SMILES stringlengths 16 101 | Deep SMILES stringlengths 14 104 | SELFIES stringlengths 66 296 | SAFE stringlengths 19 118 | Group SELFIES stringlengths 66 302 |
|---|---|---|---|---|
CCCCOCC(=O)N[C@H]1C[C@@H](Nc2cc(C)nc(CC)n2)C1 | CCCCOCC=O)N[C@H]C[C@@H]NcccC)ncCC))n6)))))))C4 | [C][C][C][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch1][P][N][C][=C][C][Branch1][C][C][=N][C][Branch1][Ring1][C][C][=N][Ring1][=Branch2][C][Ring1][=C] | c16cc(C)nc9n1.[C@H]17C[C@@H]8C1.CCCC4.C5C3=O.O45.N37.N68.C9C | [C][C][C][C][O][C][C][=Branch][=O][pop][N][CH1][C][CH1][Branch][N][C][=C][C][Branch][C][pop][=N][C][Branch][C][C][pop][=N][Ring1][N][pop][C][Ring1][P] |
CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)C1 | CCNCCC[C@@H][C@H]C)NC=O)CccccF)cCl)c6))))))))))C6 | [C][C][N][C][C][C][C@@H1][Branch2][Ring1][=Branch2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2] | c17ccc(F)c(Cl)c1.N14CCC[C@@H]6C1.C3(=O)C7.[C@@H]56C.CC4.N35 | [C][C][N][C][C][C][CH1][Branch][CH1][Branch][C][pop][N][C][=Branch][=O][pop][C][C][=C][C][=C][Branch][F][pop][C][Branch][Cl][pop][=C][Ring1][O][pop][C][Ring2][Ring1][#Branch] |
Cn1nccc1COCC(=O)N1CC[C@@](F)(C(=O)O)C1 | Cnnccc5COCC=O)NCC[C@@]F)C=O)O))C5 | [C][N][N][=C][C][=C][Ring1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][F][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2] | N12CC[C@]5(F)C1.Cn1nccc16.C4C2=O.C5(=O)O.C36.O34 | [C][N][N][=C][C][=C][Branch][C][O][C][C][=Branch][=O][pop][N][C][C][C][Branch][F][pop][Branch][C][=Branch][=O][pop][O][pop][C][Ring1][N][pop][Ring1][Branch] |
CCS(=O)(=O)N[C@@H](C)C(=O)NCCN(C)Cc1snnc1C | CCS=O)=O)N[C@@H]C)C=O)NCCNC)Ccsnnc5C | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][S][N][=N][C][=Ring1][Branch1][C] | c18snnc1C.CCS7(=O)=O.[C@H]3(C)C2=O.C4C5.N56C.N37.N24.C68 | [C][C][S][=Branch][=O][pop][=Branch][=O][pop][N][CH1][Branch][C][pop][C][=Branch][=O][pop][N][C][C][N][Branch][C][pop][C][C][S][N][=N][C][Branch][C][pop][=Ring1][Branch] |
CN(C(=O)c1cnon1)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 | CNC=O)ccnon5))))))[C@@H]CCCNC=O)cnnnC)n5))))))C6 | [C][N][Branch1][N][C][=Branch1][C][=O][C][C][=N][O][N][=Ring1][Branch1][C@@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][Ring1][=C] | [C@@H]15CCCN4C1.c17nnn(C)n1.c16cnon1.CN35.C36=O.C47=O | [C][N][Branch][C][=Branch][=O][pop][C][C][=N][O][N][=Ring1][Branch][pop][CH1][C][C][C][N][Branch][C][=Branch][=O][pop][C][N][=N][N][Branch][C][pop][N][=Ring1][=Branch][pop][C][Ring1][P] |
CC(C)c1cccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 | CCC)cccccCNC=O)NC[C@H]CNCCC[C@H]5CO9))))))))))))))c6 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C@H1][C][N][C][C][C][C@H1][Ring1][Branch1][C][O][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | [C@H]18CN2CCC[C@H]2CO1.c19cccc%10c1.CC9C.C45=O.C6%10.N46.N57.C78 | [C][C][Branch][C][pop][C][=C][C][=C][C][Branch][C][N][C][=Branch][=O][pop][N][C][CH1][C][N][C][C][C][CH1][Branch][C][O][Ring1][N][pop][Ring1][Branch][pop][=C][Ring2][Ring1][O] |
COCC(=O)N1CC[C@H](C)[C@H](CNC(=O)c2ccnnc2)C1 | COCC=O)NCC[C@H]C)[C@H]CNC=O)cccnnc6)))))))))C6 | [C][O][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][Ring1][P] | N13CC[C@H](C)[C@H]8C1.c17ccnnc1.C5C3=O.C47=O.CO5.C68.N46 | [C][O][C][C][=Branch][=O][pop][N][C][C][CH1][Branch][C][pop][CH1][Branch][C][N][C][=Branch][=O][pop][C][=C][C][=N][N][=C][Ring1][=Branch][pop][C][Ring2][Ring1][Ring2] |
COC(=O)NCC(=O)NCCN(C)C(=O)[C@H]1COCCO1 | COC=O)NCC=O)NCCNC)C=O)[C@H]COCCO6 | [C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][O][C][C][O][Ring1][=Branch1] | [C@H]19COCCO1.C6C4=O.C23=O.C7C8.N58C.C59=O.CO2.N36.N47 | [C][O][C][=Branch][=O][pop][N][C][C][=Branch][=O][pop][N][C][C][N][Branch][C][pop][C][=Branch][=O][pop][CH1][C][O][C][C][O][Ring1][=Branch] |
CCOCCC1(C(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)CCC1 | CCOCCCC=O)NCCC[C@@H][C@H]CCCCO6))))))C6)))))))CCC4 | [C][C][O][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][=Branch2][C@H1][C][C][C][C][O][Ring1][=Branch1][C][Ring1][N][C][C][C][Ring2][Ring1][C] | N14CCC[C@@H]9C1.[C@H]19CCCCO1.C178CCC1.C6C8.C47=O.CC5.O56 | [C][C][O][C][C][C][Branch][C][=Branch][=O][pop][N][C][C][C][CH1][Branch][CH1][C][C][C][C][O][Ring1][=Branch][pop][C][Ring1][#C][pop][C][C][C][Ring2][Ring1][Branch] |
CCO[C@@H]1C[C@@H](NC(=O)NCc2csc(C)n2)[C@@H]1OC | CCO[C@@H]C[C@@H]NC=O)NCccscC)n5)))))))))[C@@H]4OC | [C][C][O][C@@H1][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C@@H1][Ring1][#C][O][C] | [C@@H]16C[C@@H]9[C@@H]17.c1%10csc(C)n1.C34=O.CC5.O56.N39.N48.C8%10.O7C | [C][C][O][CH1][C][CH1][Branch][N][C][=Branch][=O][pop][N][C][C][=C][S][C][Branch][C][pop][=N][Ring1][=Branch][pop][CH1][Branch][O][C][pop][Ring2][Ring1][C] |
C[C@H]1CN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CCC1(F)F | C[C@H]CNC=O)cccccc6)NC)C=O)CO6))))))))))CCC6F)F | [C][C@H1][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][O][Ring1][=Branch2][C][C][C][Ring2][Ring1][Ring2][Branch1][C][F][F] | c15ccc2c(c1)N(C)C(=O)CO2.C[C@H]1CN4CCC1(F)F.C45=O | [C][CH1][C][N][Branch][C][=Branch][=O][pop][C][=C][C][=C][C][=Branch][=C][Ring1][=Branch][pop][N][Branch][C][pop][C][=Branch][=O][pop][C][O][Ring1][N][pop][C][C][C][Branch][F][pop][Branch][F][pop][Ring2][Ring1][#Branch] |
COc1cc(C#N)ccc1OCCCC(=O)OC[C@H]1CN(C)C(=O)O1 | COcccC#N))ccc6OCCCC=O)OC[C@H]CNC)C=O)O5 | [C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][C][C][C][=Branch1][C][=O][O][C][C@H1][C][N][Branch1][C][C][C][=Branch1][C][=O][O][Ring1][#Branch1] | c15cc(C#N)ccc16.[C@H]17CN(C)C(=O)O1.C3CCC2=O.CO5.O36.O24.C47 | [C][O][C][=C][C][Branch][C][#N][pop][=C][C][=C][Branch][O][C][C][C][C][=Branch][=O][pop][O][C][CH1][C][N][Branch][C][pop][C][=Branch][=O][pop][O][Ring1][#Branch][pop][Ring1][O] |
CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)C[C@@H]1CCN(C)C1 | CCNcncC)ccC#N))n6))))))[C@H]C)CNC=O)C[C@@H]CCNC)C5 | [C][C][N][Branch1][S][C][=N][C][Branch1][C][C][=C][C][Branch1][Ring1][C][#N][=N][Ring1][=Branch2][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][N][Branch1][C][C][C][Ring1][=Branch1] | c16nc(C)cc(C#N)n1.[C@@H]17CCN(C)C1.[C@@H]4(C)C5.C2(=O)C7.N346.CC3.N25 | [C][C][N][Branch][C][=N][C][Branch][C][pop][=C][C][Branch][C][#N][pop][=N][Ring1][N][pop][CH1][Branch][C][pop][C][N][C][=Branch][=O][pop][C][CH1][C][C][N][Branch][C][pop][C][Ring1][=Branch] |
Cc1ccc(C(=O)N(C)C[C@H]2CCN(C(=O)c3nc[nH]n3)C2)o1 | CccccC=O)NC)C[C@H]CCNC=O)cnc[nH]n5))))))C5))))))))o5 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][N][=C][NH1][N][=Ring1][Branch1][C][Ring1][N][O][Ring2][Ring1][=Branch1] | Cc1ccc7o1.[C@H]19CCN5C1.c18nc[nH]n1.C47=O.N46C.C58=O.C69 | [C][C][=C][C][=C][Branch][C][=Branch][=O][pop][N][Branch][C][pop][C][CH1][C][C][N][Branch][C][=Branch][=O][pop][C][N][=C][N][N][=Ring1][Branch][pop][C][Ring1][#C][pop][O][Ring2][Ring1][N] |
C[C@@H]1C[C@H](CNC2CCN(C(=O)C(C)(C)F)CC2)CCO1 | C[C@@H]C[C@H]CNCCCNC=O)CC)C)F)))CC6))))))))CCO6 | [C][C@@H1][C][C@H1][Branch2][Ring1][=Branch2][C][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][F][C][C][Ring1][N][C][C][O][Ring2][Ring1][Ring2] | C[C@@H]1C[C@H]6CCO1.C15CCN3CC1.C3(=O)C(C)(C)F.C46.N45 | [C][CH1][C][CH1][Branch][C][N][C][C][C][N][Branch][C][=Branch][=O][pop][C][Branch][C][pop][Branch][C][pop][F][pop][C][C][Ring1][#C][pop][C][C][O][Ring2][Ring1][#Branch] |
Cc1nc2c(cc1C(=O)N1CCC[C@@H]1c1cccn1C)c(C)nn2C | Ccncccc6C=O)NCCC[C@@H]5ccccn5C))))))))))))))cC)nn5C | [C][C][=N][C][=C][Branch2][Ring1][Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][Branch1][C][C][=N][N][Ring2][Ring1][Branch1][C] | Cc1nc2c(cc14)c(C)nn2C.N13CCC[C@@H]15.c15cccn1C.C34=O | [C][C][=N][C][=C][Branch][C][=C][Branch][C][=Branch][=O][pop][N][C][C][C][CH1][Branch][C][=C][C][=C][N][Branch][C][pop][Ring1][Branch][pop][Ring1][Branch][pop][Ring1][=Branch][pop][C][Branch][C][pop][=N][N][Branch][C][pop][Ring2][Ring1][O] |
C[C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@@H](C)[S+]1[O-] | C[C@@H]CNC=O)cccF)ccc6Cl))))))))C[C@@H]C)[S+]6[O-] | [C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Cl][C][C@@H1][Branch1][C][C][S+1][Ring1][P][O-1] | C[C@@H]1CN3C[C@@H](C)[S+]1[O-].c14cc(F)ccc1Cl.C34=O | [C][CH1][C][N][Branch][C][=Branch][=O][pop][C][=C][C][Branch][F][pop][=C][C][=C][Branch][Cl][pop][Ring1][#Branch][pop][C][CH1][Branch][C][pop][SH0+1][Branch][OH0-1][pop][Ring2][Ring1][Ring2] |
Cc1cnc(CN[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]2C)cn1 | CccncCN[C@@H]CCNC=O)CSC)=O)=O))))C[C@@H]6C)))))))))cn6 | [C][C][=C][N][=C][Branch2][Ring1][O][C][N][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C@@H1][Ring1][=N][C][C][=N][Ring2][Ring1][=Branch1] | [C@@H]15CCN3C[C@@H]1C.Cc1cnc6cn1.C3(=O)CS(C)(=O)=O.C46.N45 | [C][C][=C][N][=C][Branch][C][N][CH1][C][C][N][Branch][C][=Branch][=O][pop][C][S][Branch][C][pop][=Branch][=O][pop][=O][pop][C][CH1][Branch][C][pop][Ring1][S][pop][C][=N][Ring2][Ring1][N] |
Cc1noc(C)c1C(C)(C)NC(=O)/C=C/c1ccc(C(=O)O)o1 | CcnocC)c5CC)C)NC=O)/C=C/ccccC=O)O))o5 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][Branch2] | Cc1noc(C)c16.C=5c1ccc4o1.C36(C)C.C2(=O)C=5.C4(=O)O.N23 | [C][C][=N][O][C][Branch][C][pop][=C][Branch][C][Branch][C][pop][Branch][C][pop][N][C][=Branch][=O][pop][/C][=C][/C][=C][C][=C][Branch][C][=Branch][=O][pop][O][pop][O][Ring1][O][pop][Ring1][=Branch] |
CO[C@H](C)CN1CC2(C[C@H](NC(=O)Cn3cnnn3)CO2)C1 | CO[C@H]C)CNCCC[C@H]NC=O)Cncnnn5))))))))CO5))))C4 | [C][O][C@H1][Branch1][C][C][C][N][C][C][Branch2][Ring1][=Branch1][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=N][N][=N][Ring1][Branch1][C][O][Ring1][=C][C][Ring1][P] | N16CC2(C[C@H]7CO2)C1.n18cnnn1.[C@@H]5(C)C6.C4(=O)C8.CO5.N47 | [C][O][CH1][Branch][C][pop][C][N][C][C][Branch][C][CH1][Branch][N][C][=Branch][=O][pop][C][N][C][=N][N][=N][Ring1][Branch][pop][C][O][Ring1][P][pop][C][Ring2][Ring1][Ring2] |
Cc1ccc(N2CCN(S(N)(=O)=O)[C@H](C)C2)cc1C | CccccNCCNSN)=O)=O))[C@H]C)C6))))))cc6C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C@H1][Branch1][C][C][C][Ring1][O][C][=C][Ring1][P][C] | N13CCN(S(N)(=O)=O)[C@H](C)C1.Cc1ccc3cc1C | [C][C][=C][C][=C][Branch][N][C][C][N][Branch][S][Branch][N][pop][=Branch][=O][pop][=O][pop][CH1][Branch][C][pop][C][Ring1][=C][pop][C][=C][Branch][C][pop][Ring2][Ring1][Ring2] |
Cc1ccc2[nH]cc(-c3nc(C)ccc3C(N)=O)c2c1 | Ccccc[nH]cc-cncC)ccc6CN)=O))))))))c5c9 | [C][C][=C][C][=C][NH1][C][=C][Branch1][P][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2[nH]cc5c2c1.c15nc(C)ccc14.C4(N)=O | [C][C][=C][C][=C][N][C][=C][Branch][C][=N][C][Branch][C][pop][=C][C][=C][Branch][C][Branch][N][pop][=O][pop][Ring1][#Branch][pop][C][=Branch][=C][Ring2][Ring1][=Branch][pop][Ring2][Ring1][C] |
Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)n1 | Ccc[nH]cC=O)NCC[C@H]CNC=O)CN)=O)))C[C@H]58)))))))))n5 | [C][C][=C][NH1][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][N][=O][C][C@H1][Ring1][#Branch2][Ring1][=N][=N][Ring2][Ring1][Ring2] | N14CC[C@H]2CN5C[C@H]21.Cc1c[nH]c6n1.C5(=O)C(N)=O.C46=O | [C][C][=C][N][C][Branch][C][=Branch][=O][pop][N][C][C][CH1][C][N][Branch][C][=Branch][=O][pop][C][Branch][N][pop][=O][pop][C][CH1][Ring1][S][Ring1][=N][pop][=N][Ring2][Ring1][#Branch] |
NC(=O)c1ncn(CC(=O)N[C@@H]2CCN(CCO)C[C@@H]2O)n1 | NC=O)cncnCC=O)N[C@@H]CCNCCO)))C[C@@H]6O))))))))))n5 | [N][C][=Branch1][C][=O][C][N][=C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][Ring2][C][C][O][C][C@@H1][Ring1][=Branch2][O][N][=Ring2][Ring1][Ring1] | [C@@H]15CCN4C[C@@H]1O.c16ncn7n1.C7C3=O.NC6=O.C4CO.N35 | [N][C][=Branch][=O][pop][C][N][=C][N][Branch][C][C][=Branch][=O][pop][N][CH1][C][C][N][Branch][C][C][O][pop][C][CH1][Branch][O][pop][Ring1][N][pop][N][=Ring2][Ring1][=Branch] |
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)Cc2ccccn2)C1 | CCCNC=O)[C@@H]CCCNC=O)N[C@H]C)Ccccccn6))))))))))C6 | [C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][C] | [C@@H]18CCCN4C1.c19ccccn1.[C@@H]7(C)C9.CCC6.C38=O.C45=O.N36.N57 | [C][C][C][N][C][=Branch][=O][pop][CH1][C][C][C][N][Branch][C][=Branch][=O][pop][N][CH1][Branch][C][pop][C][C][=C][C][=C][C][=N][Ring1][=Branch][pop][C][Ring2][Ring1][Branch] |
C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CN1Cc1nncn1C | C[C@H]CC[C@H]NC=O)Cncnnn5))))))))CN6Ccnncn5C | [C][C@H1][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=N][N][=N][Ring1][Branch1][C][N][Ring1][#C][C][C][=N][N][=C][N][Ring1][Branch1][C] | C[C@H]1CC[C@H]5CN14.c17nncn1C.n16cnnn1.C3(=O)C6.N35.C47 | [C][CH1][C][C][CH1][Branch][N][C][=Branch][=O][pop][C][N][C][=N][N][=N][Ring1][Branch][pop][C][N][Branch][C][C][=N][N][=C][N][Branch][C][pop][Ring1][Branch][pop][Ring2][Ring1][C] |
O=C(N[C@H]1C[C@@H](NCC(=O)N2CCCCCC2)C1)[C@H]1CCCC12CC2 | O=CN[C@H]C[C@@H]NCC=O)NCCCCCC7))))))))))C4)))))[C@H]CCCC5CC3 | [O][=C][Branch2][Ring1][=Branch2][N][C@H1][C][C@@H1][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][#C][C@H1][C][C][C][C][Ring1][Branch1][C][C][Ring1][Ring1] | N14CCCCCC1.[C@H]18CCCC12CC2.[C@H]16C[C@@H]7C1.C5C4=O.O=C38.N36.N57 | [O][=C][Branch][N][CH1][C][CH1][Branch][N][C][C][=Branch][=O][pop][N][C][C][C][C][C][C][Ring1][#Branch][pop][C][Ring2][Ring1][C][pop][CH1][C][C][C][C][Branch][C][C][Ring1][Ring1][pop][Ring1][Branch] |
CCC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C3[C@@H]4CCC[C@@H]34)[C@@H]2C1 | CCCC)C)C=O)NC[C@@H]CCNC=O)C[C@@H]CCC[C@@H]65)))))))[C@@H]5C8 | [C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C@@H1][C][C][C][C@@H1][Ring1][=Branch1][Ring1][Branch1][C@@H1][Ring1][=N][C][Ring1][S] | N15C[C@@H]2CCN6[C@@H]2C1.CCC(C)(C)C5=O.C17[C@@H]2CCC[C@@H]12.C67=O | [C][C][C][Branch][C][pop][Branch][C][pop][C][=Branch][=O][pop][N][C][CH1][C][C][N][Branch][C][=Branch][=O][pop][C][CH1][C][C][C][CH1][Ring1][=Branch][Ring1][Branch][pop][CH1][Branch][C][Ring2][Ring1][Ring1][pop][Ring1][S] |
CCN1CCC(C)(NC(=O)[C@H]2CC[C@H](C)CC2)CC1 | CCNCCCC)NC=O)[C@H]CC[C@H]C)CC6))))))))CC6 | [C][C][N][C][C][C][Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][P] | N14CCC5(C)CC1.[C@H]16CC[C@H](C)CC1.C36=O.CC4.N35 | [C][C][N][C][C][C][Branch][C][pop][Branch][N][C][=Branch][=O][pop][CH1][C][C][CH1][Branch][C][pop][C][C][Ring1][#Branch][pop][C][C][Ring2][Ring1][Ring2] |
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-c2cn[nH]c2)C1 | C[C@@H]CCCNC=O)C=O)Ncccccc6-ccn[nH]c5))))))))))))))C6 | [C][C@@H1][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][NH1][C][=Ring1][Branch1][C][Ring2][Ring1][=Branch1] | C[C@@H]1CCCN3C1.c15ccccc16.C3(=O)C4=O.c16cn[nH]c1.N45 | [C][CH1][C][C][C][N][Branch][C][=Branch][=O][pop][C][=Branch][=O][pop][N][C][=C][C][=C][C][=C][Branch][C][C][=N][N][C][=Ring1][Branch][pop][Ring1][=Branch][pop][C][Ring2][Ring1][N] |
CCCNC(=O)c1ccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)cc1 | CCCNC=O)ccccNC=O)N[C@H]CN)=O))CC)C)C))))))cc6 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C] | [C@@H]6(C(N)=O)C(C)(C)C.c18ccc7cc1.CCC5.C28=O.C34=O.N25.N37.N46 | [C][C][C][N][C][=Branch][=O][pop][C][=C][C][=C][Branch][N][C][=Branch][=O][pop][N][CH1][Branch][C][Branch][N][pop][=O][pop][C][Branch][C][pop][Branch][C][pop][C][pop][C][=C][Ring2][Ring1][Branch] |
O=C(Cn1cn[nH]c1=O)N1CC[C@@H](c2c(F)cccc2F)C1 | O=CCncn[nH]c5=O)))))))NCC[C@@H]ccF)cccc6F)))))))C5 | [O][=C][Branch1][#Branch2][C][N][C][=N][NH1][C][Ring1][Branch1][=O][N][C][C][C@@H1][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][=N] | c15c(F)cccc1F.n14cn[nH]c1=O.N13CC[C@@H]5C1.O=C3C4 | [O][=C][Branch][C][N][C][=N][N][C][=Branch][=O][pop][Ring1][Branch][pop][N][C][C][CH1][Branch][C][=C][Branch][F][pop][C][=C][C][=C][Branch][F][pop][Ring1][#Branch][pop][C][Ring1][S] |
CNC(=O)NC(=O)CCN1CCN(CC(=O)NC(C)C)CC1 | CNC=O)NC=O)CCNCCNCC=O)NCC)C)))))CC6 | [C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][N][C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][=N] | N16CCN7CC1.C4(=O)CC6.C7C5=O.C23=O.C8(C)C.CN2.N34.N58 | [C][N][C][=Branch][=O][pop][N][C][=Branch][=O][pop][C][C][N][C][C][N][Branch][C][C][=Branch][=O][pop][N][C][Branch][C][pop][C][pop][C][C][Ring1][S] |
Cc1ccc(CNC(=O)CC(=O)NCC2CC2)cn1 | CccccCNC=O)CC=O)NCCCC3))))))))))cn6 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][C] | Cc1ccc8cn1.C3(=O)CC4=O.C17CC1.C58.N35.N46.C67 | [C][C][=C][C][=C][Branch][C][N][C][=Branch][=O][pop][C][C][=Branch][=O][pop][N][C][C][C][C][Ring1][Ring1][pop][C][=N][Ring2][Ring1][Branch] |
CCOC(=O)CC(C)(C)CC(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 | CCOC=O)CCC)C)CC=O)Ncccc[C@H]C)C=O)OC))))cc6 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][N] | C2(=O)CC(C)(C)CC4=O.c16ccc7cc1.[C@@H]7(C)C3=O.CC5.O25.N46.O3C | [C][C][O][C][=Branch][=O][pop][C][C][Branch][C][pop][Branch][C][pop][C][C][=Branch][=O][pop][N][C][=C][C][=C][Branch][CH1][Branch][C][pop][C][=Branch][=O][pop][O][C][pop][C][=C][Ring1][#C] |
C[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1ccc2nc(O)n(C)c2c1 | C[C@@H]CNC=O)[C@H]CCOC5))))))))NC=O)ccccncO)nC)c5c9 | [C][C@@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C@H1][C][C][O][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][O][N][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][O] | c18ccc2nc(O)n(C)c2c1.[C@H]17CCOC1.C[C@H]5C6.C37=O.C48=O.N36.N45 | [C][CH1][Branch][C][N][C][=Branch][=O][pop][CH1][C][C][O][C][Ring1][Branch][pop][N][C][=Branch][=O][pop][C][=C][C][=C][N][=C][Branch][O][pop][N][Branch][C][pop][C][=Branch][=C][Ring1][=C][pop][Ring1][#Branch] |
C[C@H]1[C@@H](NC(=O)c2ncc[nH]2)CCCN1CCc1cnn(C)c1 | C[C@H][C@@H]NC=O)cncc[nH]5)))))))CCCN6CCccnnC)c5 | [C][C@H1][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=N][C][=C][NH1][Ring1][Branch1][C][C][C][N][Ring1][=C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C[C@H]1[C@@H]5CCCN14.c17cnn(C)c1.c16ncc[nH]1.C36=O.C4C7.N35 | [C][CH1][CH1][Branch][N][C][=Branch][=O][pop][C][=N][C][=C][N][Ring1][Branch][pop][C][C][C][N][Branch][C][C][C][C][=N][N][Branch][C][pop][C][=Ring1][=Branch][pop][Ring1][P] |
CC(C)c1nocc1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 | CCC)cnocc5C=O)NC[C@H]CCNccccF)cc6))))))C5 | [C][C][Branch1][C][C][C][=N][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N] | c15ccc(F)cc1.c17nocc16.[C@H]18CCN5C1.CC7C.C36=O.N34.C48 | [C][C][Branch][C][pop][C][=N][O][C][=C][Branch][C][=Branch][=O][pop][N][C][CH1][C][C][N][Branch][C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch][pop][C][Ring1][#C][pop][Ring1][Branch] |
N#Cc1ccc(CCC(=O)Nc2cc(-c3nc[nH]n3)ccc2F)cc1 | N#CccccCCC=O)Nccc-cnc[nH]n5)))))ccc6F)))))))))))cc6 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][F][C][=C][Ring2][Ring1][#Branch1] | N#Cc1ccc6cc1.c15cc7ccc1F.C6CC4=O.c17nc[nH]n1.N45 | [N][#C][C][=C][C][=C][Branch][C][C][C][=Branch][=O][pop][N][C][=C][C][Branch][C][N][=C][N][N][=Ring1][Branch][pop][=C][C][=C][Branch][F][pop][Ring1][=C][pop][C][=C][Ring2][Ring1][=N] |
Cc1ccc(C(=O)NCC[C@@H]2CCCN(c3cncc(Cl)n3)C2)o1 | CccccC=O)NCC[C@@H]CCCNccnccCl)n6))))))C6))))))))))o5 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][C][N][Branch1][N][C][=C][N][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][Ring1][=N][O][Ring2][Ring1][#Branch1] | [C@@H]18CCCN6C1.c16cncc(Cl)n1.Cc1ccc7o1.C47=O.C5C8.N45 | [C][C][=C][C][=C][Branch][C][=Branch][=O][pop][N][C][C][CH1][C][C][C][N][Branch][C][=C][N][=C][C][Branch][Cl][pop][=N][Ring1][#Branch][pop][C][Ring1][S][pop][O][Ring2][Ring1][=N] |
Cc1cnn(C)c1C(=O)NC[C@@H](C)NCc1nnnn1C1CC1 | CccnnC)c5C=O)NC[C@@H]C)NCcnnnn5CCC3 | [C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring1][Ring1] | Cc1cnn(C)c16.c17nnnn18.C3[C@H]4C.C26=O.C18CC1.N23.N45.C57 | [C][C][C][=N][N][Branch][C][pop][C][Branch][C][=Branch][=O][pop][N][C][CH1][Branch][C][pop][N][C][C][=N][N][=N][N][Branch][C][C][C][Ring1][Ring1][pop][Ring1][Branch][pop][=Ring1][=Branch] |
C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCC(=O)N1 | C[C@@]CNC=O)cccc[N+]=O)[O-]))cc6O))))))))))CCC=O)N5 | [C][C@@][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | c15ccc([N+](=O)[O-])cc1O.C[C@@]16CCC(=O)N1.C35=O.C46.N34 | [C][C][Branch][C][N][C][=Branch][=O][pop][C][=C][C][=C][Branch][NH0+1][=Branch][=O][pop][OH0-1][pop][C][=C][Branch][O][pop][Ring1][N][pop][C][C][C][=Branch][=O][pop][N][Ring2][Ring1][#Branch] |
C=CCNC(=O)CNCCNC(=O)C1=COCCO1 | C=CCNC=O)CNCCNC=O)C=COCCO6 | [C][=C][C][N][C][=Branch1][C][=O][C][N][C][C][N][C][=Branch1][C][=O][C][=C][O][C][C][O][Ring1][=Branch1] | C3(=O)C1=COCCO1.C2(=O)C5.C=CC4.C6C7.N24.N56.N37 | [C][=C][C][N][C][=Branch][=O][pop][C][N][C][C][N][C][=Branch][=O][pop][C][=C][O][C][C][O][Ring1][=Branch] |
N#Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(C(=O)NCCn3ccnn3)C2)[nH]1 | N#CccccC=O)NC[C@H]C[C@@]3C=O)NCCnccnn5)))))))))C6)))))))[nH]5 | [N][#C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][C][C@@][Ring1][Ring1][Branch1][#C][C][=Branch1][C][=O][N][C][C][N][C][=C][N][=N][Ring1][Branch1][C][Ring1][S][NH1][Ring2][Ring1][#Branch1] | N#Cc1ccc7[nH]1.N14C[C@H]2C[C@@]28C1.n19ccnn1.C47=O.C58=O.C6C9.N56 | [N][#C][C][=C][C][=C][Branch][C][=Branch][=O][pop][N][C][CH1][C][C][Branch][C][=Branch][=O][pop][N][C][C][N][C][=C][N][=N][Ring1][Branch][pop][Branch][C][Ring2][Ring1][Ring1][pop][Ring1][Ring1][pop][N][Ring2][Ring1][=N] |
CCO[C@@H]1C[C@H](NC(=O)c2cncc(OC)n2)[C@@H]1OC | CCO[C@@H]C[C@H]NC=O)ccnccOC))n6))))))))[C@@H]4OC | [C][C][O][C@@H1][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Ring1][O][C][=N][Ring1][Branch2][C@@H1][Ring1][#C][O][C] | c19cncc5n1.[C@@H]16C[C@H]8[C@@H]17.C39=O.CC4.O46.N38.O5C.O7C | [C][C][O][CH1][C][CH1][Branch][N][C][=Branch][=O][pop][C][=C][N][=C][C][Branch][O][C][pop][=N][Ring1][O][pop][CH1][Branch][O][C][pop][Ring2][Ring1][C] |
O=C(N[C@@H]1COC2(C1)CN(CCO)C2)[C@H]1CCS(=O)(=O)C1 | O=CN[C@@H]COCC5)CNCCO)))C4))))))))[C@H]CCS=O)=O)C5 | [O][=C][Branch2][Ring1][Branch1][N][C@@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][Ring2][C][C][O][C][Ring1][Branch2][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] | [C@@H]15COC2(C1)CN4C2.[C@H]16CCS(=O)(=O)C1.O=C36.C4CO.N35 | [O][=C][Branch][N][CH1][C][O][C][Branch][C][Ring1][Branch][pop][C][N][Branch][C][C][O][pop][C][Ring1][O][pop][CH1][C][C][S][=Branch][=O][pop][=Branch][=O][pop][C][Ring1][#Branch] |
NC(=O)CNC(=O)CNS(=O)(=O)c1nccs1 | NC=O)CNC=O)CNS=O)=O)cnccs5 | [N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][S][Ring1][Branch1] | S5(=O)(=O)c1nccs1.NC(=O)C3.C2(=O)C4.N23.N45 | [N][C][=Branch][=O][pop][C][N][C][=Branch][=O][pop][C][N][S][=Branch][=O][pop][=Branch][=O][pop][C][=N][C][=C][S][Ring1][Branch] |
CCCC[C@H]1C[C@@H](N2CC[C@H]3CN[C@H]3C2)CCN1 | CCCC[C@H]C[C@@H]NCC[C@H]CN[C@H]4C8))))))))CCN6 | [C][C][C][C][C@H1][C][C@@H1][Branch1][=N][N][C][C][C@H1][C][N][C@H1][Ring1][Ring2][C][Ring1][Branch2][C][C][N][Ring1][=C] | N14CC[C@H]2CN[C@H]2C1.[C@H]15C[C@@H]4CCN1.CCCC5 | [C][C][C][C][CH1][C][CH1][Branch][N][C][C][CH1][C][N][CH1][Branch][C][Ring1][O][pop][Ring1][Ring2][pop][C][C][N][Ring1][P] |
CC[C@@H](C(=O)OC)N1CCN(C(=O)CN2CC(=O)NC2=O)CC1 | CC[C@@H]C=O)OC)))NCCNC=O)CNCC=O)NC5=O))))))))CC6 | [C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][C][Ring1][S] | N15CCN4CC1.N16CC(=O)NC1=O.CC[C@H]5C3=O.C4(=O)C6.O3C | [C][C][CH1][Branch][C][=Branch][=O][pop][O][C][pop][N][C][C][N][Branch][C][=Branch][=O][pop][C][N][C][C][=Branch][=O][pop][N][C][=Branch][=O][pop][Ring1][=Branch][pop][C][C][Ring2][Ring1][Ring1] |
CNC[C@@H](C)NC(=O)C(=O)N[C@H](C)c1cnn(C(C)C)c1 | CNC[C@@H]C)NC=O)C=O)N[C@H]C)ccnnCC)C))c5 | [C][N][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2] | c18cnn7c1.C2(=O)C3=O.C4[C@H]5C.[C@H]68C.C7(C)C.CN4.N25.N36 | [C][N][C][CH1][Branch][C][pop][N][C][=Branch][=O][pop][C][=Branch][=O][pop][N][CH1][Branch][C][pop][C][C][=N][N][Branch][C][Branch][C][pop][C][pop][C][=Ring1][O] |
C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CN(C(=O)CC2(O)CCC2)C1 | C[C@@H]NC=O)[C@@H]CCNC5=O))))))))CCNC=O)CCO)CCC4))))))C4 | [C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C@@H1][C][C][N][C][Ring1][Branch1][=O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][Ring1][N] | [C@@H]16CCNC1=O.C17CN4C1.C18(O)CCC1.C4(=O)C8.C[C@@H]57.C36=O.N35 | [C][CH1][Branch][N][C][=Branch][=O][pop][CH1][C][C][N][C][=Branch][=O][pop][Ring1][Branch][pop][C][C][N][Branch][C][=Branch][=O][pop][C][C][Branch][O][pop][C][C][C][Ring1][Branch][pop][C][Ring1][#C] |
N[C@H]1C[C@@H]2CN(C(=O)NCC(=O)N3CCCCC3)CCN2C1=O | N[C@H]C[C@@H]CNC=O)NCC=O)NCCCCC6))))))))))CCN6C9=O | [N][C@H1][C][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=O] | N[C@H]1C[C@@H]2CN4CCN2C1=O.N16CCCCC1.C7C6=O.C45=O.N57 | [N][CH1][C][CH1][C][N][Branch][C][=Branch][=O][pop][N][C][C][=Branch][=O][pop][N][C][C][C][C][C][Ring1][=Branch][pop][C][C][N][Branch][C][=Branch][=O][pop][Ring2][Ring1][O][pop][Ring2][Ring1][Branch] |
CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 | CCCNCC[C@H]NC=O)cccCN)=O))ccn6))))))))[C@H]O)C6 | [C][C][C][N][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=N][Ring1][=Branch2][C@H1][Branch1][C][O][C][Ring2][Ring1][Ring1] | N14CC[C@H]5[C@H](O)C1.c16cc7ccn1.CCC4.C36=O.C7(N)=O.N35 | [C][C][C][N][C][C][CH1][Branch][N][C][=Branch][=O][pop][C][=C][C][Branch][C][Branch][N][pop][=O][pop][=C][C][=N][Ring1][N][pop][CH1][Branch][O][pop][C][Ring2][Ring1][=Branch] |
Cc1c[nH]cc1C(=O)N1CC[C@@H](NC(=O)CC(C)(C)C)C1 | Ccc[nH]cc5C=O)NCC[C@@H]NC=O)CCC)C)C)))))C5 | [C][C][=C][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N] | C3(=O)CC(C)(C)C.Cc1c[nH]cc15.N12CC[C@@H]4C1.C25=O.N34 | [C][C][=C][N][C][=C][Branch][C][=Branch][=O][pop][N][C][C][CH1][Branch][N][C][=Branch][=O][pop][C][C][Branch][C][pop][Branch][C][pop][C][pop][C][Ring1][S][pop][Ring1][Branch] |
CCCNC(=O)CN(CCC)S(=O)(=O)c1cn(C)c(=O)nc1O | CCCNC=O)CNCCC)))S=O)=O)ccnC)c=O)nc6O | [C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring1][Branch2][O] | S6(=O)(=O)c1cn(C)c(=O)nc1O.C2(=O)C4.CCC3.N456.C5CC.N23 | [C][C][C][N][C][=Branch][=O][pop][C][N][Branch][C][C][C][pop][S][=Branch][=O][pop][=Branch][=O][pop][C][=C][N][Branch][C][pop][C][=Branch][=O][pop][N][=C][Branch][O][pop][Ring1][O] |
CCOCC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 | CCOCC[C@@H]C)NCCNC=O)OCC)C)C))))[C@H]C#N))C6 | [C][C][O][C][C][C@@H1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][Ring1][C][#N][C][Ring1][#C] | N17CCN3[C@H](C#N)C1.C5C[C@H]7C.C6(C)(C)C.C23=O.CC4.O45.O26 | [C][C][O][C][C][CH1][Branch][C][pop][N][C][C][N][Branch][C][=Branch][=O][pop][O][C][Branch][C][pop][Branch][C][pop][C][pop][CH1][Branch][C][#N][pop][C][Ring2][Ring1][C] |
CC1(C)CN(CN2CCN(CC(N)=O)C(=O)C2)C(=O)O1 | CCC)CNCNCCNCCN)=O)))C=O)C6)))))))C=O)O5 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][Ring1][O][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1] | C3N1CCN4C(=O)C1.CC1(C)CN3C(=O)O1.C4C(N)=O | [C][C][Branch][C][pop][C][N][Branch][C][N][C][C][N][Branch][C][C][Branch][N][pop][=O][pop][C][=Branch][=O][pop][C][Ring1][=C][pop][C][=Branch][=O][pop][O][Ring2][Ring1][=Branch] |
COC1(CCN2CC[C@]3(C(=O)O)CCCCC[C@H]23)CCC1 | COCCCNCC[C@]C=O)O))CCCCC[C@H]%107))))))))))))CCC4 | [C][O][C][Branch2][Ring1][Branch2][C][C][N][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C@H1][Ring1][=N][Ring1][#Branch2][C][C][C][Ring2][Ring1][Ring1] | N15CC[C@]26CCCCC[C@H]12.C147CCC1.C7C5.C6(=O)O.CO4 | [C][O][C][Branch][C][C][N][C][C][C][Branch][C][=Branch][=O][pop][O][pop][C][C][C][C][C][CH1][Ring1][S][Ring1][=N][pop][C][C][C][Ring2][Ring1][=Branch] |
C[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 | C[C@@H]CCNC=O)CN)=O))))))NC=O)[C@H]CC=O)NC)C5 | [C][C@@H1][Branch1][=N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1] | [C@H]16CC(=O)N(C)C1.C[C@H]4CC5.C2(=O)C(N)=O.C36=O.N25.N34 | [C][CH1][Branch][C][C][N][C][=Branch][=O][pop][C][Branch][N][pop][=O][pop][N][C][=Branch][=O][pop][CH1][C][C][=Branch][=O][pop][N][Branch][C][pop][C][Ring1][#Branch] |
Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)co1 | CcncC=O)NC[C@@H]CCNC=O)[C@@H]C)C#N))))C5))))))))co5 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][#N][C][Ring1][O][=C][O][Ring2][Ring1][Ring2] | Cc1nc6co1.[C@@H]17CCN4C1.C4(=O)[C@@H](C)C#N.C36=O.N35.C57 | [C][C][=N][C][Branch][C][=Branch][=O][pop][N][C][CH1][C][C][N][Branch][C][=Branch][=O][pop][CH1][Branch][C][pop][C][#N][pop][C][Ring1][=C][pop][=C][O][Ring2][Ring1][#Branch] |
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