SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CSc1cc(C(=O)N2CCC(O)(CNC(=O)[C@H]3CCCSC3)CC2)ccc1N
|
CScccC=O)NCCCO)CNC=O)[C@H]CCCSC6)))))))))CC6)))))))ccc6N
|
[C][S][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][#C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][S][C][Ring1][=Branch1][C][C][Ring1][P][=C][C][=C][Ring2][Ring1][=Branch2][N]
|
c1%10cc8ccc1N.N14CCC9(O)CC1.[C@H]17CCCSC1.C48=O.C57=O.CS%10.C69.N56
|
C=C(C)COCC(=O)N[C@@H]1CCN(C(=O)Cn2cc(C3CCC3)nn2)C[C@@H]1C
|
C=CC)COCC=O)N[C@@H]CCNC=O)CnccCCCC4))))nn5)))))))C[C@@H]6C
|
[C][=C][Branch1][C][C][C][O][C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][=N][Ring1][=Branch2][C][C@@H1][Ring2][Ring1][C][C]
|
[C@@H]18CCN5C[C@@H]1C.n19cc%10nn1.C=C(C)C6.C7C4=O.C5(=O)C9.C1%10CCC1.O67.N48
|
CCSCC(=O)N1CCC[C@@H](C2CN(C(=O)c3cnc(N)c(Br)c3)C2)C1
|
CCSCC=O)NCCC[C@@H]CCNC=O)ccncN)cBr)c6)))))))C4))))C6
|
[C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][C][Branch1][C][Br][=C][Ring1][Branch2][C][Ring1][=C][C][Ring2][Ring1][Ring2]
|
N14CCC[C@@H](C2CN5C2)C1.c18cnc(N)c(Br)c1.C7C4=O.C58=O.CC6.S67
|
Cc1cnc(C(=O)N2CC3(C[C@@H](NC(=O)c4c(C)ccn4C)CO3)C2)c(Br)c1
|
CccncC=O)NCCC[C@@H]NC=O)ccC)ccn5C))))))))CO5))))C4)))))cBr)c6
|
[C][C][=C][N][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][N][Ring1][=Branch1][C][C][O][Ring1][#C][C][Ring2][Ring1][C][C][Branch1][C][Br][=C][Ring2][Ring1][O]
|
N15CC2(C[C@@H]7CO2)C1.Cc1cnc8c(Br)c1.c19c(C)ccn1C.C58=O.C69=O.N67
|
CC(C)(C)OC(=O)N1CC2(C1)CC1(CC(CN3[C@H]4CCC[C@H]3CC4)C1)C2
|
CCC)C)OC=O)NCCC4)CCCCCN[C@H]CCC[C@H]6CC7)))))))))C4)))C4
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch2][Ring1][Branch1][C][C][Branch1][=C][C][N][C@H1][C][C][C][C@H1][Ring1][=Branch1][C][C][Ring1][#Branch1][C][Ring1][=N][C][Ring1][P]
|
N16CC2(C1)CC1(CC9C1)C2.N18[C@H]2CCC[C@H]1CC2.CC7(C)C.C56=O.O57.C89
|
CCOC(=O)[C@@H](F)C(=O)N1CCC[C@]2(CCCN2C(=O)C[C@@H]2CC[C@H](O)C2)C1
|
CCOC=O)[C@@H]F)C=O)NCCC[C@]CCCN5C=O)C[C@@H]CC[C@H]O)C5)))))))))))C6
|
[C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][C@][Branch2][Ring1][=Branch1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C@@H1][C][C][C@H1][Branch1][C][O][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1]
|
N14CCC[C@]2(CCCN25)C1.C3(=O)[C@@H](F)C4=O.[C@@H]17CC[C@H](O)C1.C5(=O)C7.CC6.O36
|
Cc1c(C(=O)NC2[C@@H]3CC(NC(=O)C4=C[C@]5(CCOC5)C4)C[C@@H]23)ncn1C
|
CccC=O)NC[C@@H]CCNC=O)C=C[C@]CCOC5))))C4))))))C[C@@H]65))))))))ncn5C
|
[C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C@][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][Branch2][C][C@@H1][Ring1][P][Ring1][S][N][=C][N][Ring2][Ring1][=Branch2][C]
|
C7(=O)C1=C[C@]2(CCOC2)C1.Cc1c%10ncn1C.C18[C@@H]2CC9C[C@@H]12.C6%10=O.N68.N79
|
CCOC(=O)CCN(C)C(=O)C[C@H]1COCCN1C(=O)c1ccccc1NC
|
CCOC=O)CCNC)C=O)C[C@H]COCCN6C=O)cccccc6NC
|
[C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C]
|
[C@H]19COCCN14.c18ccccc17.C2(=O)CC6.C3(=O)C9.N36C.C48=O.CC5.O25.N7C
|
CN(C)[C@@H](C(=O)N1CCN(C(=O)C2(F)CC=CC2)CC1)c1ccccc1Cl
|
CNC)[C@@H]C=O)NCCNC=O)CF)CC=CC5))))))CC6)))))))cccccc6Cl
|
[C][N][Branch1][C][C][C@@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][C][F][C][C][=C][C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
N13CCN4CC1.c17ccccc1Cl.C16(F)CC=CC1.[C@@H]57C3=O.CN5C.C46=O
|
O=C(NC1C[C@H]2CN(C(=O)CC3CCOCC3)C[C@@H]2C1)c1ncc2ccccn12
|
O=CNCC[C@H]CNC=O)CCCCOCC6))))))))C[C@@H]5C8)))))))))cnccccccn96
|
[O][=C][Branch2][Ring1][=N][N][C][C][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][O][C][C][Ring1][=Branch1][C][C@@H1][Ring1][=C][C][Ring1][P][C][=N][C][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1]
|
C16C[C@H]2CN5C[C@@H]2C1.c17ncc2ccccn12.C18CCOCC1.C5(=O)C8.O=C47.N46
|
CN(CC1CN(C(=O)c2cccc(CCO)c2)C1)c1ncncc1C#N
|
CNCCCNC=O)cccccCCO)))c6)))))))C4)))))cncncc6C#N
|
[C][N][Branch2][Ring1][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][C][C][O][=C][Ring1][=Branch2][C][Ring1][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][#N]
|
c15ncncc1C#N.c16cccc8c1.C17CN3C1.CN45.C36=O.C8CO.C47
|
CC(=O)OCCNC(=O)C1=CC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1
|
CC=O)OCCNC=O)C=CC[C@@H]NC=O)[C@@H]CCCF)F)C5)))))))C5
|
[C][C][=Branch1][C][=O][O][C][C][N][C][=Branch1][C][=O][C][=C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][Ring1][#C]
|
C4(=O)C1=CC[C@@H]8C1.[C@@H]19CCC(F)(F)C1.CC3=O.C6C7.C59=O.O36.N47.N58
|
COCCC(=O)N[C@]1(C(=O)N[C@H](CCO)C(C)(C)C)C[C@H](O)C1
|
COCCC=O)N[C@]C=O)N[C@H]CCO)))CC)C)C)))))C[C@H]O)C4
|
[C][O][C][C][C][=Branch1][C][=O][N][C@][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch1][Ring2][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Ring1][S]
|
[C@@H]6(CCO)C(C)(C)C.[C@]157C[C@@H](O)C1.C4CC2=O.C37=O.CO4.N25.N36
|
O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1)c1ccc2c(n1)CCCN2
|
O=CNCCCNC=O)[C@@H]C[C@H]3ccccs5)))))))))CC6)))))))cccccn6)CCCN6
|
[O][=C][Branch2][Ring1][N][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1]
|
c16ccc2c(n1)CCCN2.C15CCN4CC1.c18cccs1.[C@@H]17C[C@H]18.O=C36.C47=O.N35
|
C=Cc1ccc(C(=O)N2CC[C@H](N(CC)C(=O)c3n[nH]c4ccccc34)C2)cc1
|
C=CccccC=O)NCC[C@H]NCC))C=O)cn[nH]cccccc96)))))))))))C5))))))cc6
|
[C][=C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][#Branch1][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O]
|
c19n[nH]c2ccccc12.C=Cc1ccc%10cc1.N15CC[C@H]8C1.C5%10=O.N678.C69=O.C7C
|
C#C[C@]1(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CCN(C(=O)c2ccc(O)cc2)C1
|
C#C[C@]C=O)N[C@H][C@@H]COC[C@@H]56))))))))CCNC=O)ccccO)cc6)))))))C5
|
[C][#C][C@][Branch1][S][C][=Branch1][C][=O][N][C@H1][C@@H1][C][O][C][C@@H1][Ring1][Branch1][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1]
|
C#C[C@]17CCN5C1.c18ccc(O)cc1.[C@@H]16[C@H]2COC[C@@H]12.C47=O.C58=O.N46
|
CCS(=O)(=O)NCC(=O)N[C@]1(C)C[C@H](NC(=O)CS(N)(=O)=O)C1
|
CCS=O)=O)NCC=O)N[C@]C)C[C@H]NC=O)CSN)=O)=O)))))C4
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][Ring1][=N]
|
C3(=O)CS(N)(=O)=O.[C@]15(C)C[C@@H]7C1.CCS6(=O)=O.C4C2=O.N46.N25.N37
|
C#Cc1ccc(F)c(C(=O)N[C@@H](C)[C@@H](NC(=O)c2ncoc2C2CC2)C(C)C)c1
|
C#CccccF)cC=O)N[C@@H]C)[C@@H]NC=O)cncoc5CCC3))))))))))CC)C))))))c6
|
[C][#C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]
|
C#Cc1ccc(F)c8c1.[C@H]5(C)[C@@H]6C(C)C.c17ncoc19.C38=O.C47=O.C19CC1.N35.N46
|
Cc1nc(N2CC(OCCNC(=O)[C@]3(C)CCC(=O)NC3)C2)ccc1C#N
|
CcncNCCOCCNC=O)[C@]C)CCC=O)NC6)))))))))))C4))))ccc6C#N
|
[C][C][=N][C][Branch2][Ring1][P][N][C][C][Branch2][Ring1][#Branch1][O][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][Branch2][C][#N]
|
Cc1nc8ccc1C#N.[C@@]19(C)CCC(=O)NC1.N18CC6C1.C5C7.C49=O.O56.N47
|
CC(C)OCC(=O)NC1(CNC(=O)c2c(Br)ncn2C)CC1
|
CCC)OCC=O)NCCNC=O)ccBr)ncn5C)))))))))CC3
|
[C][C][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Br][N][=C][N][Ring1][=Branch1][C][C][C][Ring1][=C]
|
c19c(Br)ncn1C.C6C3=O.C17%10CC1.CC5C.C49=O.O56.N37.C8%10.N48
|
CC(C)(O)CC(=O)N[C@H]1CCCOC12CCN(C(=O)C1CC(C3CCC3)C1)CC2
|
CCC)O)CC=O)N[C@H]CCCOC6CCNC=O)CCCCCCC4))))C4)))))CC6
|
[C][C][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][Ring1][Branch2][C][C][Ring1][S]
|
[C@H]16CCCOC12CCN5CC2.C17CC(C2CCC2)C1.CC(C)(O)CC4=O.C57=O.N46
|
O=C(CSCc1ccncc1)N1CCN(C(=O)c2cncnc2)C[C@H](O)C1
|
O=CCSCcccncc6)))))))))NCCNC=O)ccncnc6)))))))C[C@H]O)C7
|
[O][=C][Branch1][N][C][S][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C@H1][Branch1][C][O][C][Ring1][S]
|
N13CCN4C[C@H](O)C1.c18ccncc1.c17cncnc1.O=C3C5.C47=O.S56.C68
|
C[C@H]1CCc2[nH]c(=NCCC(=O)N(C)C)[nH]c(=N[C@H](C)c3ccco3)c2C1
|
C[C@H]CCc[nH]c=NCCC=O)NC)C))))))[nH]c=N[C@H]C)cccco5)))))))c6C%10
|
[C][C@H1][C][C][C][NH1][C][=Branch1][=N][=N][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][NH1][C][=Branch1][=N][=N][C@H1][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2]
|
C[C@H]1CCc2[nH]c(=NCCC4=O)[nH]c(=N[C@@H]5C)c2C1.c15ccco1.N4(C)C
|
CC(C)(C)OCCCC(=O)N1CC(=O)NC[C@H]1C(=O)NC[C@@H](CO)C1CCC1
|
CCC)C)OCCCC=O)NCC=O)NC[C@H]6C=O)NC[C@@H]CO))CCCC4
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][C][O][C][C][C][C][Ring1][Ring2]
|
N12CC(=O)NC[C@H]17.C5CCC2=O.C6[C@H]8CO.CC4(C)C.C18CCC1.C37=O.O45.N36
|
CC(C)(CCC#N)C(=O)N[C@@H](CNC(=O)C=C1CN2CCC1CC2)C1CC1
|
CCC)CCC#N))))C=O)N[C@@H]CNC=O)C=CCNCCC6CC6))))))))))))CCC3
|
[C][C][Branch1][C][C][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1]
|
CC(C)(CCC#N)C3=O.C1=7CN2CCC1CC2.[C@@H]58C6.C4(=O)C=7.C18CC1.N35.N46
|
CC[C@@H](C)[C@H](C(=O)NCCn1cc(C)cn1)N(C)C(=O)c1ccc(CO)s1
|
CC[C@@H]C)[C@H]C=O)NCCnccC)cn5)))))))))NC)C=O)ccccCO))s5
|
[C][C][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][S][Ring1][#Branch1]
|
CC[C@@H](C)[C@@H]4C2=O.n17cc(C)cn1.c16ccc8s1.C5C7.N34C.C36=O.N25.C8O
|
CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1
|
CCCNC)CC=O)N[C@@H]CCCNC=O)CCccccF)cc6)))))))))C6
|
[C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P]
|
[C@@H]17CCCN4C1.c18ccc(F)cc1.C4(=O)CC8.C6C3=O.CCC5.N56C.N37
|
FC[C@H](N=c1[nH]c(=NCC[C@@H]2CCCN2)[nH]c2c1COC2)c1ccccc1F
|
FC[C@H]N=c[nH]c=NCC[C@@H]CCCN5))))))))[nH]cc6COC5))))))))))cccccc6F
|
[F][C][C@H1][Branch2][Ring1][O][N][=C][NH1][C][=Branch1][O][=N][C][C][C@@H1][C][C][C][N][Ring1][Branch1][NH1][C][=C][Ring1][=C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
FC[C@@H]4N=c1[nH]c(=NCC3)[nH]c2c1COC2.c14ccccc1F.[C@@H]13CCCN1
|
C=C(Cl)CCC(=O)N1CCC[C@@]12CCN(C(=O)Cc1ccc(F)cc1CC)C2
|
C=CCl)CCC=O)NCCC[C@@]5CCNC=O)CccccF)cc6CC))))))))))C5
|
[C][=C][Branch1][C][Cl][C][C][C][=Branch1][C][=O][N][C][C][C][C@@][Ring1][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][P]
|
N13CCC[C@@]12CCN4C2.c15ccc(F)cc16.C=C(Cl)CCC3=O.C4(=O)C5.C6C
|
C[C@@H]1CN(C(=O)[C@@H]2CC23CC(F)(F)C3)CCN1C(=O)CCCn1ccnn1
|
C[C@@H]CNC=O)[C@@H]CC3CCF)F)C4)))))))CCN6C=O)CCCnccnn5
|
[C][C@@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][C][N][Ring1][S][C][=Branch1][C][=O][C][C][C][N][C][=C][N][=N][Ring1][Branch1]
|
C[C@@H]1CN4CCN15.[C@@H]16CC12CC(F)(F)C2.C5(=O)CCC7.n17ccnn1.C46=O
|
[N-]=[N+]=NCCCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)c2ccc(C3CC3)o2)C1
|
[N-]=[N+]=NCCCC=O)N[C@H]C[C@@H]F)CNC=O)ccccCCC3)))o5))))))C6
|
[N-1][=N+1][=N][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch1][C][F][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C][Ring1][P]
|
[N-]=[N+]=NCCCC4=O.[C@H]16C[C@@H](F)CN5C1.c17ccc8o1.C57=O.C18CC1.N46
|
CCCc1nnsc1C(=O)N1CCC[C@@H](NC(=O)c2cnc3ccsc3c2)C1
|
CCCcnnsc5C=O)NCCC[C@@H]NC=O)ccncccsc5c9)))))))))))C6
|
[C][C][C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
c18cnc2ccsc2c1.N14CCC[C@@H]6C1.c19nnsc17.CCC9.C47=O.C58=O.N56
|
C=C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)c1cn(C)nn1)c1ccccc1
|
C=C[C@@H]C=O)NC[C@@H]COCCN6C=O)ccnC)nn5)))))))))))))))cccccc6
|
[C][=C][C@@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@@H]16COCCN13.C=C[C@H]7C2=O.c15cn(C)nn1.c17ccccc1.C35=O.N24.C46
|
C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)NC(=O)C=Cc1cccnc1
|
C[C@H]CNC=O)[C@@H]CCCO[C@H]6C))))))))))NC=O)C=Cccccnc6
|
[C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][O][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
[C@@H]16CCCO[C@H]1C.C=7c1cccnc1.C[C@@H]4C5.C3(=O)C=7.C26=O.N25.N34
|
C[C@@H](C#N)NC(=O)[C@H](C)C1CCN(Cc2cccc3c2ccn3C)CC1
|
C[C@@H]C#N))NC=O)[C@H]C)CCCNCcccccc6ccn5C)))))))))))CC6
|
[C][C@@H1][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][C][N][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C][C][C][Ring1][P]
|
c18cccc2c1ccn2C.C17CCN6CC1.C4(=O)[C@@H]7C.C[C@H]5C#N.N45.C68
|
CCCCONC(=O)[C@@H](NC(=O)c1cn(C2CC2)cn1)c1cccs1
|
CCCCONC=O)[C@@H]NC=O)ccnCCC3)))cn5)))))))ccccs5
|
[C][C][C][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1]
|
O4NC(=O)[C@@H]57.c16cn8cn1.c17cccs1.CCCC4.C36=O.C18CC1.N35
|
CO[C@H](CC(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](C)[C@H](C)F)c1ccccc1
|
CO[C@H]CCC)C)C)))C=O)N[C@H]C=O)N[C@H]C)[C@H]C)F)))))cccccc6
|
[C][O][C@H1][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@H1][Branch1][C][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@@H]4(CC(C)(C)C)C2=O.c17ccccc1.[C@H]57C3=O.[C@@H]6(C)[C@H](C)F.CO4.N25.N36
|
Cc1ccnc2[nH]c(COC(=O)c3ncccc3OC(F)(F)[C@H](F)Cl)nc12
|
Ccccnc[nH]cCOC=O)cncccc6OCF)F)[C@H]F)Cl)))))))))))))nc95
|
[C][C][=C][C][=N][C][NH1][C][Branch2][Ring1][N][C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][C@H1][Branch1][C][F][Cl][=N][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][=Branch1]
|
Cc1ccnc2[nH]c9nc12.c18ncccc17.C6(F)(F)[C@H](F)Cl.C48=O.C59.O45.O67
|
C[C@H]1CC[C@@H](C(=O)NCc2[nH]ccc(=O)c2O)N1C(=O)c1n[nH]c2ccccc12
|
C[C@H]CC[C@@H]C=O)NCc[nH]ccc=O)c6O))))))))))N5C=O)cn[nH]cccccc96
|
[C][C@H1][C][C][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][NH1][C][=C][C][=Branch1][C][=O][C][=Ring1][#Branch1][O][N][Ring1][P][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
c17n[nH]c2ccccc12.c18[nH]ccc(=O)c1O.C[C@H]1CC[C@@H]6N14.C36=O.C47=O.N35.C58
|
Cc1nc(CN2C[C@H]3C[C@H]2[C@@H]3C(=O)Nc2cccnc2C(C)C)co1
|
CcncCNC[C@H]C[C@H]5[C@@H]4C=O)Nccccnc6CC)C)))))))))))))))))co5
|
[C][C][=N][C][Branch2][Ring1][=C][C][N][C][C@H1][C][C@H1][Ring1][Branch1][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][O][Ring2][Ring1][Branch2]
|
N15C[C@H]2C[C@H]1[C@@H]27.c16cccnc19.Cc1nc8co1.C47=O.C9(C)C.C58.N46
|
CCC(C)(C)OCCNC(=O)C1CC2(CC(NC(=O)C(C)(C)C(C)(C)O)C2)C1
|
CCCC)C)OCCNC=O)CCCCCNC=O)CC)C)CC)C)O)))))C4)))C4
|
[C][C][C][Branch1][C][C][Branch1][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][=N][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=C][C][Ring1][P]
|
C4(=O)C(C)(C)C(C)(C)O.C19CC2(CC8C2)C1.CCC5(C)C.C6C7.C39=O.O56.N37.N48
|
C#CC[C@H](C(=O)N1CC[C@]2(C[C@H]2C(=O)N2CCc3nc[nH]c3C2)C1)C1CC1
|
C#CC[C@H]C=O)NCC[C@]C[C@H]3C=O)NCCcnc[nH]c5C9))))))))))))C5))))))CCC3
|
[C][#C][C][C@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][=Branch1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][N][=C][NH1][C][=Ring1][Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][C][C][C][C][Ring1][Ring1]
|
N15CCc2nc[nH]c2C1.N14CC[C@]2(C[C@H]26)C1.C#CC[C@@H]7C4=O.C56=O.C17CC1
|
COCc1noc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)C2(C(C)=O)CC2)n1
|
COCcnocC=O)N[C@H]C)C[C@@H]C)NC=O)CCC)=O))CC3))))))))))n5
|
[C][O][C][C][=N][O][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1]
|
c1%11noc8n1.[C@@H]6(C)C[C@H]7C.C19%10CC1.C38=O.C49=O.C%10(C)=O.CO5.C5%11.N36.N47
|
COCCOCC(=O)N1CC[C@@H](NC(=O)c2ccc(OC)c(C3CC3)c2)[C@H](C)C1
|
COCCOCC=O)NCC[C@@H]NC=O)ccccOC))cCCC3)))c6))))))))[C@H]C)C6
|
[C][O][C][C][O][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][O][C@H1][Branch1][C][C][C][Ring2][Ring1][Branch1]
|
N14CC[C@@H]%10[C@H](C)C1.c1%11ccc9c%12c1.C8C4=O.C6C7.C5%11=O.C1%12CC1.CO6.O78.N5%10.O9C
|
COc1cc(CC(=O)NC[C@H](O)CN(C)C(=O)C#C[C@@H]2CCCOC2)ccc1O
|
COcccCC=O)NC[C@H]O)CNC)C=O)C#C[C@@H]CCCOC6))))))))))))))))ccc6O
|
[C][O][C][=C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][#C][C@@H1][C][C][C][O][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch2][O]
|
C4(=O)C#C[C@@H]1CCCOC1.c15cc8ccc1O.C6[C@H](O)C7.C8C3=O.N47C.CO5.N36
|
Cc1ccc(CCNC(=O)[C@H]2CCN3CCC[C@@H]3C2)c2ccccc12
|
CccccCCNC=O)[C@H]CCNCCC[C@@H]5C9)))))))))))))cccccc%106
|
[C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][N][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1]
|
Cc1ccc7c2ccccc12.[C@H]16CCN2CCC[C@@H]2C1.C7C5.C46=O.N45
|
C=C[C@H](CC(=O)N[C@@H]1CN(C(=O)CCC=C(C)C)CC(C)(C)C1)c1ccccc1
|
C=C[C@H]CC=O)N[C@@H]CNC=O)CCC=CC)C))))))CCC)C)C6)))))))))cccccc6
|
[C][=C][C@H1][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@@H]14CN3CC(C)(C)C1.C=C[C@@H]6CC2=O.C3(=O)CCC=5.c16ccccc1.C=5(C)C.N24
|
CSC[C@H]1CCN(C(=NC(C)C)N[C@@H]2C[C@H]2c2ccccc2F)C1
|
CSC[C@H]CCNC=NCC)C)))N[C@@H]C[C@H]3cccccc6F))))))))))))C5
|
[C][S][C][C@H1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][#Branch1][=N][C][Branch1][C][C][C][N][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Branch1]
|
[C@H]15CCN(C(=NC(C)C)N4)C1.c16ccccc1F.[C@@H]14C[C@H]16.CS3.C35
|
CCc1ccccc1C(=O)N1C[C@H]2CC[C@@](C(=O)Nc3ccc(O)c(F)c3)(C2)C1
|
CCcccccc6C=O)NC[C@H]CC[C@@]C=O)NccccO)cF)c6))))))))C5)C7
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2][Branch1][Ring2][C][Ring1][S][C][Ring2][Ring1][Ring1]
|
N14C[C@H]2CC[C@@]7(C2)C1.c16ccc(O)c(F)c1.c19ccccc18.C48=O.C57=O.CC9.N56
|
CN(CCCCCC(=O)N[C@H]1CC[C@@H]([N+](=O)[O-])CC1)C(=O)[C@@]1(C)C[C@H]2C[C@H]2C1
|
CNCCCCCC=O)N[C@H]CC[C@@H][N+]=O)[O-]))CC6)))))))))))))C=O)[C@@]C)C[C@H]C[C@H]3C6
|
[C][N][Branch2][Ring1][#Branch2][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][=Branch2][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C@H1][C][C@H1][Ring1][Ring1][C][Ring1][#Branch1]
|
[C@H]16CC[C@@H]([N+](=O)[O-])CC1.C5CCCCC3=O.[C@]17(C)C[C@H]2C[C@H]2C1.CN45.C47=O.N36
|
C[C@@H]1[C@H]2C[C@H]([C@H]2NC(=O)c2cnn(C)c2Br)N1C(=O)c1cnn(C)c1N
|
C[C@@H][C@H]C[C@H][C@H]4NC=O)ccnnC)c5Br)))))))))N5C=O)ccnnC)c5N
|
[C][C@@H1][C@H1][C][C@H1][Branch2][Ring1][Ring2][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Br][N][Ring1][S][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N]
|
C[C@@H]1[C@H]2C[C@H]([C@H]25)N14.c16cnn(C)c1Br.c17cnn(C)c1N.C36=O.C47=O.N35
|
CC[C@@](C)(O)C(=O)N1CCCC[C@]2(CCN(C(=O)CC(F)(F)Cl)C2)C1
|
CC[C@@]C)O)C=O)NCCCC[C@]CCNC=O)CCF)F)Cl))))C5))))C7
|
[C][C][C@@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][C@][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][Cl][C][Ring1][N][C][Ring2][Ring1][C]
|
N13CCCC[C@]2(CCN4C2)C1.CC[C@@](C)(O)C3=O.C4(=O)CC(F)(F)Cl
|
CCCCCOCC(=O)N[C@@H]1CN(C(=O)CCc2nc[nH]n2)[C@@](C)(COC)C1
|
CCCCCOCC=O)N[C@@H]CNC=O)CCcnc[nH]n5))))))))[C@@]C)COC)))C5
|
[C][C][C][C][C][O][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][N][=C][NH1][N][=Ring1][Branch1][C@@][Branch1][C][C][Branch1][Ring2][C][O][C][C][Ring2][Ring1][C]
|
[C@@H]18CN4[C@]9(C)C1.CCCCC5.C4(=O)CC%10.c1%10nc[nH]n1.C6C3=O.O56.N38.C79.O7C
|
COCCCCCN1CC[C@H](CCNC(=O)C2CCCC2)C1
|
COCCCCCNCC[C@H]CCNC=O)CCCCC5)))))))))C5
|
[C][O][C][C][C][C][C][N][C][C][C@H1][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][Ring1][#C]
|
C4CCCC5.N15CC[C@H]8C1.C17CCCC1.C8C6.C37=O.CO4.N36
|
COc1c(C(=O)NC[C@H](F)CNC(=O)c2cnc(Cl)[nH]2)c(C)nn1C
|
COccC=O)NC[C@H]F)CNC=O)ccncCl)[nH]5))))))))))))cC)nn5C
|
[C][O][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][NH1][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring2][Ring1][=Branch1][C]
|
c15c9c(C)nn1C.c18cnc(Cl)[nH]1.C6[C@H](F)C7.C39=O.C48=O.CO5.N36.N47
|
Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CC2C(C)(C)C2(C)C)C3)c(C(C)C)n1
|
CccccC=O)N[C@@H][C@H]C[C@@H]4NC=O)CCCC)C)C3C)C))))))C5))))))))cCC)C))n6
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@@H1][C@H1][C][C@@H1][Ring1][Ring2][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][Ring1][#C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][N]
|
Cc1ccc7c8n1.[C@@H]16[C@H]2C[C@@H]1N5C2.C19C(C)(C)C1(C)C.C5(=O)C9.C47=O.C8(C)C.N46
|
CCC(CC)CC(=O)N[C@@H](CO)CNC(=O)CCSc1ccc(F)c(F)c1
|
CCCCC))CC=O)N[C@@H]CO))CNC=O)CCSccccF)cF)c6
|
[C][C][C][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]
|
CCC(CC)CC2=O.c17ccc(F)c(F)c1.[C@@H]4(C5)CO.C3(=O)CC6.N24.N35.S67
|
CCCc1nc(C)c(C(=O)N2CCN(C(=O)C[C@@H](C)CC(F)(F)F)[C@H](CC)C2)o1
|
CCCcncC)cC=O)NCCNC=O)C[C@@H]C)CCF)F)F))))))[C@H]CC))C6)))))))o5
|
[C][C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C@H1][Branch1][Ring1][C][C][C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch2]
|
C4(=O)C[C@@H](C)CC(F)(F)F.N13CCN4[C@H]6C1.c17nc(C)c5o1.CCC7.C35=O.C6C
|
CC=CC[C@H](C)C(=O)N(C)[C@H](C)c1ncc(C)[nH]1
|
CC=CC[C@H]C)C=O)NC)[C@H]C)cnccC)[nH]5
|
[C][C][=C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][=N][C][=C][Branch1][C][C][NH1][Ring1][=Branch1]
|
C=4C[C@H](C)C2=O.c15ncc(C)[nH]1.N23C.[C@H]35C.CC=4
|
CS[C@H]1C[C@H](CC(=O)NC(C)(C)CNC(=O)c2ccc3ncsc3c2)C1
|
CS[C@H]C[C@H]CC=O)NCC)C)CNC=O)ccccncsc5c9))))))))))))))))C4
|
[C][S][C@H1][C][C@H1][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][Branch2]
|
c18ccc2ncsc2c1.[C@H]1%10C[C@H]9C1.C6(C)(C)C7.C9C4=O.C58=O.CS%10.N46.N57
|
CC(C)n1nnnc1[C@@]1(Nc2ccc(F)c(Cl)c2)CC[C@](C)(C#N)C1
|
CCC)nnnnc5[C@@]NccccF)cCl)c6)))))))CC[C@]C)C#N))C5
|
[C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C@@][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C@][Branch1][C][C][Branch1][Ring1][C][#N][C][Ring1][P]
|
[C@@]136CC[C@](C)(C#N)C1.c14ccc(F)c(Cl)c1.n15nnnc16.CC5C.N34
|
CN(CCCCCNC(=O)CSC1CC1)C(=O)[C@@]12CCO[C@@H]1CCOC2
|
CNCCCCCNC=O)CSCCC3))))))))))))C=O)[C@@]CCO[C@@H]5CCOC9
|
[C][N][Branch2][Ring1][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][S][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C@@][C][C][O][C@@H1][Ring1][Branch1][C][C][O][C][Ring1][=Branch2]
|
[C@@]128CCO[C@@H]1CCOC2.C5CCCC6.C3(=O)C7.CN45.C19CC1.C48=O.N36.S79
|
O=C(CCc1ccc(O)cc1)N(CCNC(=O)[C@@]12CCCC[C@@H]1C2)C1CC1
|
O=CCCccccO)cc6))))))))NCCNC=O)[C@@]CCCC[C@@H]6C7)))))))))))CCC3
|
[O][=C][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C@@][C][C][C][C][C@@H1][Ring1][=Branch1][C][Ring1][#Branch1][C][C][C][Ring1][Ring1]
|
c19ccc(O)cc1.[C@@]128CCCC[C@@H]1C2.O=C3CC9.N357.C5C6.C48=O.C17CC1.N46
|
CO[C@@H]1C[C@]2(C(=O)N3CC[C@@](O)(CCNC(=O)CNC(=O)C(C)(C)C)C3)C[C@H]12
|
CO[C@@H]C[C@]C=O)NCC[C@@]O)CCNC=O)CNC=O)CC)C)C)))))))))C5))))))C[C@H]53
|
[C][O][C@@H1][C][C@][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][O][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][C][C@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][Branch2]
|
N14CC[C@]%11(O)C1.[C@@H]17C[C@]2%10C[C@H]12.C6(=O)C(C)(C)C.C5(=O)C9.C4%10=O.C%11C8.CO7.N58.N69
|
CN(C)[C@@H]1CC[C@H](C(=O)N2CC(CCNC(=O)/C=C/[C@H]3CCCN3C)C2)C1
|
CNC)[C@@H]CC[C@H]C=O)NCCCCNC=O)/C=C/[C@H]CCCN5C))))))))))))C4)))))C5
|
[C][N][Branch1][C][C][C@@H1][C][C][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][/C][=C][/C@H1][C][C][C][N][Ring1][Branch1][C][C][Ring1][P][C][Ring2][Ring1][Branch2]
|
C=9[C@H]1CCCN1C.[C@@H]17CC[C@H]8C1.N14CC%10C1.C5(=O)C=9.CN7C.C48=O.C%10C6.N56
|
COc1cccc([C@@H]2C[C@H]2C(=O)NCCCCn2cc(-c3c[nH]nc3F)nn2)c1
|
COccccc[C@@H]C[C@H]3C=O)NCCCCncc-cc[nH]nc5F))))))nn5))))))))))))))c6
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][S][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][N][C][=C][Branch1][=Branch2][C][=C][NH1][N][=C][Ring1][Branch1][F][N][=N][Ring1][O][=C][Ring2][Ring1][O]
|
c15cccc%10c1.n18cc9nn1.c19c[nH]nc1F.C6CCC8.[C@@H]1%10C[C@H]17.C47=O.CO5.N46
|
Cc1ccc(C(=O)N2CC[C@](O)(CCNC(=O)Cc3cocn3)C2)cc1F
|
CccccC=O)NCC[C@]O)CCNC=O)Cccocn5))))))))))C5))))))cc6F
|
[C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=N][Ring1][Branch1][C][Ring1][P][C][=C][Ring2][Ring1][=Branch2][F]
|
Cc1ccc7cc1F.N14CC[C@@]9(O)C1.c18cocn1.C5(=O)C8.C47=O.C9C6.N56
|
CCCC[C@H](CNC(=O)C[C@@H]1CCCCO1)NC(=O)c1ccc(C)nc1C(C)C
|
CCCC[C@H]CNC=O)C[C@@H]CCCCO6))))))))))NC=O)ccccC)nc6CC)C
|
[C][C][C][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][Branch1][C][C][C]
|
c16ccc(C)nc18.CCCC[C@@H]4C5.[C@@H]17CCCCO1.C2(=O)C7.C36=O.C8(C)C.N25.N34
|
C=CCC1(C(=O)N[C@@H](CC)CN(CC)C(=O)[C@@H](C)n2c(C)cc(O)cc2=O)CC1
|
C=CCCC=O)N[C@@H]CC))CNCC))C=O)[C@@H]C)ncC)ccO)cc6=O))))))))))))))CC3
|
[C][=C][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][Branch1][C][C][=C][C][Branch1][C][O][=C][C][Ring1][Branch2][=O][C][C][Ring2][Ring1][#Branch2]
|
n19c(C)cc(O)cc1=O.[C@@H]5(C6)CC.C4(=O)[C@H]9C.C18%10CC1.C=CC%10.C38=O.N467.N35.C7C
|
O=C(CC1(CCc2ccccc2)CCCC1)Nc1c(I)cnn1C[C@H]1CCOC1
|
O=CCCCCcccccc6))))))))CCCC5))))))NccI)cnn5C[C@H]CCOC5
|
[O][=C][Branch2][Ring1][Branch1][C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=N][N][C][=C][Branch1][C][I][C][=N][N][Ring1][=Branch1][C][C@H1][C][C][O][C][Ring1][Branch1]
|
c14c(I)cnn15.C167CCCC1.c19ccccc1.[C@H]18CCOC1.O=C3C6.C7C9.N34.C58
|
CC[C@]1(C(=O)NC[C@@H](CC(C)C)NC(=O)c2cnc(COC)s2)CC[C@@H](O)CC1
|
CC[C@]C=O)NC[C@@H]CCC)C)))NC=O)ccncCOC)))s5)))))))))))CC[C@@H]O)CC6
|
[C][C][C@][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring2][C][O][C][S][Ring1][Branch2][C][C][C@@H1][Branch1][C][O][C][C][Ring2][Ring1][O]
|
[C@]19%11CC[C@@H](O)CC1.C6[C@H]7CC(C)C.c18cnc%10s1.C39=O.C48=O.CC%11.N36.N47.C5%10.O5C
|
COC(=O)CCCC(=O)N1CCC[C@@H]1CCCNC(=O)CCO[C@H]1CCOC1
|
COC=O)CCCC=O)NCCC[C@@H]5CCCNC=O)CCO[C@H]CCOC5
|
[C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][O][C@H1][C][C][O][C][Ring1][Branch1]
|
C2(=O)CCCC3=O.N13CCC[C@@H]18.C4(=O)CC5.[C@H]16CCOC1.C8CC7.CO2.N47.O56
|
COCCCCC(=O)NN1CCC[C@H]1C(=O)NCc1[nH]nnc1C
|
COCCCCC=O)NNCCC[C@H]5C=O)NCc[nH]nnc5C
|
[C][O][C][C][C][C][C][=Branch1][C][=O][N][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][NH1][N][=N][C][=Ring1][Branch1][C]
|
C3CCCC(=O)NN1CCC[C@H]15.c16[nH]nnc1C.C25=O.CO3.N24.C46
|
Cc1cc(C#N)cnc1C(=O)NCCCC[C@@H](C)NC(=O)C[C@H](C)C1CC1
|
CcccC#N))cnc6C=O)NCCCC[C@@H]C)NC=O)C[C@H]C)CCC3
|
[C][C][=C][C][Branch1][Ring1][C][#N][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1]
|
Cc1cc(C#N)cnc16.C4CCC[C@H]5C.C3(=O)C[C@@H]7C.C26=O.C17CC1.N24.N35
|
Cc1oc(Br)cc1C(=O)N1CC(C)(c2cn(Cc3ccc(I)cc3)nn2)C1
|
CcocBr)cc5C=O)NCCC)ccnCccccI)cc6)))))))nn5)))))C4
|
[C][C][O][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch2][Ring1][=Branch1][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][C][Ring2][Ring1][C]
|
Cc1oc(Br)cc15.c17ccc(I)cc1.N14CC8(C)C1.c18cn6nn1.C45=O.C67
|
CCC[C@H](NC(=O)C[C@H](C)n1cccn1)C(=O)N1CC[C@](C)(C(=O)OC)C1
|
CCC[C@H]NC=O)C[C@H]C)ncccn5)))))))))C=O)NCC[C@]C)C=O)OC)))C5
|
[C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2]
|
CCC[C@H]5C4=O.N14CC[C@@]6(C)C1.C3(=O)C[C@@H]7C.n17cccn1.C26=O.N35.O2C
|
Cc1cc(C(=O)N2CCC(N(C)C(=O)Cc3ccc(C)s3)CC2)cc(C(F)F)c1
|
CcccC=O)NCCCNC)C=O)CccccC)s5))))))))CC6)))))))ccCF)F))c6
|
[C][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][P][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring2][Ring1][N]
|
Cc1cc7cc9c1.N14CCC6CC1.c18ccc(C)s1.C5(=O)C8.C47=O.N56C.C9(F)F
|
Cc1cccnc1C(F)(F)C(=O)NC[C@]1(C)CCC[C@H]1NC(=O)CS(C)(=O)=O
|
Cccccnc6CF)F)C=O)NC[C@]C)CCC[C@H]5NC=O)CSC)=O)=O
|
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][Branch1][C][C][=Branch1][C][=O][=O]
|
Cc1cccnc16.[C@@]17(C)CCC[C@H]15.C3(=O)CS(C)(=O)=O.C6(F)(F)C2=O.N24.C47.N35
|
CN(C[C@H]1CCCCN1C(=O)c1nccc2ccsc12)c1ncccn1
|
CNC[C@H]CCCCN6C=O)cncccccsc95)))))))))))))))))cncccn6
|
[C][N][Branch2][Ring1][O][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1]
|
c16nccc2ccsc12.[C@H]17CCCCN13.c15ncccn1.CN45.C36=O.C47
|
CC[C@@]1(C)C=C(C(=O)NC[C@@H](F)CNC(=O)c2ccccc2N2CCCC2=O)C1
|
CC[C@@]C)C=CC=O)NC[C@@H]F)CNC=O)cccccc6NCCCC5=O)))))))))))))))))))C4
|
[C][C][C@@][Branch1][C][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][=O][C][Ring2][Ring1][O]
|
[C@]18(C)C=C(C3=O)C1.c17ccccc19.N19CCCC1=O.C5[C@@H](F)C6.C47=O.CC8.N35.N46
|
CC1(C)COCC[C@@H]1NC(=O)NCc1cc2cc(Br)ccc2[nH]1
|
CCC)COCC[C@@H]6NC=O)NCcccccBr)ccc6[nH]9
|
[C][C][Branch1][C][C][C][O][C][C][C@@H1][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
|
c17cc2cc(Br)ccc2[nH]1.CC1(C)COCC[C@@H]16.C34=O.N36.N45.C57
|
CC1=C(C(=O)NC[C@H]2CCN(C(=O)C[C@H]3CCC(F)(F)C3)C2(C)C)CCS1(=O)=O
|
CC=CC=O)NC[C@H]CCNC=O)C[C@H]CCCF)F)C5)))))))C5C)C)))))))))CCS5=O)=O
|
[C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][Ring1][#C][Branch1][C][C][C][C][C][S][Ring2][Ring1][#Branch2][=Branch1][C][=O][=O]
|
CC1=C(C4=O)CCS1(=O)=O.[C@H]17CCN5C1(C)C.[C@H]18CCC(F)(F)C1.C5(=O)C8.N46.C67
|
CC(=O)Nc1ccc(C(=O)N[C@H]2CCSC23CN(C(=O)COCC(F)F)C3)cc1
|
CC=O)NccccC=O)N[C@H]CCSC5CNC=O)COCCF)F))))))C4))))))))))cc6
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][C][C][S][C][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][F][F][C][Ring1][N][C][=C][Ring2][Ring1][=Branch2]
|
[C@H]1%10CCSC12CN6C2.c19ccc%11cc1.C6(=O)C7.C8C(F)F.CC4=O.C5%11=O.N49.N5%10.O78
|
C=CC(F)(F)C(=O)N1CCC2(CC1)C[C@H](C)N(C(=O)[C@@H]1CCCCO1)C2
|
C=CCF)F)C=O)NCCCCC6))C[C@H]C)NC=O)[C@@H]CCCCO6)))))))C5
|
[C][=C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C@H1][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C@@H1][C][C][C][C][O][Ring1][=Branch1][C][Ring1][S]
|
N13CCC2(CC1)C[C@H](C)N4C2.C=CC(F)(F)C3=O.[C@@H]15CCCCO1.C45=O
|
O=C(c1coc(Cl)c1)N1CC[C@@]2(CCCN2C(=O)[C@@H](O)C(F)F)C1
|
O=CccocCl)c5)))))NCC[C@@]CCCN5C=O)[C@@H]O)CF)F))))))))C5
|
[O][=C][Branch1][O][C][=C][O][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][C][C@@][Branch2][Ring1][Ring2][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][F][F][C][Ring1][S]
|
N13CC[C@@]2(CCCN24)C1.C4(=O)[C@@H](O)C(F)F.c15coc(Cl)c1.O=C35
|
O=C(Nc1c(O)cccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
|
O=CNccO)cccc6Cl))))))))CCCNS=O)=O)Ccccccc6))))))))CC6
|
[O][=C][Branch1][=C][N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S]
|
c15c(O)cccc1Cl.C16CCN4CC1.c17ccccc1.S4(=O)(=O)C7.O=C36.N35
|
CC[C@H](CCCC(=O)NC1(CCCF)CC1)NC(=O)C1CCC(=O)CC1
|
CC[C@H]CCCC=O)NCCCCF))))CC3))))))))NC=O)CCCC=O)CC6
|
[C][C][C@H1][Branch2][Ring1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][C][F][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1]
|
CC[C@@H]4CCCC2=O.C16CCC(=O)CC1.C157CC1.C7CCF.C36=O.N25.N34
|
COC1(C(=O)NCC(F)=C2CN(C(=O)C=Cc3ccsc3)C2)CCCCC1
|
COCC=O)NCCF)=CCNC=O)C=Ccccsc5))))))))C4))))))))CCCCC6
|
[C][O][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][F][=C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=N][C][C][C][C][C][Ring2][Ring1][=Branch2]
|
C168CCCCC1.C=%10c1ccsc1.C1=9CN5C1.C7C=9F.C5(=O)C=%10.C48=O.CO6.N47
|
C[C@@]1(CNC(=O)CCNC(=O)CO)CCC[C@H]1NC(=O)C#CC1CC1
|
C[C@@]CNC=O)CCNC=O)CO)))))))))CCC[C@H]5NC=O)C#CCCC3
|
[C][C@@][Branch1][S][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][O][C][C][C][C@H1][Ring1][S][N][C][=Branch1][C][=O][C][#C][C][C][C][Ring1][Ring1]
|
C[C@@]18CCC[C@H]17.C4(=O)C#CC1CC1.C2(=O)CC6.C3(=O)CO.C58.N25.N36.N47
|
Cc1nc(C2CC2)nc(C)c1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3coc(Cl)c3)C[C@@H]12
|
CcncCCC3)))ncC)c6C=O)NC[C@@H][C@H]CNC=O)ccocCl)c5))))))C[C@@H]65
|
[C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][Branch1][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][C@@H1][Ring1][=C][Ring1][=N]
|
Cc1nc%10nc(C)c17.[C@@H]19[C@H]2CN5C[C@@H]12.c18coc(Cl)c1.C1%10CC1.C47=O.C58=O.N46.C69
|
CC(C)=CCCC(=O)N1CC[C@@H](CNC(=O)C[C@@H]2CCC3(CC3)CO2)C1(C)C
|
CCC)=CCCC=O)NCC[C@@H]CNC=O)C[C@@H]CCCCC3))CO6))))))))))C5C)C
|
[C][C][Branch1][C][C][=C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][Ring1][Branch2][C][Ring2][Ring1][C][Branch1][C][C][C]
|
N14CC[C@@H]9C1(C)C.[C@@H]18CCC2(CC2)CO1.C=7CCC4=O.C5(=O)C8.CC=7C.C69.N56
|
CO[C@@H]1C[C@@H](CNC(=O)CC2=CCCC2)N(C(=O)Cn2nc3c(n2)CCCC3)C1
|
CO[C@@H]C[C@@H]CNC=O)CC=CCCC5)))))))))NC=O)Cnnccn5)CCCC6))))))))))C5
|
[C][O][C@@H1][C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][C][C][Ring1][Branch1][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][N][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][O]
|
n18nc2c(n1)CCCC2.C4(=O)CC1=CCCC1.[C@@H]16C[C@@H]9N5C1.C5(=O)C8.CO6.C79.N47
|
Cc1cc(N[C@H]2CCN(C(=O)[C@]34CCCCN3CCC4)C2)n2ncnc2n1
|
CcccN[C@H]CCNC=O)[C@]CCCCN6CCC9))))))))))C5))))))nncnc5n9
|
[C][C][C][=C][Branch2][Ring1][=N][N][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@][C][C][C][C][N][Ring1][=Branch1][C][C][C][Ring1][=Branch2][C][Ring1][S][N][N][=C][N][=C][Ring1][Branch1][N][=Ring2][Ring1][#Branch2]
|
Cc1cc6n2ncnc2n1.[C@]128CCCCN1CCC2.[C@H]17CCN5C1.C58=O.N67
|
CCC[C@H](OCC)C(=O)N1CCC[C@]2(NC(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]2C1
|
CCC[C@H]OCC)))C=O)NCCC[C@]NC=O)[C@@H]C)CSC)=O)=O))))))C[C@H]3C8
|
[C][C][C][C@H1][Branch1][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C@H1][Ring1][=N][C][Ring2][Ring1][C]
|
N13CCC[C@]27C[C@H]2C1.C4(=O)[C@@H](C)CS(C)(=O)=O.CCC[C@H]5C3=O.O56.C6C.N47
|
CN(C[C@H](O)CN(C)C(=O)C(F)F)C(=O)c1ccc(C(F)(F)C(F)(F)F)s1
|
CNC[C@H]O)CNC)C=O)CF)F)))))))C=O)ccccCF)F)CF)F)F)))s5
|
[C][N][Branch2][Ring1][Ring2][C][C@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][N]
|
C7(F)(F)C(F)(F)F.c16ccc7s1.C4[C@H](O)C5.C2(=O)C(F)F.CN34.N25C.C36=O
|
CSC[C@H](C)C(=O)N[C@H]1CN(C(=O)C(=O)Nc2ccccc2)CC2(CC2)C1
|
CSC[C@H]C)C=O)N[C@H]CNC=O)C=O)Ncccccc6)))))))))CCCC3))C6
|
[C][S][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring1]
|
[C@H]18CN4CC2(CC2)C1.C6[C@H](C)C3=O.c17ccccc1.C4(=O)C5=O.CS6.N38.N57
|
C[C@@H](C(=O)NCCC[C@@H](CO)NC(=O)Cc1ccn(C)n1)n1cnnn1
|
C[C@@H]C=O)NCCC[C@@H]CO))NC=O)CcccnC)n5))))))))))))))ncnnn5
|
[C][C@@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][N][C][=N][N][=N][Ring1][Branch1]
|
C4CC[C@H]5CO.c17ccn(C)n1.C[C@H]6C2=O.n16cnnn1.C3(=O)C7.N24.N35
|
COc1cc[n+]([O-])c(C(=O)N(C)CCN(C)C(=O)COc2ccc(Cl)cc2F)c1
|
COccc[n+][O-])cC=O)NC)CCNC)C=O)COccccCl)cc6F)))))))))))))))c6
|
[C][O][C][=C][C][=N+1][Branch1][C][O-1][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][O]
|
c16cc[n+]([O-])c%10c1.c17ccc(Cl)cc1F.C4(=O)C5.C3%10=O.N38C.C8C9.N49C.CO6.O57
|
COc1ccc(/C=C/C(=O)N2C[C@@H]3[C@@H](C2)N3C(=O)c2ccccc2S)c(F)c1
|
COcccc/C=C/C=O)NC[C@@H][C@@H]C5)N3C=O)cccccc6S))))))))))))))))cF)c6
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][/C][=C][/C][=Branch1][C][=O][N][C][C@@H1][C@@H1][Branch1][Ring2][C][Ring1][Branch1][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][F][=C][Ring2][Ring1][#Branch2]
|
c16ccc(C=8)c(F)c1.N14C[C@@H]2[C@@H](C1)N25.c17ccccc1S.C=8C4=O.C57=O.CO6
|
CC(C)S(=O)(=O)N1C[C@H](F)C[C@@H](C(=O)Nc2cnn3ccccc23)C1
|
CCC)S=O)=O)NC[C@H]F)C[C@@H]C=O)Nccnnccccc96)))))))))))C6
|
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring1]
|
c16cnn2ccccc12.N15C[C@H]7C[C@@H](F)C1.CC(C)S5(=O)=O.C47=O.N46
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.