SMILES stringlengths 16 101 | Deep SMILES stringlengths 14 104 | SELFIES stringlengths 66 296 | SAFE stringlengths 19 118 | Group SELFIES stringlengths 66 302 |
|---|---|---|---|---|
C[C@@H](N)CN(C)C(=O)NCc1ccc(C(N)=O)o1 | C[C@@H]N)CNC)C=O)NCccccCN)=O))o5 | [C][C@@H1][Branch1][C][N][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][O][Ring1][Branch2] | c17ccc6o1.C[C@@H](N)C4.N24C.C23=O.C6(N)=O.N35.C57 | [C][CH1][Branch][N][pop][C][N][Branch][C][pop][C][=Branch][=O][pop][N][C][C][=C][C][=C][Branch][C][Branch][N][pop][=O][pop][O][Ring1][O] |
Cc1ncncc1C(=O)N1CCO[C@@H](CNCCO)C1 | Ccncncc6C=O)NCCO[C@@H]CNCCO)))))C6 | [C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch1][=Branch1][C][N][C][C][O][C][Ring1][O] | Cc1ncncc15.N12CCO[C@@H]6C1.C25=O.C4CO.C36.N34 | [C][C][=N][C][=N][C][=C][Branch][C][=Branch][=O][pop][N][C][C][O][CH1][Branch][C][N][C][C][O][pop][C][Ring1][=C][pop][Ring1][=Branch] |
C[C@@H]1CCO[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O | C[C@@H]CCO[C@@H]5C=O)NCCN[C@@H]CCC=O)NC6=O | [C][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C@@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O] | [C@@H]15CCC(=O)NC1=O.C[C@@H]1CCO[C@@H]16.C26=O.C3C4.N23.N45 | [C][CH1][C][C][O][CH1][Branch][C][=Branch][=O][pop][N][C][C][N][CH1][C][C][C][=Branch][=O][pop][N][C][=Branch][=O][pop][Ring1][#Branch][pop][Ring1][Branch] |
CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(C(=O)C3CC3)CC2(C)C)C1 | CC=O)NCC[C@@]C)C=O)N[C@@H]CCNC=O)CCC3))))CC6C)C)))))))))C5 | [C][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][Branch1][C][C][C][C][Ring2][Ring1][=Branch1] | [C@@H]17CCN6CC1(C)C.N14CC[C@]8(C)C1.CC4=O.C58=O.C69=O.C19CC1.N57 | [C][C][=Branch][=O][pop][N][C][C][C][Branch][C][pop][Branch][C][=Branch][=O][pop][N][CH1][C][C][N][Branch][C][=Branch][=O][pop][C][C][C][Ring1][Ring1][pop][C][C][Branch][C][pop][Branch][C][pop][Ring1][=C][pop][C][Ring2][Ring1][N] |
C[C@@H]1CN(C)C[C@@H]1C(=O)N1C[C@H](F)C[C@H]1C(N)=O | C[C@@H]CNC)C[C@@H]5C=O)NC[C@H]F)C[C@H]5CN)=O | [C][C@@H1][C][N][Branch1][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][Branch1][C][N][=O] | C[C@@H]1CN(C)C[C@@H]14.N12C[C@H](F)C[C@H]13.C24=O.C3(N)=O | [C][CH1][C][N][Branch][C][pop][C][CH1][Branch][C][=Branch][=O][pop][N][C][CH1][Branch][F][pop][C][CH1][Branch][C][Branch][N][pop][=O][pop][Ring1][=Branch][pop][Ring1][=Branch] |
Cc1cc(CN2CC[C@@H](N3CCCCC3)C2)ns1 | CcccCNCC[C@@H]NCCCCC6))))))C5))))))ns5 | [C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][C][C@@H1][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O][=N][S][Ring1][P] | Cc1cc6ns1.N14CC[C@@H]5C1.N15CCCCC1.C46 | [C][C][=C][C][Branch][C][N][C][C][CH1][Branch][N][C][C][C][C][C][Ring1][=Branch][pop][C][Ring1][=C][pop][=N][S][Ring2][Ring1][Ring2] |
Cc1nc2c(c(C)c1CNC(=O)[C@@H]1CNCCO1)c(=O)[nH]n2C | CcncccC)c6CNC=O)[C@@H]CNCCO6)))))))))))c=O)[nH]n5C | [C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][N][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][NH1][N][Ring2][Ring1][Ring1][C] | Cc1nc2c(c(C)c16)c(=O)[nH]n2C.[C@@H]15CNCCO1.C35=O.C46.N34 | [C][C][=N][C][=C][Branch][C][Branch][C][pop][=C][Branch][C][N][C][=Branch][=O][pop][CH1][C][N][C][C][O][Ring1][=Branch][pop][Ring1][#Branch][pop][C][=Branch][=O][pop][N][N][Branch][C][pop][Ring2][Ring1][=Branch] |
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@H]1CNOC1 | CCC)C)OC=O)NCCC[C@H]5C=O)O[C@H]CNOC5 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][C][N][O][C][Ring1][Branch1] | N14CCC[C@H]17.[C@H]16CNOC1.CC5(C)C.C24=O.C37=O.O25.O36 | [C][C][Branch][C][pop][Branch][C][pop][O][C][=Branch][=O][pop][N][C][C][C][CH1][Branch][C][=Branch][=O][pop][O][CH1][C][N][O][C][Ring1][Branch][pop][Ring1][Branch] |
C#C[C@H](C)NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 | C#C[C@H]C)NC=O)NC)[C@@H]CCNSC)=O)=O))C5 | [C][#C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][=Branch2] | [C@@H]16CCN5C1.C#C[C@@H]4C.S5(C)(=O)=O.C23=O.N36C.N24 | [C][#C][CH1][Branch][C][pop][N][C][=Branch][=O][pop][N][Branch][C][pop][CH1][C][C][N][Branch][S][Branch][C][pop][=Branch][=O][pop][=O][pop][C][Ring1][N] |
Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)Cc2ccccn2)cc1 | CccccS=O)=O)C[C@@H]C)N[C@@H]C)Ccccccn6))))))))))))cc6 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S(=O)(=O)C[C@H]3C)cc1.c15ccccn1.[C@H]4(C)C5.N34 | [C][C][=C][C][=C][Branch][S][=Branch][=O][pop][=Branch][=O][pop][C][CH1][Branch][C][pop][N][CH1][Branch][C][pop][C][C][=C][C][=C][C][=N][Ring1][=Branch][pop][C][=C][Ring2][Ring1][N] |
CNC(=O)CN1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 | CNC=O)CNCC[C@@H]NC)C=O)CNC=O)CNC5=O)))))))))C5 | [C][N][C][=Branch1][C][=O][C][N][C][C][C@@H1][Branch2][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][C][Ring1][P] | N17C(=O)CNC1=O.N15CC[C@@H]6C1.C3(=O)C5.C4(=O)C7.N46C.CN3 | [C][N][C][=Branch][=O][pop][C][N][C][C][CH1][Branch][N][Branch][C][pop][C][=Branch][=O][pop][C][N][C][=Branch][=O][pop][C][N][C][=Branch][=O][pop][Ring1][=Branch][pop][C][Ring2][Ring1][Ring2] |
C=CCNC(=O)[C@@H](C)NC[C@@H](C)CNC(=O)c1cnn[nH]1 | C=CCNC=O)[C@@H]C)NC[C@@H]C)CNC=O)ccnn[nH]5 | [C][=C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=N][NH1][Ring1][Branch1] | C2(=O)[C@H]5C.C6[C@@H](C)C7.c18cnn[nH]1.C=CC4.C38=O.N24.N56.N37 | [C][=C][C][N][C][=Branch][=O][pop][CH1][Branch][C][pop][N][C][CH1][Branch][C][pop][C][N][C][=Branch][=O][pop][C][=C][N][=N][N][Ring1][Branch] |
O=C(COC(=O)c1csc([C@@H]2CCCO2)n1)NCC1CCC1 | O=CCOC=O)ccsc[C@@H]CCCO5)))))n5))))))))NCCCCC4 | [O][=C][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][Branch2][C@@H1][C][C][C][O][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][C][C][C][Ring1][Ring2] | c17csc9n1.[C@@H]19CCCO1.O=C4C5.C18CCC1.C37=O.O35.N46.C68 | [O][=C][Branch][C][O][C][=Branch][=O][pop][C][=C][S][C][Branch][CH1][C][C][C][O][Ring1][Branch][pop][=N][Ring1][=N][pop][N][C][C][C][C][C][Ring1][Ring2] |
O=C1CCN(Cc2cccc3sccc23)C[C@@H]1F | O=CCCNCcccccsccc95))))))))))C[C@@H]6F | [O][=C][C][C][N][Branch1][#C][C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C@@H1][Ring1][S][F] | c15cccc2sccc12.O=C1CCN4C[C@@H]1F.C45 | [O][=C][C][C][N][Branch][C][C][=C][C][=C][C][S][C][=C][C][Ring1][N][=Ring1][Branch][pop][C][CH1][Branch][F][pop][Ring2][Ring1][Ring1] |
O=C(NC1CN(C(=O)C2=COCCC2)C1)c1cc2c(s1)CCCC2 | O=CNCCNC=O)C=COCCC6)))))))C4)))))ccccs5)CCCC6 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][O][C][C][C][Ring1][=Branch1][C][Ring1][N][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c16cc2c(s1)CCCC2.C4(=O)C1=COCCC1.C15CN4C1.O=C36.N35 | [O][=C][Branch][N][C][C][N][Branch][C][=Branch][=O][pop][C][=C][O][C][C][C][Ring1][=Branch][pop][C][Ring1][#C][pop][C][=C][C][=C][Branch][S][Ring1][Branch][pop][C][C][C][C][Ring1][#Branch] |
CCc1cccnc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 | CCccccnc6C=O)O[C@@H]C)C=O)Ncccccc6)OCO5 | [C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c18cccnc17.[C@H]5(C)C4=O.C37=O.CC8.O35.N46 | [C][C][C][=C][C][=C][N][=C][Branch][C][=Branch][=O][pop][O][CH1][Branch][C][pop][C][=Branch][=O][pop][N][C][=C][C][=C][C][=Branch][=C][Ring1][=Branch][pop][O][C][O][Ring1][=Branch][pop][Ring1][=Branch] |
CCN(C(=O)Cc1ncc[nH]1)C1CN(C(=O)[C@H]2CC23CC3)C1 | CCNC=O)Ccncc[nH]5)))))))CCNC=O)[C@H]CC3CC3))))))C4 | [C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=N][C][=C][NH1][Ring1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][Ring1][Ring1][C][Ring1][O] | c19ncc[nH]1.C17CN5C1.[C@H]18CC12CC2.C4(=O)C9.N467.C58=O.CC6 | [C][C][N][Branch][C][=Branch][=O][pop][C][C][=N][C][=C][N][Ring1][Branch][pop][C][C][N][Branch][C][=Branch][=O][pop][CH1][C][C][Branch][C][C][Ring1][Ring1][pop][Ring1][Ring1][pop][C][Ring1][=C] |
CC(C)n1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCCN(C)C2=O)n1 | CCC)ncccC=O)NC[C@@H]O)CN[C@H]CCCNC)C6=O)))))))))))))n5 | [C][C][Branch1][C][C][N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][N][C@H1][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=N][Ring2][Ring1][Branch1] | [C@H]16CCCN(C)C1=O.n18ccc7n1.C4[C@@H](O)C5.CC8C.C37=O.N34.N56 | [C][C][Branch][C][pop][N][C][=C][C][Branch][C][=Branch][=O][pop][N][C][CH1][Branch][O][pop][C][N][CH1][C][C][C][N][Branch][C][pop][C][=Branch][=O][pop][Ring1][#Branch][pop][=N][Ring2][Ring1][O] |
Cc1c(C(=O)N2C[C@H](O)[C@H](NC(=O)Cn3ncnn3)C2)nnn1C | CccC=O)NC[C@H]O)[C@H]NC=O)Cnncnn5))))))))C5))))))nnn5C | [C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][N][=C][N][=N][Ring1][Branch1][C][Ring1][#C][N][=N][N][Ring2][Ring1][=Branch1][C] | Cc1c7nnn1C.N14C[C@@H]6[C@@H](O)C1.n18ncnn1.C5(=O)C8.C47=O.N56 | [C][C][=C][Branch][C][=Branch][=O][pop][N][C][CH1][Branch][O][pop][CH1][Branch][N][C][=Branch][=O][pop][C][N][N][=C][N][=N][Ring1][Branch][pop][C][Ring2][Ring1][C][pop][N][=N][N][Branch][C][pop][Ring2][Ring1][N] |
CC[C@H](C)C(=O)N1CC[C@H]2CN(CC3CC(C)(C)C3)C[C@H]21 | CC[C@H]C)C=O)NCC[C@H]CNCCCCC)C)C4)))))C[C@H]58 | [C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][=C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C@H1][Ring1][N][Ring1][#C] | N14CC[C@H]2CN5C[C@H]21.CC[C@H](C)C4=O.C16CC(C)(C)C1.C56 | [C][C][CH1][Branch][C][pop][C][=Branch][=O][pop][N][C][C][CH1][C][N][Branch][C][C][C][C][Branch][C][pop][Branch][C][pop][C][Ring1][=Branch][pop][C][CH1][Ring2][Ring1][C][Ring1][#C] |
Cc1cnc(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)s1 | CccncCNC=O)cccc-cnn[nH]n5)))))nc6)))))))))s5 | [C][C][=C][N][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][N][=C][Ring1][O][S][Ring2][Ring1][Ring2] | c16ccc8nc1.Cc1cnc7s1.c18nn[nH]n1.C46=O.C57.N45 | [C][C][=C][N][=C][Branch][C][N][C][=Branch][=O][pop][C][=C][C][=C][Branch][C][N][=N][N][N][=Ring1][Branch][pop][N][=C][Ring1][=C][pop][S][Ring2][Ring1][#Branch] |
O=C(Cc1cccnc1)N[C@H]1CCN(c2cc(-n3ccnc3)ncn2)C1 | O=CCccccnc6)))))))N[C@H]CCNccc-nccnc5)))))ncn6))))))C5 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C@H1][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][C][=N][Ring1][O][C][Ring1][S] | c15cc8ncn1.c17cccnc1.[C@H]16CCN5C1.n18ccnc1.O=C4C7.N46 | [O][=C][Branch][C][C][=C][C][=C][N][=C][Ring1][=Branch][pop][N][CH1][C][C][N][Branch][C][=C][C][Branch][N][C][=C][N][=C][Ring1][Branch][pop][=N][C][=N][Ring1][=C][pop][C][Ring2][Ring1][Ring1] |
COCC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO | COCC=O)N[C@@H]C)C=O)N[C@H]C[C@H]CC[C@@H]6N5CCO | [C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C][C][O] | [C@H]18C[C@H]2CC[C@@H]1N27.[C@H]6(C)C4=O.C5C3=O.C7CO.CO5.N36.N48 | [C][O][C][C][=Branch][=O][pop][N][CH1][Branch][C][pop][C][=Branch][=O][pop][N][CH1][C][CH1][C][C][CH1][Branch][N][Branch][C][C][O][pop][Ring1][Branch][pop][Ring1][=Branch] |
CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 | CCC=O)NCCCC[C@@H]6C=O)NCC[C@H]OCC=O)N[C@@H]6C%10 | [C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][O][C][C][=Branch1][C][=O][N][C@@H1][Ring1][#Branch1][C][Ring1][O] | N14CC[C@H]2OCC(=O)N[C@@H]2C1.N13CCCC[C@@H]15.CCC3=O.C45=O | [C][C][C][=Branch][=O][pop][N][C][C][C][C][CH1][Branch][C][=Branch][=O][pop][N][C][C][CH1][O][C][C][=Branch][=O][pop][N][CH1][Branch][C][Ring1][=C][pop][Ring1][#Branch][pop][Ring1][=Branch] |
CCC[C@H]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cccc(F)n2)C1 | CCC[C@H]CCC[C@H]5C=O)N[C@H]C[C@H]NcccccF)n6)))))))C4 | [C][C][C][C@H1][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][C][Ring1][N] | c14cccc(F)n1.[C@H]18CCC[C@H]17.[C@H]15C[C@H]6C1.CCC8.C37=O.N35.N46 | [C][C][C][CH1][C][C][C][CH1][Branch][C][=Branch][=O][pop][N][CH1][C][CH1][Branch][N][C][=C][C][=C][C][Branch][F][pop][=N][Ring1][#Branch][pop][C][Ring1][#C][pop][Ring1][Branch] |
COC[C@@H](O)CNCCCNC(=O)c1nnn(C)c1C | COC[C@@H]O)CNCCCNC=O)cnnnC)c5C | [C][O][C][C@@H1][Branch1][C][O][C][N][C][C][C][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C] | c17nnn(C)c1C.C3[C@@H](O)C4.C5CC6.C27=O.CO3.N45.N26 | [C][O][C][CH1][Branch][O][pop][C][N][C][C][C][N][C][=Branch][=O][pop][C][N][=N][N][Branch][C][pop][C][Branch][C][pop][=Ring1][=Branch] |
O=C(N[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCO1 | O=CN[C@@H]cccccc6))))))CF)F)F))))[C@@H]CCCO5 | [O][=C][Branch2][Ring1][Branch1][N][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C@@H1][C][C][C][O][Ring1][Branch1] | [C@H]35C(F)(F)F.c15ccccc1.[C@@H]14CCCO1.O=C24.N23 | [O][=C][Branch][N][CH1][Branch][C][=C][C][=C][C][=C][Ring1][=Branch][pop][C][Branch][F][pop][Branch][F][pop][F][pop][CH1][C][C][C][O][Ring1][Branch] |
C[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1ccc(F)cc1 | C[C@H]NC=O)ccnCCCCCC6))))))nn5)))))))ccccF)cc6 | [C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.c15cn7nn1.C17CCCCC1.C[C@H]46.C35=O.N34 | [C][CH1][Branch][N][C][=Branch][=O][pop][C][=C][N][Branch][C][C][C][C][C][C][Ring1][=Branch][pop][N][=N][Ring1][=C][pop][C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch] |
CC[C@@H]1NCC[C@@H]1C(=O)N[C@H](C)c1ccsc1 | CC[C@@H]NCC[C@@H]5C=O)N[C@H]C)cccsc5 | [C][C][C@@H1][N][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1] | [C@@H]15NCC[C@@H]14.c16ccsc1.C24=O.[C@H]36C.CC5.N23 | [C][C][CH1][N][C][C][CH1][Branch][C][=Branch][=O][pop][N][CH1][Branch][C][pop][C][C][=C][S][C][=Ring1][Branch][pop][Ring1][Branch] |
CN(CC(C)(C)CO)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 | CNCCC)C)CO))))C=O)Nccnn-ccccCl)cc6))))))c5 | [C][N][Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N] | c17ccc(Cl)cc1.C5C(C)(C)CO.c16cnn7c1.CN35.C34=O.N46 | [C][N][Branch][C][C][Branch][C][pop][Branch][C][pop][C][O][pop][C][=Branch][=O][pop][N][C][C][=N][N][Branch][C][=C][C][=C][Branch][Cl][pop][C][=C][Ring1][#Branch][pop][C][=Ring1][#C] |
C[C@@H]1CC[C@@H](CN(C)c2ccc(F)c(Cl)c2)O1 | C[C@@H]CC[C@@H]CNC)ccccF)cCl)c6))))))))O5 | [C][C@@H1][C][C][C@@H1][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][O][Ring1][S] | c14ccc(F)c(Cl)c1.C[C@@H]1CC[C@@H]5O1.N34C.C35 | [C][CH1][C][C][CH1][Branch][C][N][Branch][C][pop][C][=C][C][=C][Branch][F][pop][C][Branch][Cl][pop][=C][Ring1][O][pop][O][Ring2][Ring1][Ring1] |
CC(C)Cn1cc(C(=O)N(C)[C@@H](C)CNC(=O)C(C)C)cn1 | CCC)CnccC=O)NC)[C@@H]C)CNC=O)CC)C))))))))cn5 | [C][C][Branch1][C][C][C][N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=N][Ring2][Ring1][C] | n17cc6cn1.C3(=O)C(C)C.CC(C)C7.[C@H]4(C)C5.C26=O.N24C.N35 | [C][C][Branch][C][pop][C][N][C][=C][Branch][C][=Branch][=O][pop][N][Branch][C][pop][CH1][Branch][C][pop][C][N][C][=Branch][=O][pop][C][Branch][C][pop][C][pop][C][=N][Ring2][Ring1][Branch] |
C[C@@H](C(=O)N1CC2(CCN(C[C@@H]3CCOC3)C2)C1)c1cccs1 | C[C@@H]C=O)NCCCCNC[C@@H]CCOC5))))))C5))))C4)))))ccccs5 | [C][C@@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][C@@H1][C][C][O][C][Ring1][Branch1][C][Ring1][O][C][Ring1][=C][C][=C][C][=C][S][Ring1][Branch1] | N14CC2(CCN5C2)C1.C[C@H]6C4=O.[C@@H]17CCOC1.c16cccs1.C57 | [C][CH1][Branch][C][=Branch][=O][pop][N][C][C][Branch][C][C][N][Branch][C][CH1][C][C][O][C][Ring1][Branch][pop][C][Ring1][=C][pop][C][Ring1][P][pop][C][=C][C][=C][S][Ring1][Branch] |
C[C@@]1(F)CNCCN(C(=O)CCSc2ccc(F)cc2)C1 | C[C@@]F)CNCCNC=O)CCSccccF)cc6))))))))))C7 | [C][C@@][Branch1][C][F][C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2] | C[C@@]1(F)CNCCN3C1.c15ccc(F)cc1.C3(=O)CC4.S45 | [C][C][Branch][F][pop][C][N][C][C][N][Branch][C][=Branch][=O][pop][C][C][S][C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch][pop][C][Ring2][Ring1][#Branch] |
Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnc2O)C1 | Ccnn[nH]c5C=O)N[C@H]C[C@H]NC=O)Cncnnc5O)))))))))C4 | [C][C][N][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][=N][N][=C][Ring1][Branch1][O][C][Ring1][=C] | Cc1nn[nH]c17.n18cnnc1O.[C@H]15C[C@H]6C1.C4(=O)C8.C37=O.N35.N46 | [C][C][N][=N][N][C][Branch][C][=Branch][=O][pop][N][CH1][C][CH1][Branch][N][C][=Branch][=O][pop][C][N][C][=N][N][=C][Branch][O][pop][Ring1][Branch][pop][C][Ring1][P][pop][=Ring1][Branch] |
CSc1c(F)cc(NC(=O)C(=O)NCCC(C)C)cc1F | CSccF)ccNC=O)C=O)NCCCC)C))))))))cc6F | [C][S][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][F] | c16c(F)cc5cc1F.C2(=O)C3=O.C4CC(C)C.CS6.N25.N34 | [C][S][C][=C][Branch][F][pop][C][=C][Branch][N][C][=Branch][=O][pop][C][=Branch][=O][pop][N][C][C][C][Branch][C][pop][C][pop][C][=C][Branch][F][pop][Ring2][Ring1][Branch] |
Cc1cnc(NC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)s1 | CccncNC=O)C=O)NC[C@H]C[C@@]3CO))C6)))))))))s5 | [C][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@H1][C][C@@][Ring1][Ring1][Branch1][Ring1][C][O][C][Ring1][Branch2][S][Ring2][Ring1][C] | N15C[C@H]2C[C@@]27C1.Cc1cnc6s1.C4(=O)C5=O.N46.C7O | [C][C][=C][N][=C][Branch][N][C][=Branch][=O][pop][C][=Branch][=O][pop][N][C][CH1][C][C][Branch][C][O][pop][Branch][C][Ring1][O][pop][Ring1][Ring1][pop][S][Ring2][Ring1][Branch] |
Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2cc3c([nH]2)CCCC3)c1 | Ccccc[N+]=O)[O-]))cNCCNC=O)cccc[nH]5)CCCC6)))))))))))))c6 | [C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2] | Cc1ccc([N+](=O)[O-])c7c1.c18cc2c([nH]1)CCCC2.C5C6.C48=O.N57.N46 | [C][C][=C][C][=C][Branch][NH0+1][=Branch][=O][pop][OH0-1][pop][C][Branch][N][C][C][N][C][=Branch][=O][pop][C][=C][C][=C][Branch][N][Ring1][Branch][pop][C][C][C][C][Ring1][#Branch][pop][=C][Ring2][Ring1][=C] |
COCCn1cc(C(=O)Nc2nc(C)no2)nn1 | COCCnccC=O)NcncC)no5)))))))nn5 | [C][O][C][C][N][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][N][=N][Ring1][=C] | n17cc6nn1.c15nc(C)no1.C4C7.C36=O.CO4.N35 | [C][O][C][C][N][C][=C][Branch][C][=Branch][=O][pop][N][C][=N][C][Branch][C][pop][=N][O][Ring1][=Branch][pop][N][=N][Ring1][P] |
Cc1cc(C)nc(NCCC[C@H](C)NC(=O)c2cc[nH]c2C)n1 | CcccC)ncNCCC[C@H]C)NC=O)ccc[nH]c5C)))))))))))))n6 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)nc6n1.C4CC[C@@H]5C.c17cc[nH]c1C.C37=O.N46.N35 | [C][C][=C][C][Branch][C][pop][=N][C][Branch][N][C][C][C][CH1][Branch][C][pop][N][C][=Branch][=O][pop][C][C][=C][N][C][Branch][C][pop][=Ring1][Branch][pop][=N][Ring2][Ring1][N] |
CCS(=O)(=O)NCCNCCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C | CCS=O)=O)NCCNCCNC=O)CCNC=O)[C@@H]C[C@@H]3C | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C] | CCS9(=O)=O.C2(=O)CC8.[C@@H]1%10C[C@@H]1C.C4C5.C6C7.C3%10=O.N49.N56.N27.N38 | [C][C][S][=Branch][=O][pop][=Branch][=O][pop][N][C][C][N][C][C][N][C][=Branch][=O][pop][C][C][N][C][=Branch][=O][pop][CH1][C][CH1][Branch][C][pop][Ring1][Ring1] |
CCCc1nc(C)c(C(=O)N[C@@H]2CCc3c[nH]nc3C2)o1 | CCCcncC)cC=O)N[C@@H]CCcc[nH]nc5C9)))))))))))o5 | [C][C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][NH1][N][=C][Ring1][Branch1][C][Ring1][=Branch2][O][Ring2][Ring1][C] | [C@@H]15CCc2c[nH]nc2C1.c17nc(C)c6o1.CCC7.C46=O.N45 | [C][C][C][C][=N][C][Branch][C][pop][=C][Branch][C][=Branch][=O][pop][N][CH1][C][C][C][=C][N][N][=C][Branch][C][Ring1][N][pop][Ring1][Branch][pop][O][Ring2][Ring1][Branch] |
CC[C@@H]1CCC[C@H](CN2C[C@@H](CO)OC[C@H]2C)C1 | CC[C@@H]CCC[C@H]CNC[C@@H]CO))OC[C@H]6C))))))))C6 | [C][C][C@@H1][C][C][C][C@H1][Branch1][#C][C][N][C][C@@H1][Branch1][Ring1][C][O][O][C][C@H1][Ring1][Branch2][C][C][Ring1][S] | N13C[C@@H]4OC[C@H]1C.[C@@H]15CCC[C@H]6C1.CC5.C36.C4O | [C][C][CH1][C][C][C][CH1][Branch][C][N][C][CH1][Branch][C][O][pop][O][C][CH1][Branch][C][pop][Ring1][O][pop][C][Ring2][Ring1][Ring1] |
Cc1ncc(S(N)(=O)=O)cc1C(=O)NC[C@](C)(O)CN(C)C | CcnccSN)=O)=O))cc6C=O)NC[C@]C)O)CNC)C | [C][C][=N][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][C][O][C][N][Branch1][C][C][C] | Cc1ncc(S(N)(=O)=O)cc15.C3[C@](C)(O)C4.C25=O.N4(C)C.N23 | [C][C][=N][C][=C][Branch][S][Branch][N][pop][=Branch][=O][pop][=O][pop][C][=C][Branch][C][=Branch][=O][pop][N][C][C][Branch][C][pop][Branch][O][pop][C][N][Branch][C][pop][C][pop][Ring1][=N] |
Oc1cc(NC[C@@H](O)COc2ccc(F)cc2)c(F)cc1Cl | OcccNC[C@@H]O)COccccF)cc6)))))))))))cF)cc6Cl | [O][C][=C][C][Branch2][Ring1][Ring2][N][C][C@@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring2][Cl] | Oc1cc6c(F)cc1Cl.c14ccc(F)cc1.C5[C@@H](O)C3.N56.O34 | [O][C][=C][C][Branch][N][C][CH1][Branch][O][pop][C][O][C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch][pop][=C][Branch][F][pop][C][=C][Branch][Cl][pop][Ring2][Ring1][#Branch] |
CCO[C@@H]1C[C@H](N(C)C[C@H]2CCCN2C)C12CCCCC2 | CCO[C@@H]C[C@H]NC)C[C@H]CCCN5C))))))))C4CCCCC6 | [C][C][O][C@@H1][C][C@H1][Branch1][=C][N][Branch1][C][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][C][Ring1][=N][C][C][C][C][C][Ring1][=Branch1] | [C@@H]14C[C@H]6C12CCCCC2.[C@H]17CCCN1C.N56C.CC3.O34.C57 | [C][C][O][CH1][C][CH1][Branch][N][Branch][C][pop][C][CH1][C][C][C][N][Branch][C][pop][Ring1][Branch][pop][C][Branch][C][C][C][C][C][Ring1][=Branch][pop][Ring1][S] |
CN(CC1(O)CCCC1)C(=O)C(=O)NCCOC(F)(F)F | CNCCO)CCCC5))))))C=O)C=O)NCCOCF)F)F | [C][N][Branch1][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][F][Branch1][C][F][F] | C17(O)CCCC1.C2(=O)C3=O.O4C(F)(F)F.CN25.C6C4.C57.N36 | [C][N][Branch][C][C][Branch][O][pop][C][C][C][C][Ring1][=Branch][pop][C][=Branch][=O][pop][C][=Branch][=O][pop][N][C][C][O][C][Branch][F][pop][Branch][F][pop][F] |
CC(=O)N[C@@H](CN[C@H]1CCc2c(F)cccc21)C1CCCC1 | CC=O)N[C@@H]CN[C@H]CCccF)cccc69)))))))))))CCCCC5 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring1][C][N][C@H1][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][C][C][C][Ring1][Branch1] | N5[C@H]1CCc2c(F)cccc21.C16CCCC1.[C@@H]46C5.CC3=O.N34 | [C][C][=Branch][=O][pop][N][CH1][Branch][C][N][CH1][C][C][C][=C][Branch][F][pop][C][=C][C][=C][Ring1][=N][Ring1][#Branch][pop][C][C][C][C][C][Ring1][Branch] |
Cc1nc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c(C)o1 | CcncC=O)NCCC[C@H]CNC=O)[C@H][C@@H]COC[C@@H]56)))))))))C6)))))))cC)o5 | [C][C][=N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C@H1][C@@H1][C][O][C][C@@H1][Ring1][Branch1][Ring1][=Branch1][C][Ring1][S][=C][Branch1][C][C][O][Ring2][Ring1][Branch2] | Cc1nc8c(C)o1.N15CCC[C@H]%10C1.[C@@H]19[C@H]2COC[C@@H]12.C58=O.C69=O.C7%10.N67 | [C][C][=N][C][Branch][C][=Branch][=O][pop][N][C][C][C][CH1][Branch][C][N][C][=Branch][=O][pop][CH1][CH1][C][O][C][CH1][Ring1][=Branch][Ring1][Branch][pop][C][Ring2][Ring1][Ring1][pop][=C][Branch][C][pop][O][Ring2][Ring1][=C] |
Cc1nsc(NCCNC(=O)[C@@H]2CCc3nnnn3CC2)n1 | CcnscNCCNC=O)[C@@H]CCcnnnn5CC%10)))))))))))))))n5 | [C][C][=N][S][C][Branch2][Ring1][#Branch1][N][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1] | [C@@H]18CCc2nnnn2CC1.Cc1nsc7n1.C5C6.C48=O.N57.N46 | [C][C][=N][S][C][Branch][N][C][C][N][C][=Branch][=O][pop][CH1][C][C][C][=N][N][=N][N][Branch][C][C][Ring1][=N][pop][Ring1][Branch][pop][=N][Ring2][Ring1][O] |
Cn1c(O)ncc(C(=O)N2CCC[C@H]2CN[C@@H]2CCCNC2=O)c1=O | CncO)nccC=O)NCCC[C@H]5CN[C@@H]CCCNC6=O)))))))))))))))c6=O | [C][N][C][Branch1][C][O][=N][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][C][Ring2][Ring1][#Branch1][=O] | Cn1c(O)ncc6c1=O.[C@@H]15CCCNC1=O.N13CCC[C@H]17.C36=O.C47.N45 | [C][N][C][Branch][O][pop][=N][C][=C][Branch][C][=Branch][=O][pop][N][C][C][C][CH1][Branch][C][N][CH1][C][C][C][N][C][=Branch][=O][pop][Ring1][=Branch][pop][Ring1][Branch][pop][C][=Branch][=O][pop][Ring2][Ring1][=N] |
CN(C)c1cc(C(=O)N2C[C@@H]3CC[C@H](N)[C@@H]3C2)nc2ccccc12 | CNC)cccC=O)NC[C@@H]CC[C@H]N)[C@@H]5C8)))))))))ncccccc%106 | [C][N][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Branch1][C][N][C@@H1][Ring1][=Branch1][C][Ring1][=Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c15cc6nc2ccccc12.N14C[C@@H]2CC[C@H](N)[C@@H]2C1.CN5C.C46=O | [C][N][Branch][C][pop][C][=C][C][Branch][C][=Branch][=O][pop][N][C][CH1][C][C][CH1][Branch][N][pop][CH1][Branch][C][Ring1][N][pop][Ring1][=Branch][pop][=N][C][=C][C][=C][C][=C][Ring2][Ring1][O][Ring1][=Branch] |
CCc1cnc(C)nc1N[C@H](C(N)=O)[C@@H](C)CC | CCccncC)nc6N[C@H]CN)=O))[C@@H]C)CC | [C][C][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C] | c14cnc(C)nc13.[C@@H]2(C(N)=O)[C@@H](C)CC.CC4.N23 | [C][C][C][=C][N][=C][Branch][C][pop][N][=C][Branch][N][CH1][Branch][C][Branch][N][pop][=O][pop][CH1][Branch][C][pop][C][C][pop][Ring1][#Branch] |
CC[C@H]1CO[C@@H](C)CN1C(=O)C(=O)NC[C@@H]1C[C@@H]1C(=O)O | CC[C@H]CO[C@@H]C)CN6C=O)C=O)NC[C@@H]C[C@@H]3C=O)O | [C][C][C@H1][C][O][C@@H1][Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][O] | [C@H]16CO[C@@H](C)CN12.C2(=O)C3=O.[C@@H]17C[C@@H]15.C5(=O)O.CC6.N34.C47 | [C][C][CH1][C][O][CH1][Branch][C][pop][C][N][Branch][C][=Branch][=O][pop][C][=Branch][=O][pop][N][C][CH1][C][CH1][Branch][C][=Branch][=O][pop][O][pop][Ring1][Ring1][pop][Ring1][#Branch] |
CCOc1cc(N[C@@H](CO)[C@H]2CCOC2)nc(C)n1 | CCOcccN[C@@H]CO))[C@H]CCOC5)))))))ncC)n6 | [C][C][O][C][=C][C][Branch1][=C][N][C@@H1][Branch1][Ring1][C][O][C@H1][C][C][O][C][Ring1][Branch1][=N][C][Branch1][C][C][=N][Ring1][S] | c14cc6nc(C)n1.[C@H]17CCOC1.[C@@H]57CO.CC3.O34.N56 | [C][C][O][C][=C][C][Branch][N][CH1][Branch][C][O][pop][CH1][C][C][O][C][Ring1][Branch][pop][=N][C][Branch][C][pop][=N][Ring2][Ring1][Ring1] |
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 | CCC)C)OC=O)NC[C@@H][C@H]C5)[C@H]3NC=O)NC[C@H]C[C@H]CC[C@H]6C5 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1] | N14C[C@@H]2[C@@H]9[C@@H]2C1.[C@H]1%10C[C@H]2CC[C@H]1C2.CC7(C)C.C34=O.C56=O.O37.N59.N68.C8%10 | [C][C][Branch][C][pop][Branch][C][pop][O][C][=Branch][=O][pop][N][C][CH1][CH1][Branch][C][Ring1][Branch][pop][CH1][Branch][N][C][=Branch][=O][pop][N][C][CH1][C][CH1][C][C][CH1][Branch][C][Ring1][Branch][pop][Ring1][=Branch][pop][Ring1][Ring2] |
NC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc[nH]2)CC1 | NC[C@H]N)C=O)NCCCC[C@@H]6CCCNC=O)ccnc[nH]5))))))CC6 | [N][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][NH1][Ring1][Branch1][C][C][Ring1][=N] | N13CCCC[C@@H]16.C16CCN4CC1.NC[C@H](N)C3=O.c15cnc[nH]1.C45=O | [N][C][CH1][Branch][N][pop][C][=Branch][=O][pop][N][C][C][C][C][CH1][Branch][C][C][C][N][Branch][C][=Branch][=O][pop][C][=C][N][=C][N][Ring1][Branch][pop][C][C][Ring1][S][pop][Ring1][=Branch] |
CNC(=O)CCN(C)[C@H](CO)c1ccc(OC)cc1 | CNC=O)CCNC)[C@H]CO))ccccOC))cc6 | [C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C@H1][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c16ccc3cc1.C2(=O)CC4.[C@H]56CO.N45C.CN2.O3C | [C][N][C][=Branch][=O][pop][C][C][N][Branch][C][pop][CH1][Branch][C][O][pop][C][=C][C][=C][Branch][O][C][pop][C][=C][Ring1][O] |
Cc1nc([C@H]2COCCN2CCOc2ccccc2C#N)no1 | Ccnc[C@H]COCCN6CCOcccccc6C#N)))))))))))))))))no5 | [C][C][=N][C][Branch2][Ring1][=Branch1][C@H1][C][O][C][C][N][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][O][Ring2][Ring1][=Branch1] | c14ccccc1C#N.[C@H]16COCCN15.Cc1nc6no1.C5C3.O34 | [C][C][=N][C][Branch][CH1][C][O][C][C][N][Branch][C][C][O][C][=C][C][=C][C][=C][Branch][C][#N][pop][Ring1][=Branch][pop][Ring1][=Branch][pop][=N][O][Ring2][Ring1][N] |
Cc1csc([C@H]2COCCN2C(=O)CCC(C)(C)C)n1 | Cccsc[C@H]COCCN6C=O)CCCC)C)C)))))))))))n5 | [C][C][=C][S][C][Branch2][Ring1][#Branch1][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring1] | C3(=O)CCC(C)(C)C.[C@H]14COCCN13.Cc1csc4n1 | [C][C][=C][S][C][Branch][CH1][C][O][C][C][N][Branch][C][=Branch][=O][pop][C][C][C][Branch][C][pop][Branch][C][pop][C][pop][Ring1][=Branch][pop][=N][Ring2][Ring1][=Branch] |
CC(C)(C)CCN1CC2(CC[C@@H](CNC(=O)C3CCOCC3)O2)C1 | CCC)C)CCNCCCC[C@@H]CNC=O)CCCOCC6)))))))))O5))))C4 | [C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][C][Branch2][Ring1][#Branch1][C][C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][O][Ring1][#C][C][Ring2][Ring1][C] | N15CC2(CC[C@@H]8O2)C1.CC(C)(C)CC5.C17CCOCC1.C47=O.C68.N46 | [C][C][Branch][C][pop][Branch][C][pop][C][C][N][C][C][Branch][C][C][CH1][Branch][C][N][C][=Branch][=O][pop][C][C][C][O][C][C][Ring1][=Branch][pop][O][Ring2][Ring1][C][pop][C][Ring2][Ring1][Branch] |
CCCC(=O)N1C[C@H]2C[C@@H]3CN(C(=O)c4cnn(C)c4)C[C@]2(C1)O3 | CCCC=O)NC[C@H]C[C@@H]CNC=O)ccnnC)c5))))))C[C@]7C%10)O6 | [C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C@][Ring1][#C][Branch1][Branch1][C][Ring2][Ring1][C][O][Ring1][#C] | N15C[C@H]2C[C@@H]3CN6C[C@]2(C1)O3.c17cnn(C)c1.CCCC5=O.C67=O | [C][C][C][C][=Branch][=O][pop][N][C][CH1][C][CH1][C][N][Branch][C][=Branch][=O][pop][C][C][=N][N][Branch][C][pop][C][=Ring1][=Branch][pop][C][C][Branch][C][Ring2][Ring1][Branch][pop][Branch][O][Ring2][Ring1][C][pop][Ring2][Ring1][C] |
CC(C)C1(C(=O)N2CCC[C@@H](N(C)C(=O)c3ccoc3)C2)CC1 | CCC)CC=O)NCCC[C@@H]NC)C=O)cccoc5)))))))C6)))))))CC3 | [C][C][Branch1][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][#C][C][C][Ring2][Ring1][Ring2] | N14CCC[C@@H]6C1.c18ccoc1.C179CC1.CC9C.C47=O.N56C.C58=O | [C][C][Branch][C][pop][C][Branch][C][=Branch][=O][pop][N][C][C][C][CH1][Branch][N][Branch][C][pop][C][=Branch][=O][pop][C][C][=C][O][C][=Ring1][Branch][pop][C][Ring2][Ring1][C][pop][C][C][Ring2][Ring1][#Branch] |
O=C(Cc1cccc(F)c1)NC[C@H]1C[C@@H](NCC(=O)N2CCCC2)C1 | O=CCcccccF)c6)))))))NC[C@H]C[C@@H]NCC=O)NCCCC5))))))))C4 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C@H1][C][C@@H1][Branch1][=C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N] | c19cccc(F)c1.[C@H]18C[C@@H]7C1.N14CCCC1.O=C3C9.C6C4=O.N35.C58.N67 | [O][=C][Branch][C][C][=C][C][=C][C][Branch][F][pop][=C][Ring1][#Branch][pop][N][C][CH1][C][CH1][Branch][N][C][C][=Branch][=O][pop][N][C][C][C][C][Ring1][Branch][pop][C][Ring1][S] |
O=C(Cc1ccon1)NCCN(CCO)C(=O)[C@H]1CC12CC2 | O=CCcccon5))))))NCCNCCO)))C=O)[C@H]CC3CC3 | [O][=C][Branch1][=Branch2][C][C][C][=C][O][N][=Ring1][Branch1][N][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][Ring1][Ring1] | c19ccon1.[C@H]18CC12CC2.O=C3C9.C5C6.N467.C7CO.C48=O.N35 | [O][=C][Branch][C][C][C][=C][O][N][=Ring1][Branch][pop][N][C][C][N][Branch][C][C][O][pop][C][=Branch][=O][pop][CH1][C][C][Branch][C][C][Ring1][Ring1][pop][Ring1][Ring1] |
CCCc1ccc(CCCC(=O)OCC2COC2)cc1 | CCCccccCCCC=O)OCCCOC4))))))))))cc6 | [C][C][C][C][=C][C][=C][Branch1][S][C][C][C][C][=Branch1][C][=O][O][C][C][C][O][C][Ring1][Ring2][C][=C][Ring1][P] | c16ccc7cc1.C7CCC3=O.C15COC1.CCC6.O34.C45 | [C][C][C][C][=C][C][=C][Branch][C][C][C][C][=Branch][=O][pop][O][C][C][C][O][C][Ring1][Ring2][pop][C][=C][Ring2][Ring1][Ring2] |
NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)c2ccns2)C1 | NC=O)C=O)NC[C@]O)CCNC=O)cccns5))))))C5 | [N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@][Branch1][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][S][Ring1][Branch1][C][Ring1][=N] | [C@@]17(O)CCN4C1.NC(=O)C3=O.c16ccns1.C46=O.N35.C57 | [N][C][=Branch][=O][pop][C][=Branch][=O][pop][N][C][C][Branch][O][pop][C][C][N][Branch][C][=Branch][=O][pop][C][=C][C][=N][S][Ring1][Branch][pop][C][Ring1][S] |
CC1CC(CN2CC[C@@H]2CNC(=O)c2scnc2C(C)C)C1 | CCCCCNCC[C@@H]4CNC=O)cscnc5CC)C)))))))))))))))C4 | [C][C][C][C][Branch2][Ring1][#Branch2][C][N][C][C][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Branch1] | c16scnc18.CC1CC9C1.N14CC[C@@H]17.C36=O.C8(C)C.C49.C57.N35 | [C][C][C][C][Branch][C][N][C][C][CH1][Branch][C][N][C][=Branch][=O][pop][C][S][C][=N][C][Branch][C][Branch][C][pop][C][pop][=Ring1][Branch][pop][Ring1][Ring2][pop][C][Ring2][Ring1][O] |
CSC[C@H](C)C(=O)NC[C@@H](C)NC(=O)CCc1ccnn1C | CSC[C@H]C)C=O)NC[C@@H]C)NC=O)CCcccnn5C | [C][S][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=N][N][Ring1][Branch1][C] | C6[C@H](C)C2=O.c17ccnn1C.C3(=O)CC7.C4[C@H]5C.CS6.N24.N35 | [C][S][C][CH1][Branch][C][pop][C][=Branch][=O][pop][N][C][CH1][Branch][C][pop][N][C][=Branch][=O][pop][C][C][C][=C][C][=N][N][Branch][C][pop][Ring1][Branch] |
CCc1cccc(CN2CC[C@](C)(NC(=O)CC[C@H](C)OC)C2)c1 | CCcccccCNCC[C@]C)NC=O)CC[C@H]C)OC)))))))C5))))))c6 | [C][C][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][C][C@][Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][C][O][C][C][Ring1][#C][=C][Ring2][Ring1][=Branch1] | c17cccc8c1.N15CC[C@@]6(C)C1.C3(=O)CC[C@@H]4C.CC7.C58.N36.O4C | [C][C][C][=C][C][=C][C][Branch][C][N][C][C][C][Branch][C][pop][Branch][N][C][=Branch][=O][pop][C][C][CH1][Branch][C][pop][O][C][pop][C][Ring2][Ring1][C][pop][=C][Ring2][Ring1][N] |
C[C@H]1[C@@H](NC(=O)c2cccc(C(F)(F)F)c2F)CCS1(=O)=O | C[C@H][C@@H]NC=O)cccccCF)F)F))c6F)))))))))CCS5=O)=O | [C][C@H1][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][F][C][C][S][Ring2][Ring1][Ring1][=Branch1][C][=O][=O] | C[C@H]1[C@@H]4CCS1(=O)=O.c15cccc6c1F.C6(F)(F)F.C35=O.N34 | [C][CH1][CH1][Branch][N][C][=Branch][=O][pop][C][=C][C][=C][C][Branch][C][Branch][F][pop][Branch][F][pop][F][pop][=C][Branch][F][pop][Ring1][=N][pop][C][C][S][=Branch][=O][pop][=Branch][=O][pop][Ring2][Ring1][=Branch] |
COc1cc(CNc2nnc(C3CC3)o2)cc(OC)c1 | COcccCNcnncCCC3)))o5)))))))ccOC))c6 | [C][O][C][=C][C][Branch1][P][C][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14cc5cc8c1.c17nnc9o1.C19CC1.CO4.C68.N67.O5C | [C][O][C][=C][C][Branch][C][N][C][=N][N][=C][Branch][C][C][C][Ring1][Ring1][pop][O][Ring1][O][pop][=C][C][Branch][O][C][pop][=C][Ring2][Ring1][Branch] |
C[C@@H]1[C@H](C)CN(C(=O)Nc2cccc(F)c2F)[C@@H]1C | C[C@@H][C@H]C)CNC=O)NcccccF)c6F)))))))))[C@@H]5C | [C][C@@H1][C@H1][Branch1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C@@H1][Ring1][P][C] | C[C@@H]1[C@H](C)CN3[C@@H]1C.c15cccc(F)c1F.C34=O.N45 | [C][CH1][CH1][Branch][C][pop][C][N][Branch][C][=Branch][=O][pop][N][C][=C][C][=C][C][Branch][F][pop][=C][Branch][F][pop][Ring1][#Branch][pop][CH1][Branch][C][pop][Ring2][Ring1][Ring2] |
O=C(Cc1cncs1)N1CCOc2ccc(C(F)(F)F)cc21 | O=CCccncs5))))))NCCOccccCF)F)F))cc6%10 | [O][=C][Branch1][=Branch2][C][C][=C][N][=C][S][Ring1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring1][=C] | N13CCOc2ccc5cc21.c14cncs1.O=C3C4.C5(F)(F)F | [O][=C][Branch][C][C][=C][N][=C][S][Ring1][Branch][pop][N][C][C][O][C][=C][C][=C][Branch][C][Branch][F][pop][Branch][F][pop][F][pop][C][=C][Ring1][P][Ring1][=N] |
O=C(Nc1ccccc1SC(F)F)[C@]1(F)CCOC1 | O=CNcccccc6SCF)F))))))))))[C@]F)CCOC5 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][F][F][C@][Branch1][C][F][C][C][O][C][Ring1][=Branch1] | c13ccccc15.[C@@]14(F)CCOC1.S5C(F)F.O=C24.N23 | [O][=C][Branch][N][C][=C][C][=C][C][=C][Branch][S][C][Branch][F][pop][F][pop][Ring1][=Branch][pop][C][Branch][F][pop][C][C][O][C][Ring1][=Branch] |
C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCNC1 | C[C@H]NC=O)cccco5)))))))C=O)N[C@H]CCCNC6 | [C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][N][C][Ring1][=Branch1] | [C@H]15CCCNC1.C[C@H]4C3=O.c16ccco1.C26=O.N24.N35 | [C][CH1][Branch][N][C][=Branch][=O][pop][C][=C][C][=C][O][Ring1][Branch][pop][C][=Branch][=O][pop][N][CH1][C][C][C][N][C][Ring1][=Branch] |
CCCC1(C(=O)N[C@@H](C)C2CN(C(=O)CC3(C)CC3)C2)CCC1 | CCCCC=O)N[C@@H]C)CCNC=O)CCC)CC3)))))C4)))))))CCC4 | [C][C][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Ring1][Ring2][C][Ring1][O][C][C][C][Ring2][Ring1][Ring2] | C178CCC1.C19CN5C1.C5(=O)C%10.C1%10(C)CC1.CCC8.C47=O.[C@@H]69C.N46 | [C][C][C][C][Branch][C][=Branch][=O][pop][N][CH1][Branch][C][pop][C][C][N][Branch][C][=Branch][=O][pop][C][C][Branch][C][pop][C][C][Ring1][Ring2][pop][C][Ring1][=C][pop][C][C][C][Ring2][Ring1][#Branch] |
Cc1cccc(CN2CC[C@H](NC(=O)CSC(C)C)[C@H](O)C2)c1 | CcccccCNCC[C@H]NC=O)CSCC)C))))))[C@H]O)C6)))))))c6 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][C][C@H1][Branch1][C][O][C][Ring1][#C][=C][Ring2][Ring1][=Branch1] | N14CC[C@H]7[C@H](O)C1.Cc1cccc8c1.C3(=O)C5.C6(C)C.C48.N37.S56 | [C][C][=C][C][=C][C][Branch][C][N][C][C][CH1][Branch][N][C][=Branch][=O][pop][C][S][C][Branch][C][pop][C][pop][CH1][Branch][O][pop][C][Ring2][Ring1][C][pop][=C][Ring2][Ring1][N] |
Cn1nncc1C(=O)NCc1cn(C2CN(CCO)C2)nn1 | Cnnncc5C=O)NCccnCCNCCO)))C4))))nn5 | [C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][N][C][C][N][Branch1][Ring2][C][C][O][C][Ring1][#Branch1][N][=N][Ring1][N] | Cn1nncc16.c17cn8nn1.C18CN5C1.C36=O.C5CO.N34.C47 | [C][N][N][=N][C][=C][Branch][C][=Branch][=O][pop][N][C][C][=C][N][Branch][C][C][N][Branch][C][C][O][pop][C][Ring1][#Branch][pop][N][=N][Ring1][#C][pop][Ring1][Branch] |
Cc1cncc(C)c1C(=O)N[C@@H]1CCN(c2cnc(F)cn2)C1 | CccnccC)c6C=O)N[C@@H]CCNccncF)cn6))))))C5 | [C][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][N][C][=C][N][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][Ring1][N] | Cc1cncc(C)c16.c14cnc(F)cn1.[C@@H]15CCN4C1.C36=O.N35 | [C][C][=C][N][=C][C][Branch][C][pop][=C][Branch][C][=Branch][=O][pop][N][CH1][C][C][N][Branch][C][=C][N][=C][Branch][F][pop][C][=N][Ring1][#Branch][pop][C][Ring1][#C][pop][Ring1][#Branch] |
O=C(O)COc1ccc(CN2CC[C@H](CF)C(F)(F)C2)cc1 | O=CO)COccccCNCC[C@H]CF))CF)F)C6)))))))cc6 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C@H1][Branch1][Ring1][C][F][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch2][C][=C][Ring1][P] | N15CC[C@H]6C(F)(F)C1.c14ccc7cc1.O=C(O)C3.O34.C57.C6F | [O][=C][Branch][O][pop][C][O][C][=C][C][=C][Branch][C][N][C][C][CH1][Branch][C][F][pop][C][Branch][F][pop][Branch][F][pop][C][Ring1][=N][pop][C][=C][Ring2][Ring1][Ring2] |
CCN(CCNC(=O)CC1CCCC1)C(=O)[C@H]1C[C@H]1C(=O)O | CCNCCNC=O)CCCCCC5))))))))))C=O)[C@H]C[C@H]3C=O)O | [C][C][N][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][O] | C19CCCC1.C2(=O)C9.[C@H]17C[C@H]18.N345.C5C6.C37=O.C8(=O)O.CC4.N26 | [C][C][N][Branch][C][C][N][C][=Branch][=O][pop][C][C][C][C][C][C][Ring1][Branch][pop][C][=Branch][=O][pop][CH1][C][CH1][Branch][C][=Branch][=O][pop][O][pop][Ring1][Ring1] |
COCc1oncc1C(=O)N1CC[C@@H]2C[C@]21C(=O)N1CC=CC1 | COCconcc5C=O)NCC[C@@H]C[C@]36C=O)NCC=CC5 | [C][O][C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][C][C@][Ring1][Ring1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Ring1][Branch1] | N13CC[C@@H]2C[C@]216.c18oncc17.N14CC=CC1.C37=O.C46=O.CO5.C58 | [C][O][C][C][O][N][=C][C][Branch][C][=Branch][=O][pop][N][C][C][CH1][C][C][Branch][C][=Branch][=O][pop][N][C][C][=C][C][Ring1][Branch][pop][Ring1][=Branch][Ring1][Ring1][pop][=Ring1][Branch] |
O=C(CCC1CCCCC1)N[C@H]1CCN(c2ncncc2Cl)C1 | O=CCCCCCCCC6))))))))N[C@H]CCNcncncc6Cl)))))))C5 | [O][=C][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][C@H1][C][C][N][Branch1][#Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][Cl][C][Ring1][N] | c14ncncc1Cl.C16CCCCC1.[C@H]15CCN4C1.O=C3CC6.N35 | [O][=C][Branch][C][C][C][C][C][C][C][C][Ring1][=Branch][pop][N][CH1][C][C][N][Branch][C][=N][C][=N][C][=C][Branch][Cl][pop][Ring1][=Branch][pop][C][Ring1][#C] |
O=C(NCc1nccn1C(F)F)C(=O)NC1CCC(C(=O)O)CC1 | O=CNCcnccn5CF)F)))))))))C=O)NCCCCC=O)O))CC6 | [O][=C][Branch1][#C][N][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2] | C15CCC6CC1.c18nccn17.O=C2C3=O.C7(F)F.C6(=O)O.N24.C48.N35 | [O][=C][Branch][N][C][C][=N][C][=C][N][Branch][C][Branch][F][pop][F][pop][Ring1][Branch][pop][C][=Branch][=O][pop][N][C][C][C][C][Branch][C][=Branch][=O][pop][O][pop][C][C][Ring1][N] |
CCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C(C)(C)CC(F)F)C1 | CCCC=O)NCC[C@@H][C@@H]C)NC=O)CC)C)CCF)F)))))))C5 | [C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][#Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][F][C][Ring1][P] | C3(=O)C(C)(C)CC(F)F.N12CC[C@@H]5C1.CCCC2=O.[C@H]45C.N34 | [C][C][C][C][=Branch][=O][pop][N][C][C][CH1][Branch][CH1][Branch][C][pop][N][C][=Branch][=O][pop][C][Branch][C][pop][Branch][C][pop][C][C][Branch][F][pop][F][pop][C][Ring2][Ring1][Ring2] |
C#CCCNC[C@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1C | C#CCCNC[C@H]CCNC=O)ccccn[nH]cc5c9))))))))))C[C@H]6C | [C][#C][C][C][N][C][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][C@H1][Ring1][P][C] | c17ccc2n[nH]cc2c1.[C@H]18CCN4C[C@H]1C.C#CCC5.C47=O.N56.C68 | [C][#C][C][C][N][C][CH1][C][C][N][Branch][C][=Branch][=O][pop][C][C][=C][C][=N][N][C][=C][Branch][C][=Ring1][N][pop][Ring1][Branch][pop][C][CH1][Branch][C][pop][Ring2][Ring1][Ring2] |
C[C@@H]1CCNC[C@H]1NC(=O)Nc1ccc(OCC(=O)O)c(Cl)c1 | C[C@@H]CCNC[C@H]6NC=O)NccccOCC=O)O))))cCl)c6 | [C][C@@H1][C][C][N][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=C][Ring1][N] | c16ccc5c(Cl)c1.C[C@@H]1CCNC[C@H]17.C4C(=O)O.C23=O.N27.N36.O45 | [C][CH1][C][C][N][C][CH1][Branch][N][C][=Branch][=O][pop][N][C][=C][C][=C][Branch][O][C][C][=Branch][=O][pop][O][pop][C][Branch][Cl][pop][=C][Ring1][#C][pop][Ring1][=Branch] |
Cc1nccn1C[C@H](C)CNC(=O)Cc1cccc(OCC#N)c1 | Ccnccn5C[C@H]C)CNC=O)CcccccOCC#N))))c6 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Branch1][O][C][C][#N][=C][Ring1][#Branch2] | c17cccc4c1.Cc1nccn16.C6[C@H](C)C5.C2(=O)C7.C3C#N.N25.O34 | [C][C][=N][C][=C][N][Branch][C][CH1][Branch][C][pop][C][N][C][=Branch][=O][pop][C][C][=C][C][=C][C][Branch][O][C][C][#N][pop][=C][Ring1][=N][pop][Ring1][Branch] |
COc1nc(C(=O)N2CC[C@H]2CN(C)C(C)=O)co1 | COcncC=O)NCC[C@H]4CNC)CC)=O)))))))))co5 | [C][O][C][=N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][N][Branch1][C][C][C][Branch1][C][C][=O][=C][O][Ring1][P] | c15nc7co1.N13CC[C@H]18.C37=O.N46C.C4(C)=O.CO5.C68 | [C][O][C][=N][C][Branch][C][=Branch][=O][pop][N][C][C][CH1][Branch][C][N][Branch][C][pop][C][Branch][C][pop][=O][pop][Ring1][Ring2][pop][=C][O][Ring2][Ring1][Ring2] |
CN1CC[C@@H](N2CC(NC(=O)[C@H]3CN4CC5CC4(CO3)C5)C2)C1=O | CNCC[C@@H]NCCNC=O)[C@H]CNCCCC5CO9))C4))))))))))C4))))C5=O | [C][N][C][C][C@@H1][Branch2][Ring1][P][N][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][C][N][C][C][C][C][Ring1][Branch1][Branch1][Branch1][C][O][Ring1][=Branch2][C][Ring1][=Branch1][C][Ring1][P][C][Ring2][Ring1][=Branch1][=O] | [C@H]19CN2CC3CC2(CO1)C3.CN1CC[C@@H]7C1=O.N17CC8C1.C69=O.N68 | [C][N][C][C][CH1][Branch][N][C][C][Branch][N][C][=Branch][=O][pop][CH1][C][N][C][C][C][C][Branch][C][O][Ring1][N][pop][Branch][C][Ring1][=Branch][pop][Ring1][Branch][pop][C][Ring2][Ring1][Ring2][pop][C][=Branch][=O][pop][Ring2][Ring1][N] |
C[C@H]1CN(CC(=O)NC2CCOCC2)CCN1CC(F)(F)F | C[C@H]CNCC=O)NCCCOCC6)))))))))CCN6CCF)F)F | [C][C@H1][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][=Branch1][C][C][N][Ring1][S][C][C][Branch1][C][F][Branch1][C][F][F] | C[C@H]1CN4CCN15.C16CCOCC1.C5C(F)(F)F.C4C3=O.N36 | [C][CH1][C][N][Branch][C][C][=Branch][=O][pop][N][C][C][C][O][C][C][Ring1][=Branch][pop][C][C][N][Branch][C][C][Branch][F][pop][Branch][F][pop][F][pop][Ring2][Ring1][Ring1] |
N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](O)c1ccc(O)cc1 | N[C@H]Cccnc[nH]5))))))C=O)NC[C@H]O)ccccO)cc6 | [N][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c15ccc(O)cc1.N[C@H](C4)C2=O.c14cnc[nH]1.C3[C@@H]5O.N23 | [N][CH1][Branch][C][C][=C][N][=C][N][Ring1][Branch][pop][C][=Branch][=O][pop][N][C][CH1][Branch][O][pop][C][=C][C][=C][Branch][O][pop][C][=C][Ring1][#Branch] |
Cc1nc(C(=O)N2CCC[C@@H]2CNC(=O)C2C=CC=CC=C2)c(C)o1 | CcncC=O)NCCC[C@@H]5CNC=O)CC=CC=CC=C7))))))))))))))))cC)o5 | [C][C][=N][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][#Branch1][=C][Branch1][C][C][O][Ring2][Ring1][Branch2] | Cc1nc6c(C)o1.C17C=CC=CC=C1.N13CCC[C@@H]18.C36=O.C47=O.C58.N45 | [C][C][=N][C][Branch][C][=Branch][=O][pop][N][C][C][C][CH1][Branch][C][N][C][=Branch][=O][pop][C][C][=C][C][=C][C][=C][Ring1][#Branch][pop][Ring1][Branch][pop][=C][Branch][C][pop][O][Ring2][Ring1][=C] |
C[C@H]1CCCN(C[C@@H](C)NC(=O)CN2CSCCSC2)C1 | C[C@H]CCCNC[C@@H]C)NC=O)CNCSCCSC7))))))))))))C6 | [C][C@H1][C][C][C][N][Branch2][Ring1][Branch1][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][S][C][C][S][C][Ring1][#Branch1][C][Ring2][Ring1][Ring2] | C[C@H]1CCCN4C1.N16CSCCSC1.C4[C@H]5C.C3(=O)C6.N35 | [C][CH1][C][C][C][N][Branch][C][CH1][Branch][C][pop][N][C][=Branch][=O][pop][C][N][C][S][C][C][S][C][Ring1][#Branch][pop][C][Ring2][Ring1][#Branch] |
CCC1(NC(=O)c2cccc(C)c2Cl)CCN(C(C)=O)CC1 | CCCNC=O)cccccC)c6Cl)))))))))CCNCC)=O))CC6 | [C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring2][Ring1][Ring2] | C157CCN4CC1.c16cccc(C)c1Cl.C36=O.C4(C)=O.CC7.N35 | [C][C][C][Branch][N][C][=Branch][=O][pop][C][=C][C][=C][C][Branch][C][pop][=C][Branch][Cl][pop][Ring1][#Branch][pop][C][C][N][Branch][C][Branch][C][pop][=O][pop][C][C][Ring2][Ring1][#Branch] |
CC(=O)N1CCCC[C@]12CCN(C(=O)[C@@H]1COCN1)C2 | CC=O)NCCCC[C@]6CCNC=O)[C@@H]COCN5))))))C5 | [C][C][=Branch1][C][=O][N][C][C][C][C][C@][Ring1][=Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][C][O][C][N][Ring1][Branch1][C][Ring1][N] | N13CCCC[C@]12CCN4C2.[C@@H]15COCN1.CC3=O.C45=O | [C][C][=Branch][=O][pop][N][C][C][C][C][C][Branch][C][C][N][Branch][C][=Branch][=O][pop][CH1][C][O][C][N][Ring1][Branch][pop][C][Ring1][#C][pop][Ring1][=Branch] |
O=C1N[C@@H](C(=O)N2CCCC3(CN(C(=O)Cc4nc[nH]n4)C3)C2)CO1 | O=CN[C@@H]C=O)NCCCCCNC=O)Ccnc[nH]n5)))))))C4)))C6)))))))CO5 | [O][=C][N][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring2][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][N][=C][NH1][N][=Ring1][Branch1][C][Ring1][N][C][Ring1][P][C][O][Ring2][Ring1][Branch2] | N15CCCC2(C1)CN6C2.O=C1N[C@@H]7CO1.c18nc[nH]n1.C6(=O)C8.C57=O | [O][=C][N][CH1][Branch][C][=Branch][=O][pop][N][C][C][C][C][Branch][C][N][Branch][C][=Branch][=O][pop][C][C][N][=C][N][N][=Ring1][Branch][pop][C][Ring1][#C][pop][C][Ring2][Ring1][Ring2][pop][C][O][Ring2][Ring1][=C] |
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCN2C(N)=O)C1 | NC=O)[C@@H]C[C@@H]3C=O)NCCNC=O)[C@@H]CCCN5CN)=O)))))))))C4 | [N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Branch1][C][N][=O][C][Ring1][#C] | [C@@H]17CCCN15.N13CC6C1.[C@@H]18C[C@@H]19.NC8=O.C39=O.C47=O.C5(N)=O.N46 | [N][C][=Branch][=O][pop][CH1][C][CH1][Branch][C][=Branch][=O][pop][N][C][C][Branch][N][C][=Branch][=O][pop][CH1][C][C][C][N][Branch][C][Branch][N][pop][=O][pop][Ring1][Branch][pop][C][Ring2][Ring1][C][pop][Ring1][Ring1] |
CCC1(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cc3cnc[nH]3)C2)CCOCC1 | CCCC=O)N[C@@H]C[C@H]C)NC=O)Cccnc[nH]5)))))))C5)))))))CCOCC6 | [C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Ring1][=C][C][C][O][C][C][Ring2][Ring1][#Branch1] | C179CCOCC1.[C@@H]16C[C@H](C)N5C1.c18cnc[nH]1.C5(=O)C8.C47=O.CC9.N46 | [C][C][C][Branch][C][=Branch][=O][pop][N][CH1][C][CH1][Branch][C][pop][N][Branch][C][=Branch][=O][pop][C][C][=C][N][=C][N][Ring1][Branch][pop][C][Ring1][P][pop][C][C][O][C][C][Ring2][Ring1][=N] |
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