccs1.O=C46.C57 |
1926945 | Cc1ccc(N2CCC3COC(CNc4ncccn4)C3C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][C][C][O][C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][C][Ring1][P][N][=N][Ring2][Ring1][#Branch1] | N16CCC2COC8C2C1.Cc1ccc6nn1.c17ncccn1.C58.N57 |
1926946 | CC(=O)N1C(Cn2cncn2)CC2CN(C(=O)NC3CC3)CCC21 | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][C][C][N][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][C][Ring1][N][Ring2][Ring1][Branch1] | N14C9CC2CN5CCC21.n18cncn1.CC4=O.C56=O.C17CC1.C89.N67 |
1926947 | CC(=O)N1C(Cn2cccn2)CC2CN(C(=O)c3ccoc3)CCC21 | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][=N][Ring2][Ring1][=Branch1] | N14C8CC2CN5CCC21.n17cccn1.c16ccoc1.CC4=O.C56=O.C78 |
1926948 | N#Cc1cccc(C(=O)N2CC(N3CCCC3=O)C3OCCCC32)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][N][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][=C][Ring2][Ring1][#Branch1] | N14CC6C2OCCCC21.N#Cc1cccc5c1.N16CCCC1=O.C45=O |
1926949 | COc1ncccc1CN1CC(n2cccn2)C2OCCCC21 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][=C] | N14CC6C2OCCCC21.c13ncccc15.n16cccn1.CO3.C45 |
1926950 | O=C(NC1CN(c2ncc(F)cn2)C2CCCOC12)c1cccnc1 | [O][=C][Branch2][Ring1][N][N][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][C][C][O][C][Ring1][S][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | C15CN4C2CCCOC12.c14ncc(F)cn1.c16cccnc1.O=C36.N35 |
1926951 | COCC1CCC2C(CCN2C(=O)c2ccc3[nH]ccc3c2)O1 | [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] | C17CCC2C(CCN24)O1.c16ccc2[nH]ccc2c1.C46=O.CO5.C57 |
1926953 | O=C1CCC2C(CCN2C(=O)c2ccc3[nH]ccc3c2)N1 | [O][=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][N][Ring2][Ring1][Ring2] | O=C1CCC2C(CCN24)N1.c15ccc2[nH]ccc2c1.C45=O |
1926954 | CN1C(=O)CCC2C1CCN2C(=O)c1ccc2[nH]ccc2c1 | [C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] | CN1C(=O)CCC2C1CCN23.c14ccc2[nH]ccc2c1.C34=O |
1926955 | Cn1cccc1C(=O)N1CCC2C1CCC(=O)N2CC1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][C][Ring1][Ring1] | N13CCC2C1CCC(=O)N25.Cn1cccc14.C34=O.C16CC1.C56 |
1926956 | O=C1CCC2C(CCN2C(=O)NCc2cccc(F)c2)N1CC1CC1 | [O][=C][C][C][C][C][Branch2][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring2][C][C][C][C][Ring1][Ring1] | O=C1CCC2C(CCN23)N16.c18cccc(F)c1.C34=O.C17CC1.N45.C58.C67 |
1926957 | O=C1CCC2C(CCN2c2ncccn2)N1CC1CCOCC1 | [O][=C][C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][N][Ring1][#C][C][C][C][C][O][C][C][Ring1][=Branch1] | O=C1CCC2C(CCN23)N14.c13ncccn1.C15CCOCC1.C45 |
1926960 | Cc1csc(NC(=O)C2CC3C(CCN3S(C)(=O)=O)O2)n1 | [C][C][=C][S][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][O][Ring1][N][=N][Ring2][Ring1][Ring2] | C17CC2C(CCN25)O1.Cc1csc6n1.S5(C)(=O)=O.C47=O.N46 |
1926961 | COc1ncccc1CN1CCC2OCCC2(C(=O)NC(C)C)C1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][O][C][C][C][Ring1][Branch1][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][#C] | N15CCC2OCCC27C1.c14ncccc18.C37=O.C6(C)C.CO4.C58.N36 |
1926962 | CN(C)C(=O)C12CCOC1CCN(S(C)(=O)=O)C2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][=N] | C125CCOC1CCN4C2.S4(C)(=O)=O.CN3C.C35=O |
1926963 | CCS(=O)(=O)N1CCC2OCCC2(C(=O)NC)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][C][C][Ring1][Branch1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Ring1][=N] | N14CCC2OCCC25C1.CCS4(=O)=O.C35=O.N3C |
1926964 | CS(=O)(=O)N1CCC2OCCC2(C(=O)NCc2ccccn2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][C][C][Ring1][Branch1][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | N15CCC2OCCC26C1.c17ccccn1.CS5(=O)=O.C36=O.N34.C47 |
1926966 | Cc1nnc(C2CC3OCCC3N(Cc3ccccn3)C2)o1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][C][C][C][O][C][C][C][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][S][O][Ring2][Ring1][Branch1] | C16CC2OCCC2N4C1.Cc1nnc6o1.c15ccccn1.C45 |
1926967 | COc1cc(N2CC(c3nnc(C)o3)CC3OCCC32)ncn1 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][Branch1][O][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][C][O][C][C][C][Ring1][Branch1][Ring1][#C][=N][C][=N][Ring2][Ring1][Branch1] | N15CC6CC2OCCC21.c14cc5ncn1.c16nnc(C)o1.CO4 |
1926968 | Cc1nnc(C2CC3OCCC3N(C(=O)c3ccoc3)C2)o1 | [C][C][=N][N][=C][Branch2][Ring1][O][C][C][C][O][C][C][C][Ring1][Branch1][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][S][O][Ring2][Ring1][Branch1] | C16CC2OCCC2N4C1.Cc1nnc6o1.c15ccoc1.C45=O |
1926969 | Cc1nnc(C2CC3OCCC3N(C(=O)c3ccoc3C)C2)o1 | [C][C][=N][N][=C][Branch2][Ring1][N][C][C][C][O][C][C][C][Ring1][Branch1][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][P][O][Ring2][Ring1][=Branch1] | C16CC2OCCC2N4C1.Cc1nnc6o1.c15ccoc1C.C45=O |
1926970 | CC(=O)N1CCC2OCCCC2(COCC(=O)N2CCCC2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][Ring1][=Branch1][Branch1][#C][C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring2] | N13CCC2OCCCC27C1.N14CCCC1.C6C4=O.CC3=O.C57.O56 |
1926971 | c1cc(COCC23CCCOC2CCN(c2ccncn2)C3)ccn1 | [C][=C][C][Branch2][Ring1][N][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring1][S][=C][C][=N][Ring2][Ring1][=Branch2] | C127CCCOC1CCN6C2.c1cc8ccn1.c16ccncn1.C48.O45.C57 |
1926973 | Cc1noc(C)c1CN1CC2CCCOC2C(NS(C)(=O)=O)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][C][O][C][Ring1][=Branch1][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#C] | N13CC5C2OCCCC2C1.Cc1noc(C)c16.S4(C)(=O)=O.C36.N45 |
1926975 | Cn1cc(CN2CC(NS(C)(=O)=O)C3OCCCC32)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][O][C][C][C][C][Ring1][=Branch1][Ring1][=C][C][=N][Ring2][Ring1][Ring2] | N14CC6C2OCCCC21.Cn1cc7cn1.S5(C)(=O)=O.C47.N56 |
1926976 | CN(Cc1cncnc1)C1CN(C(=O)C2CC2)C2CCCOC12 | [C][N][Branch1][#Branch2][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][C][O][C][Ring1][=C][Ring1][=Branch1] | C15CN3C2CCCOC12.c17cncnc1.CN45.C36=O.C16CC1.C47 |
1926977 | Cc1noc(C2COCC3CN(C(=O)c4cnoc4C)CC32)n1 | [C][C][=N][O][C][Branch2][Ring1][N][C][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][C][C][Ring1][=N][Ring1][P][=N][Ring2][Ring1][=Branch1] | C17COCC2CN5CC12.Cc1noc7n1.c16cnoc1C.C56=O |
1926978 | Cc1noc(C2COCC3CN(C(=O)c4c(C)noc4C)CC32)n1 | [C][C][=N][O][C][Branch2][Ring1][S][C][C][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1] | C17COCC2CN5CC12.c16c(C)noc1C.Cc1noc7n1.C56=O |
1926979 | CNC(=O)C1CCC2C(CCN2S(=O)(=O)N(C)C)O1 | [C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch2][Ring1][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][O][Ring1][#C] | C14CCC2C(CCN2S(=O)(=O)N(C)C)O1.C34=O.CN3 |
1926982 | c1cnn(CCCOC2CN(C3CCOCC3)C3CCCOC23)c1 | [C][C][=N][N][Branch2][Ring1][N][C][C][C][O][C][C][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][O][C][Ring1][#C][Ring1][=Branch1][C][=Ring2][Ring1][Branch2] | C15CN6C2CCCOC12.C16CCOCC1.c1cnn7c1.C7CC4.O45 |
1926983 | CCCS(=O)(=O)N1CCC2OC(C(=O)NC)CCC21 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][#Branch2][Ring1][=N] | N14CCC2OC5CCC21.CCCS4(=O)=O.C35=O.N3C |
1926984 | Cc1noc(C)c1CN1CCC2OC(C(=O)NC3CCCC3)CCC21 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][C][O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][=C][Ring1][P] | N15CCC2OC7CCC21.Cc1noc(C)c18.C16CCCC1.C47=O.C58.N46 |
1926985 | CS(=O)(=O)N1CCC2OC(C(=O)Nc3cnccn3)CCC21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][#C][Ring2][Ring1][C] | N15CCC2OC7CCC21.c16cnccn1.CS5(=O)=O.C47=O.N46 |
1926986 | Cc1ccc(N2CC3OCCC3C(C(=O)N3CCCC3)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][C][O][C][C][C][Ring1][Branch1][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][S][N][=N][Ring2][Ring1][=Branch1] | N15CC6C2CCOC2C1.Cc1ccc5nn1.N14CCCC1.C46=O |
1926987 | Cn1cc(CN2CC3OCCC3C(C(=O)NC3CC3)C2)cn1 | [C][N][C][=C][Branch2][Ring1][O][C][N][C][C][O][C][C][C][Ring1][Branch1][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][#C][C][=N][Ring2][Ring1][Branch1] | N15CC7C2CCOC2C1.Cn1cc8cn1.C47=O.C16CC1.C58.N46 |
1926988 | Cc1nnc(C2CC3OCCC3N(Cc3c(C)noc3C)C2)o1 | [C][C][=N][N][=C][Branch2][Ring1][N][C][C][C][O][C][C][C][Ring1][Branch1][N][Branch1][=N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][Ring1][P][O][Ring2][Ring1][=Branch1] | C16CC2OCCC2N4C1.c15c(C)noc1C.Cc1nnc6o1.C45 |
1926989 | COC1CCC2C1OCCN2C(=O)CC1=CCCCC1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][C][C][C][Ring1][=Branch1] | C14CCC2C1OCCN23.C3(=O)CC1=CCCCC1.CO4 |
1926990 | Cc1cccc(CN2CCOC3C(OCC(=O)N(C)C)CCC32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][N][C][C][O][C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][N][Ring1][S][=C][Ring2][Ring1][#Branch1] | N17CCOC2C6CCC21.Cc1cccc8c1.C5C4=O.N4(C)C.C78.O56 |
1926991 | Cc1cc(C(=O)N2CCOC3C(OCC4CC4)CCC32)c(C)[nH]1 | [C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][#Branch2][Ring1][=C][=C][Branch1][C][C][NH1][Ring2][Ring1][=Branch1] | N15CCOC2C7CCC21.Cc1cc8c(C)[nH]1.C58=O.C19CC1.O67.C69 |
1926993 | COc1ncccc1CN1CCOC2C(Oc3cccnc3)CCC21 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][N][Ring1][S] | N17CCOC2C5CCC21.c14ncccc18.c16cccnc1.CO4.C78.O56 |
1926994 | O=C(c1cccs1)N1CC(Oc2ccccn2)C2OCCCC21 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][S] | N13CC5C2OCCCC21.c14ccccn1.c16cccs1.O=C36.O45 |
1926995 | Cc1ccc(C(=O)N2CC(Oc3ccccn3)C3OCCCC32)s1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][S][S][Ring2][Ring1][#Branch1] | N14CC6C2OCCCC21.Cc1ccc7s1.c15ccccn1.C47=O.O56 |
1926997 | CN(C)C(=O)C1CC2CCN(c3ccncn3)CC2O1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][C][Ring1][N][O][Ring1][#C] | C16CC2CCN5CC2O1.c15ccncn1.CN4C.C46=O |
1926998 | Cc1nnc(C2CCOC3CCN(c4cccc(F)c4)CC32)o1 | [C][C][=N][N][=C][Branch2][Ring1][N][C][C][C][O][C][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=N][Ring1][P][O][Ring2][Ring1][=Branch1] | C16CCOC2CCN5CC12.c15cccc(F)c1.Cc1nnc6o1 |
1926999 | Cc1nnc(C2CCOC3CCN(C(=O)c4ccoc4)CC32)o1 | [C][C][=N][N][=C][Branch2][Ring1][N][C][C][C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][=N][Ring1][P][O][Ring2][Ring1][=Branch1] | C17CCOC2CCN5CC12.Cc1nnc7o1.c16ccoc1.C56=O |
1927000 | Cc1nnc(C2CCOC3CCN(C(=O)c4c(C)noc4C)CC32)o1 | [C][C][=N][N][=C][Branch2][Ring1][P][C][C][C][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][#C][Ring2][Ring1][Ring1][O][Ring2][Ring1][Branch2] | C17CCOC2CCN5CC12.c16c(C)noc1C.Cc1nnc7o1.C56=O |
1927001 | Cc1ccc(C(=O)N2CCC3OC(c4nc(C)no4)CC3C2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][O][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1] | N15CCC2OC7CC2C1.Cc1ccc6cn1.c17nc(C)no1.C56=O |
1927002 | CC1C(=O)NCC2CN(C(=O)N3CCCC3)CC21 | [C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][N][Ring1][P] | CC1C(=O)NCC2CN4CC21.N15CCCC1.C45=O |
1927003 | CCOC1C2CCC1N(Cc1c(C)noc1C)CCO2 | [C][C][O][C][C][C][C][C][Ring1][Branch1][N][Branch1][=N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][O][Ring1][S] | C14C2CCC1N5CCO2.c16c(C)noc1C.CC3.O34.C56 |
1927004 | c1cc(CN2CCOC3CCC2C3OCC2CC2)ccn1 | [C][=C][C][Branch2][Ring1][=Branch1][C][N][C][C][O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1][O][C][C][C][C][Ring1][Ring1][=C][C][=N][Ring2][Ring1][Branch1] | N16CCOC2CCC1C25.c1cc8ccn1.C17CC1.C68.O45.C47 |
1927005 | O=C(c1n[nH]c2c1CN(Cc1cccnc1)CC2)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch2][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c15n[nH]c2c1CN4CC2.c16cccnc1.N13CCOCC1.O=C35.C46 |
1927006 | Cc1cnc(N2CCc3[nH]nc(C(=O)N4CCNC(=O)C4)c3C2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][S][N][C][C][C][NH1][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=Ring1][=C][C][Ring2][Ring1][C][N][=C][Ring2][Ring1][Branch2] | N16CCc2[nH]nc7c2C1.Cc1cnc6nc1.N15CCNC(=O)C1.C57=O |
1927008 | COc1ncccc1CN1Cc2[nH]nc(C(=O)N(C)C)c2C1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][NH1][N][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Ring1][#Branch2][C][Ring1][=N] | N15Cc2[nH]nc6c2C1.c14ncccc17.C36=O.N3(C)C.CO4.C57 |
1927009 | CN(Cc1ccccn1)C(=O)c1n[nH]c2c1CN(S(C)(=O)=O)C2 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][=Branch2] | c16n[nH]c2c1CN5C2.c17ccccn1.S5(C)(=O)=O.CN34.C36=O.C47 |
1927010 | CN(C)C(=O)c1nn(C)c2c1CN(Cc1cccnc1)C2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N] | c15nn(C)c2c1CN4C2.c16cccnc1.CN3C.C35=O.C46 |
1927011 | CS(=O)(=O)N1Cc2ccnn2CC(C(=O)N2CCCC2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][P] | N14Cc2ccnn2CC5C1.N13CCCC1.CS4(=O)=O.C35=O |
1927012 | O=C(c1ccc[nH]1)N1Cc2ccnn2CC(COc2cccnc2)C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][C] | N13Cc2ccnn2CC7C1.c15cccnc1.c16ccc[nH]1.O=C36.C47.O45 |
1927013 | c1ccc(COCC2CN(c3ncccn3)Cc3ccnn3C2)nc1 | [C][=C][C][=C][Branch2][Ring1][N][C][O][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][Ring1][S][N][=C][Ring2][Ring1][=Branch2] | C18CN6Cc2ccnn2C1.c1ccc7nc1.c16ncccn1.C47.O45.C58 |
1927014 | COCC1CN(C(=O)c2ccnnc2)Cc2ncnn2C1 | [C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][=N][C][=N][N][Ring1][Branch1][C][Ring2][Ring1][C] | C16CN3Cc2ncnn2C1.c15ccnnc1.C35=O.CO4.C46 |
1927015 | Cc1nc(CN2CCc3c(COCC(C)C)cncc3C2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][N][C][C][C][=C][Branch1][=Branch2][C][O][C][C][Branch1][C][C][C][C][=N][C][=C][Ring1][N][C][Ring1][S][=C][S][Ring2][Ring1][=Branch1] | N16CCc2c8cncc2C1.Cc1nc7cs1.C5C(C)C.C67.C48.O45 |
1927016 | CC(C)NC(=O)N1CCc2c(COCc3cccnc3)cncc2C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1] | N15CCc2c9cncc2C1.c1%10cccnc1.CC8C.C45=O.N48.C69.O67.C7%10 |
1927018 | Cc1ccc(CN2CCc3c(CN4CCOCC4)cncc3C2)s1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=C][Ring1][=N][C][Ring1][P][S][Ring2][Ring1][#Branch1] | N15CCc2c8cncc2C1.Cc1ccc7s1.N16CCOCC1.C57.C68 |
1927019 | CS(=O)(=O)NCc1cncc2c1CCN(Cc1ccoc1)C2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][N] | c16cncc2c1CCN4C2.c17ccoc1.CS5(=O)=O.N35.C36.C47 |
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