SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CC[C@]1(C(=O)N(C)CC(C)(C)C#N)CCN(C(=O)C2CC(C)(C)C2)C1
|
CC[C@]C=O)NC)CCC)C)C#N))))))CCNC=O)CCCC)C)C4)))))C5
|
[C][C][C@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][#N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1]
|
[C@]168CCN4C1.C5C(C)(C)C#N.C17CC(C)(C)C1.C36=O.N35C.C47=O.CC8
|
COC1(OC)CC[C@@H]1C(=O)NCc1cc(C(=O)Nc2ccc(C)nc2)ccn1
|
COCOC))CC[C@@H]4C=O)NCcccC=O)NccccC)nc6))))))))ccn6
|
[C][O][C][Branch1][Ring1][O][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][=C][C][=N][Ring1][S]
|
c1%11cc%10ccn1.c18ccc(C)nc1.C156CC[C@@H]19.C39=O.C4%10=O.CO5.O6C.N37.C7%11.N48
|
C[C@H]1CCCN(C(=O)C(=O)NCCOC2CN(C(=O)C3(n4ccnn4)CC3)C2)C1
|
C[C@H]CCCNC=O)C=O)NCCOCCNC=O)Cnccnn5)))))CC3))))C4))))))))))C6
|
[C][C@H1][C][C][C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][Branch2][C][Ring1][=C][C][Ring2][Ring1][N]
|
C[C@H]1CCCN5C1.C5(=O)C6=O.C19CN7C1.n1%12ccnn1.C1%11%12CC1.C%10C8.C7%11=O.N6%10.O89
|
O=C(NCC1[C@@H]2CN(Cc3cccc(F)c3F)C[C@@H]12)C1(CF)CCC1
|
O=CNCC[C@@H]CNCcccccF)c6F))))))))C[C@@H]65))))))))CCF))CCC4
|
[O][=C][Branch2][Ring1][N][N][C][C][C@@H1][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][C@@H1][Ring1][#C][Ring1][=C][C][Branch1][Ring1][C][F][C][C][C][Ring1][=Branch1]
|
c1%10cccc(F)c1F.C18[C@@H]2CN6C[C@@H]12.C179CCC1.O=C47.N45.C58.C6%10.C9F
|
O=C(NCCN(C(=O)Cc1ccccc1)C1CCCCC1)[C@H]1C(Cl)(Cl)C12CC2
|
O=CNCCNC=O)Ccccccc6))))))))CCCCCC6))))))))))[C@H]CCl)Cl)C3CC3
|
[O][=C][Branch2][Ring1][N][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C@H1][C][Branch1][C][Cl][Branch1][C][Cl][C][Ring1][Branch1][C][C][Ring1][Ring1]
|
[C@H]18C(Cl)(Cl)C12CC2.c19ccccc1.C17CCCCC1.C4(=O)C9.O=C38.C5C6.N467.N35
|
CC(C)n1ccc(C(=O)N[C@H](C)C2CCN(C(=O)[C@H]3C[C@H]4C=C[C@H]3C4)CC2)n1
|
CCC)ncccC=O)N[C@H]C)CCCNC=O)[C@H]C[C@H]C=C[C@H]6C5))))))))CC6)))))))))n5
|
[C][C][Branch1][C][C][N][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][C][C@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring1][#C][=N][Ring2][Ring1][=Branch2]
|
C1%11CCN6CC1.[C@H]19C[C@H]2C=C[C@H]1C2.n1%10ccc8n1.CC%10C.C58=O.[C@H]7%11C.C69=O.N57
|
CN(CCCN(C)C(=O)[C@@H]1C[C@@H]2COC[C@@H](C2)C1)C(=O)c1nn(C)cc1Br
|
CNCCCNC)C=O)[C@@H]C[C@@H]COC[C@@H]C6)C8)))))))))))))C=O)cnnC)cc5Br
|
[C][N][Branch2][Ring1][O][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][O][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br]
|
[C@H]18C[C@H]2COC[C@@H](C1)C2.c17nn(C)cc1Br.C5CC6.CN45.N36C.C38=O.C47=O
|
Cc1ccc(C(=O)NCC[C@H]2C[C@H](NC(=O)c3cnn(C)c3)C2)c(F)c1Cl
|
CccccC=O)NCC[C@H]C[C@H]NC=O)ccnnC)c5)))))))C4))))))))cF)c6Cl
|
[C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C@H1][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][=N][C][Branch1][C][F][=C][Ring2][Ring1][=Branch2][Cl]
|
Cc1ccc8c(F)c1Cl.c19cnn(C)c1.[C@H]1%10C[C@H]7C1.C48=O.C6C%10.C59=O.N46.N57
|
COC(=O)CCNC(=O)[C@@]1(C)CCCN(c2nncc(C)c2C)C1
|
COC=O)CCNC=O)[C@@]C)CCCNcnnccC)c6C)))))))C6
|
[C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][N][Branch1][=N][C][=N][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C]
|
[C@]17(C)CCCN6C1.c16nncc(C)c1C.C3(=O)CC5.C47=O.CO3.N45
|
CC(C)(C)c1n[nH]c(=N[C@@H](CNC(=O)c2ccc(C(F)F)nc2)C2CC2)o1
|
CCC)C)cn[nH]c=N[C@@H]CNC=O)ccccCF)F))nc6)))))))))CCC3)))))o5
|
[C][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][C][=Branch2][Ring1][S][=N][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][O][Ring2][Ring1][#Branch1]
|
c16n[nH]c(=N[C@H]8C4)o1.c15ccc7nc1.CC6(C)C.C35=O.C7(F)F.C18CC1.N34
|
CC(C)[C@H](C)N=c1ccn2ncc(S(=O)(=O)NC[C@]3(C)CCCCO3)c2[nH]1
|
CCC)[C@H]C)N=cccnnccS=O)=O)NC[C@]C)CCCCO6)))))))))c5[nH]9
|
[C][C][Branch1][C][C][C@H1][Branch1][C][C][N][=C][C][=C][N][N][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][C][O][Ring1][#Branch1][=C][Ring1][P][NH1][Ring2][Ring1][Branch1]
|
CC(C)[C@H](C)N=c1ccn2ncc(S5(=O)=O)c2[nH]1.[C@@]16(C)CCCCO1.N45.C46
|
CC1(C)CN(C(=O)c2nc(Cl)ccc2F)c2ccccc2C1=O
|
CCC)CNC=O)cncCl)ccc6F))))))))cccccc6C%10=O
|
[C][C][Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O]
|
CC1(C)CN3c2ccccc2C1=O.c14nc(Cl)ccc1F.C34=O
|
Cc1cc(F)cc(CC(=O)N[C@]23CC[C@H]2CN(C(=O)c2ncc(N)cc2Cl)C3)c1
|
CcccF)ccCC=O)N[C@]CC[C@H]4CNC=O)cnccN)cc6Cl))))))))C7))))))))))c6
|
[C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C@][C][C][C@H1][Ring1][Ring2][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][Ring1][P][=C][Ring2][Ring1][N]
|
Cc1cc8cc(F)c1.[C@]126CC[C@H]1CN5C2.c17ncc(N)cc1Cl.C8C4=O.C57=O.N46
|
C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(Cl)c(F)c1)C1=CCCC1
|
C[C@@H]C=O)NC[C@@H]COCCN6C=O)ccccCl)cF)c6))))))))))))))))C=CCCC5
|
[C][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][C][C][Ring1][Branch1]
|
C[C@@H](C2=O)C1=CCCC1.c15ccc(Cl)c(F)c1.[C@@H]16COCCN13.C35=O.N24.C46
|
CCO[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ncn2)C[C@H]1CNC(=O)CNC=O
|
CCO[C@@H]CNC=O)cccCF)F)F))ncn6)))))))C[C@H]5CNC=O)CNC=O
|
[C][C][O][C@@H1][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=N][Ring1][#Branch2][C][C@H1][Ring1][P][C][N][C][=Branch1][C][=O][C][N][C][=O]
|
[C@@H]16CN3C[C@H]1%11.c19cc%10ncn1.C%10(F)(F)F.C4(=O)C8.C39=O.N8C=O.CC5.O56.C7%11.N47
|
C[C@@H]1CCOCCN1C(=O)[C@H]1CCCN(C(=O)[C@H](O)C2CCC2)C1
|
C[C@@H]CCOCCN7C=O)[C@H]CCCNC=O)[C@H]O)CCCC4))))))C6
|
[C][C@@H1][C][C][O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][C][Ring1][Ring2][C][Ring1][=C]
|
C[C@@H]1CCOCCN13.[C@H]15CCCN4C1.C4(=O)[C@@H]6O.C16CCC1.C35=O
|
COc1cc(C(=O)N2CC[C@H]([C@H](C)NC(=O)c3ccnnc3S)C2)c(F)cc1N
|
COcccC=O)NCC[C@H][C@H]C)NC=O)cccnnc6S))))))))))C5))))))cF)cc6N
|
[C][O][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][S][C][Ring1][P][=C][Branch1][C][F][C][=C][Ring2][Ring1][#Branch2][N]
|
c16cc8c(F)cc1N.c19ccnnc1S.N14CC[C@H]%10C1.C48=O.[C@@H]7%10C.C59=O.CO6.N57
|
CC(CC(=O)NCC1C=CCN1C(=O)c1ccc2c(c1)C(C)(C)CO2)C(F)(F)F
|
CCCC=O)NCCC=CCN5C=O)cccccc6)CC)C)CO5))))))))))))))))))CF)F)F
|
[C][C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F]
|
c16ccc2c(c1)C(C)(C)CO2.CC(CC3=O)C(F)(F)F.C17C=CCN14.C46=O.N35.C57
|
CCCC[C@@H](CNC(=O)c1cc(=O)c(O)c[nH]1)NC(=O)C[C@@H](C)O
|
CCCC[C@@H]CNC=O)ccc=O)cO)c[nH]6)))))))))NC=O)C[C@@H]C)O
|
[C][C][C][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][NH1][Ring1][Branch2][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][O]
|
c16cc(=O)c(O)c[nH]1.CCCC[C@H]4C5.C3(=O)C[C@@H](C)O.C26=O.N25.N34
|
Cc1ccc(OCCN=c2cc(C)c3ccccc3[nH]2)nc1
|
CccccOCCN=cccC)cccccc6[nH]%10))))))))))))))nc6
|
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][N][=C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][O][N][=C][Ring2][Ring1][Branch1]
|
C4CN=c1cc(C)c2ccccc2[nH]1.Cc1ccc5nc1.O45
|
COc1nccnc1C(=O)N1CC[C@H]2C[C@@]21C(=O)NCc1cocn1
|
COcnccnc6C=O)NCC[C@H]C[C@@]36C=O)NCccocn5
|
[C][O][C][=N][C][=C][N][=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][O][C][=N][Ring1][Branch1]
|
c15nccnc18.N13CC[C@H]2C[C@@]217.c19cocn1.C38=O.C47=O.CO5.N46.C69
|
CCOC1(CNC(=O)CC=Cc2ccc(C)cc2)CN(C(=O)C2(Cl)CC2)C1
|
CCOCCNC=O)CC=CccccC)cc6))))))))))))CNC=O)CCl)CC3))))C4
|
[C][C][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][Cl][C][C][Ring1][Ring2][C][Ring2][Ring1][Branch2]
|
C=9c1ccc(C)cc1.C16%10CN4C1.C3(=O)CC=9.C18(Cl)CC1.C48=O.CC5.O56.C7%10.N37
|
Cc1ccn2c(C(=O)N3CC[C@@H]3CNC(=O)c3nccc(C)c3O)cnc2c1
|
CcccncC=O)NCC[C@@H]4CNC=O)cncccC)c6O)))))))))))))))cnc5c9
|
[C][C][C][=C][N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][=C][N][=C][Ring2][Ring1][#Branch1][C][=Ring2][Ring1][O]
|
Cc1ccn2c7cnc2c1.c18nccc(C)c1O.N14CC[C@@H]19.C47=O.C58=O.C69.N56
|
CC(C)n1cnc(C(=O)N2CC[C@H](NC(=O)c3ccc(F)cc3Cl)[C@H](CO)C2)c1
|
CCC)ncncC=O)NCC[C@H]NC=O)ccccF)cc6Cl)))))))))[C@H]CO))C6)))))))c5
|
[C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C@H1][Branch1][Ring1][C][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]
|
N14CC[C@H]6[C@H]%10C1.c18ccc(F)cc1Cl.n19cnc7c1.CC9C.C47=O.C58=O.N56.C%10O
|
CCCn1ccc(C(=O)N2C[C@](C)(C(=O)NCCc3ccccc3)CC2(C)C)n1
|
CCCncccC=O)NC[C@]C)C=O)NCCcccccc6))))))))))CC5C)C)))))))n5
|
[C][C][C][N][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][Branch1][C][C][C][=N][Ring2][Ring1][#Branch2]
|
N14C[C@@]8(C)CC1(C)C.n19ccc7n1.c1%10ccccc1.CCC9.C47=O.C58=O.C6C%10.N56
|
CCc1nn(C)cc1C(=O)N[C@@H]1C[C@H](CNC(=O)c2cccc(OC)n2)C1(C)C
|
CCcnnC)cc5C=O)N[C@@H]C[C@H]CNC=O)cccccOC))n6)))))))))C4C)C
|
[C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][Branch2][C][Ring1][S][Branch1][C][C][C]
|
c1%10nn(C)cc19.[C@@H]17C[C@H]%11C1(C)C.c18cccc5n1.C39=O.C48=O.CC%10.N37.C6%11.N46.O5C
|
O=C1CCCc2cc(CNC(=O)N3CCC4(C=C4)CC3)ccc21
|
O=CCCCcccCNC=O)NCCCC=C3))CC6)))))))))ccc6%10
|
[O][=C][C][C][C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][=C][Ring1][Ring1][C][C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1]
|
O=C1CCCc2cc8ccc21.N16CCC2(C=C2)CC1.C56=O.C78.N57
|
CN1CC(C)(C)C[C@@H]1C(=O)NCc1cccc2c1CCN(C(=O)[C@@H]1CC1(F)F)C2
|
CNCCC)C)C[C@@H]5C=O)NCcccccc6CCNC=O)[C@@H]CC3F)F)))))C6
|
[C][N][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][Branch1][C][F][F][C][Ring1][=N]
|
c18cccc2c1CCN4C2.CN1CC(C)(C)C[C@@H]16.[C@@H]17CC1(F)F.C36=O.C47=O.N35.C58
|
O=C1CCN(Cc2cc(C(F)F)no2)C(=O)N1C[C@H]1CCCS1
|
O=CCCNCcccCF)F))no5))))))C=O)N6C[C@H]CCCS5
|
[O][=C][C][C][N][Branch1][S][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][O][Ring1][Branch2][C][=Branch1][C][=O][N][Ring1][S][C][C@H1][C][C][C][S][Ring1][Branch1]
|
O=C1CCN3C(=O)N14.c16cc7no1.[C@H]15CCCS1.C7(F)F.C36.C45
|
CCOC(=O)c1cnoc1COC(=O)c1c[nH]n2c1nc(=O)c1ccccc12
|
CCOC=O)ccnoc5COC=O)cc[nH]nc5nc=O)cccccc6%10
|
[C][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][NH1][N][C][Ring1][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]
|
c18c[nH]n2c1nc(=O)c1ccccc12.c17cnoc19.C37=O.C48=O.CC5.O35.C69.O46
|
COc1ccc([C@@H](NC(=O)N2C[C@H]3C[C@@H]2CO3)c2ccccc2OC)cc1
|
COcccc[C@@H]NC=O)NC[C@H]C[C@@H]5CO5)))))))))cccccc6OC)))))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Ring1][Branch1][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][=Branch2]
|
c16ccc9cc1.N15C[C@H]2C[C@@H]1CO2.c1%10ccccc17.[C@@H]89%10.C45=O.CO6.N48.O7C
|
CC1=CCCN(c2cc(C)c(S(=O)(=O)N3CCC[C@@]4(CCCO4)CC3)cn2)C1
|
CC=CCCNcccC)cS=O)=O)NCCC[C@@]CCCO5))))CC7))))))))cn6))))))C6
|
[C][C][=C][C][C][N][Branch2][Ring2][Branch2][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@@][Branch1][#Branch1][C][C][C][O][Ring1][Branch1][C][C][Ring1][O][C][=N][Ring2][Ring1][Branch1][C][Ring2][Ring1][O]
|
c16cc(C)c(S5(=O)=O)cn1.N15CCC[C@@]2(CCCO2)CC1.CC1=CCCN6C1
|
O=C1[C@@H](N2CCC(O)(c3scnc3Br)CC2)CCN1C1CCC1
|
O=C[C@@H]NCCCO)cscnc5Br))))))CC6))))))CCN5CCCC4
|
[O][=C][C@@H1][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][S][C][=N][C][=Ring1][Branch1][Br][C][C][Ring1][=N][C][C][N][Ring2][Ring1][C][C][C][C][C][Ring1][Ring2]
|
N14CCC6(O)CC1.O=C1[C@@H]4CCN15.c16scnc1Br.C15CCC1
|
O=C(Cc1cccc(F)c1C(=O)O)NCc1ccsn1
|
O=CCcccccF)c6C=O)O)))))))))NCcccsn5
|
[O][=C][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][N][C][C][C][=C][S][N][=Ring1][Branch1]
|
c16cccc(F)c14.c15ccsn1.O=C2C6.C4(=O)O.N23.C35
|
CC[C@H](C)n1cnc(S(=O)(=O)Nc2ccc(C)cc2C(N)=O)c1
|
CC[C@H]C)ncncS=O)=O)NccccC)cc6CN)=O))))))))))c5
|
[C][C][C@H1][Branch1][C][C][N][C][=N][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Ring1]
|
n16cnc(S3(=O)=O)c1.c14ccc(C)cc15.CC[C@@H]6C.C5(N)=O.N34
|
COC(=O)c1cc(C(=O)NC2CC(F)(CNC(=O)CC[C@H]3CC3(C)C)C2)c(C)s1
|
COC=O)cccC=O)NCCCF)CNC=O)CC[C@H]CC3C)C)))))))))C4))))))cC)s5
|
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][C@H1][C][C][Ring1][Ring1][Branch1][C][C][C][C][Ring1][S][=C][Branch1][C][C][S][Ring2][Ring1][=Branch2]
|
c19cc%10c(C)s1.C18CC%11(F)C1.C6(=O)CC%12.[C@H]1%12CC1(C)C.C49=O.C5%10=O.CO4.N58.C7%11.N67
|
COc1ccc(C(=O)N2CC[C@H]3CN(C(=O)CC4CCSCC4)CC[C@H]32)o1
|
COccccC=O)NCC[C@H]CNC=O)CCCCSCC6))))))))CC[C@H]69))))))))))o5
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][S][C][C][Ring1][=Branch1][C][C][C@H1][Ring1][#C][Ring2][Ring1][C][O][Ring2][Ring1][=Branch2]
|
N15CC[C@H]2CN6CC[C@H]21.c17ccc8o1.C19CCSCC1.C6(=O)C9.C58=O.CO7
|
COCCCCC(=O)N(CC1CC1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1
|
COCCCCC=O)NCCCC3))))[C@H]CCNC=O)C#CCC)C)C)))))C5
|
[C][O][C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][#C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N]
|
C3(=O)C#CC(C)(C)C.C4CCCC2=O.[C@H]16CCN3C1.N256.C17CC1.CO4.C57
|
CCCC(=O)Nc1ccccc1NC(=O)c1cnc(N2CCO[C@H](CN)C2)cn1
|
CCCC=O)Ncccccc6NC=O)ccncNCCO[C@H]CN))C6))))))cn6
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=N][N][C][C][O][C@H1][Branch1][Ring1][C][N][C][Ring1][Branch2][C][=N][Ring1][=C]
|
c16ccccc17.c18cnc5cn1.N15CCO[C@H]9C1.CCCC3=O.C48=O.N36.N47.C9N
|
CC(C)[C@H](O)C(=O)NCC(C)(C)CCNC(=O)C1=C(Cl)CC1
|
CCC)[C@H]O)C=O)NCCC)C)CCNC=O)C=CCl)CC4
|
[C][C][Branch1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][C][Ring1][Branch1]
|
CC(C)[C@H](O)C2=O.C4C(C)(C)CC5.C3(=O)C1=C(Cl)CC1.N24.N35
|
CC[C@@H](C(=O)OC)C(=O)N1CCN(CC(=O)NCc2noc(C(C)C)n2)CC1
|
CC[C@@H]C=O)OC)))C=O)NCCNCC=O)NCcnocCC)C))n5)))))))))CC6
|
[C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][C][Ring2][Ring1][Ring1]
|
CC[C@@H](C3=O)C4=O.N14CCN6CC1.c18noc9n1.C6C5=O.C9(C)C.O3C.N57.C78
|
Cc1nc(O)ccc1C(=O)N[C@H]1C[C@@H](O)CN(C(=O)C2(CC(F)(F)F)CC2)C1
|
CcncO)ccc6C=O)N[C@H]C[C@@H]O)CNC=O)CCCF)F)F)))CC3))))C6
|
[C][C][=N][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch1][C][O][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][Branch2][C][Ring1][P]
|
Cc1nc(O)ccc17.[C@H]15C[C@@H](O)CN4C1.C8C(F)(F)F.C168CC1.C37=O.C46=O.N35
|
C[C@@]1(O)CCC[C@@H]1n1cc(C2(O)CN(C(=O)c3cc(Cl)n[nH]3)C2)nn1
|
C[C@@]O)CCC[C@@H]5nccCO)CNC=O)cccCl)n[nH]5))))))C4))))nn5
|
[C][C@@][Branch1][C][O][C][C][C][C@@H1][Ring1][=Branch1][N][C][=C][Branch2][Ring1][#Branch2][C][Branch1][C][O][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][NH1][Ring1][=Branch1][C][Ring1][=N][N][=N][Ring2][Ring1][C]
|
C[C@@]1(O)CCC[C@@H]16.n16cc7nn1.C17(O)CN4C1.c15cc(Cl)n[nH]1.C45=O
|
O=C(NC[C@@H]1CCN1C(=O)c1cccc(O)n1)c1nc(C2CC2)ncc1Br
|
O=CNC[C@@H]CCN4C=O)cccccO)n6)))))))))))))cncCCC3)))ncc6Br
|
[O][=C][Branch2][Ring1][Branch2][N][C][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=N][Ring1][#Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][=Branch2][Br]
|
c16nc9ncc1Br.c17cccc(O)n1.[C@@H]18CCN14.O=C36.C47=O.C19CC1.N35.C58
|
C[C@@H](N[C@H]1CCOC2(CCCC2)C1)c1cccc(C(F)(F)F)c1
|
C[C@@H]N[C@H]CCOCCCCC5))))C6)))))))cccccCF)F)F))c6
|
[C][C@@H1][Branch2][Ring1][C][N][C@H1][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
[C@H]14CCOC2(CCCC2)C1.c15cccc6c1.C6(F)(F)F.C[C@@H]35.N34
|
CC[C@]1(C)CCN(Cc2ccc(-c3nn[nH]n3)c(Br)c2)C1
|
CC[C@]C)CCNCcccc-cnn[nH]n5)))))cBr)c6)))))))C5
|
[C][C][C@][Branch1][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][N][C][Ring2][Ring1][Ring1]
|
c16ccc7c(Br)c1.[C@@]15(C)CCN4C1.c17nn[nH]n1.CC5.C46
|
C=CCCC(=O)NC[C@@H](COC)NC(=O)c1ccc(O)c(CC)c1
|
C=CCCC=O)NC[C@@H]COC)))NC=O)ccccO)cCC))c6
|
[C][=C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring2][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][C][C][=C][Ring1][=Branch2]
|
c17ccc(O)c8c1.C=CCCC2=O.C5[C@H]6C4.C37=O.N25.O4C.N36.C8C
|
Cc1ccc(C(=O)N(C)C[C@@H]2CN(C(=O)CCc3cnco3)CCO2)nn1
|
CccccC=O)NC)C[C@@H]CNC=O)CCccnco5))))))))CCO6)))))))))nn6
|
[C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][=C][N][=C][O][Ring1][Branch1][C][C][O][Ring1][#C][N][=N][Ring2][Ring1][#Branch2]
|
Cc1ccc7nn1.[C@@H]18CN5CCO1.C5(=O)CC9.c19cnco1.C47=O.N46C.C68
|
CSCCC(C)(C)C(=O)NCC1(CNC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)CC1
|
CSCCCC)C)C=O)NCCCNC=O)cccccc6O[C@@H]C)[C@@H]5C)))))))))))))CC3
|
[C][S][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][C][Ring2][Ring1][C]
|
c19cccc2c1O[C@@H](C)[C@@H]2C.C8CC(C)(C)C4=O.C1%10%11CC1.C59=O.CS8.N46.C6%10.C7%11.N57
|
C#C[C@H]1CCC[C@@H](NC(=O)c2sccc2CNC(=O)C(C)(C)CC=C)C1
|
C#C[C@H]CCC[C@@H]NC=O)csccc5CNC=O)CC)C)CC=C))))))))))))))C6
|
[C][#C][C@H1][C][C][C][C@@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][Ring2][Ring1][Branch2]
|
C#C[C@H]1CCC[C@@H]6C1.C4(=O)C(C)(C)CC=C.c17sccc18.C37=O.N36.C58.N45
|
c1ccc(O[C@@H]2COC[C@]2(NC2CCCCCC2)c2nnnn2C2COC2)cc1
|
ccccO[C@@H]COC[C@]5NCCCCCCC7))))))))cnnnn5CCOC4)))))))))))))))cc6
|
[C][=C][C][=C][Branch2][Ring2][C][O][C@@H1][C][O][C][C@][Ring1][Branch1][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1][C][C][O][C][Ring1][Ring2][C][=C][Ring2][Ring1][=N]
|
[C@@H]13COC[C@]158.C16CCCCCC1.c1ccc4cc1.c18nnnn17.C17COC1.O34.N56
|
CC[C@@H](OC)C(=O)NCC12COC(CNC(=O)[C@@H]3CCS(=O)(=O)N3)(C1)C2
|
CC[C@@H]OC))C=O)NCCCOCCNC=O)[C@@H]CCS=O)=O)N5))))))))C5)C5
|
[C][C][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][#Branch1][Branch1][Ring2][C][Ring1][S][C][Ring1][P]
|
C12%11COC%10(C1)C2.[C@@H]19CCS(=O)(=O)N1.CC[C@@H]6C4=O.C59=O.O6C.N47.C7%11.C8%10.N58
|
C[C@@H]1CC[C@H](C(=O)N[C@@H](C)C2CCN(C(=O)CSc3ccccn3)CC2)O1
|
C[C@@H]CC[C@H]C=O)N[C@@H]C)CCCNC=O)CScccccn6)))))))))CC6)))))))))O5
|
[C][C@@H1][C][C][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][S][O][Ring2][Ring1][#Branch2]
|
C19CCN5CC1.C[C@@H]1CC[C@H]8O1.c1%10ccccn1.C5(=O)C7.C48=O.[C@@H]69C.N46.S7%10
|
CC(C)(C)[C@H]1C(=O)C[C@H]1C(=O)NCCCOCCNC(=O)C1(C(N)=O)CC1
|
CCC)C)[C@H]C=O)C[C@H]4C=O)NCCCOCCNC=O)CCN)=O))CC3
|
[C][C][Branch1][C][C][Branch1][C][C][C@H1][C][=Branch1][C][=O][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch1]
|
[C@H]13C(=O)C[C@H]19.CC3(C)C.C7CC5.C1%10%11CC1.C29=O.C6C8.C4%10=O.C%11(N)=O.N27.O56.N48
|
CC(C)=CC(=O)N1CC[C@H]1CNC(=O)c1cccc2c1[C@H]1CC[C@H]2O1
|
CCC)=CC=O)NCC[C@H]4CNC=O)cccccc6[C@H]CC[C@H]6O5
|
[C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][C@H1][Ring1][=Branch1][O][Ring1][Branch1]
|
c16cccc2c1[C@H]1CC[C@H]2O1.N13CC[C@H]18.C=7C3=O.CC=7C.C46=O.C58.N45
|
C=CCn1nnnc1[C@@H](N[C@H]1CSCc2ccccc21)c1cscc1Cl
|
C=CCnnnnc5[C@@H]N[C@H]CSCcccccc6%10)))))))))))ccscc5Cl
|
[C][=C][C][N][N][=N][N][=C][Ring1][Branch1][C@@H1][Branch1][S][N][C@H1][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][S][C][=C][Ring1][Branch1][Cl]
|
N3[C@H]1CSCc2ccccc21.n14nnnc15.c16cscc1Cl.C=CC4.[C@@H]356
|
COCC1(C(=O)N[C@@H]2COC[C@@H]2NC(=O)CCC(F)F)CC=CC1
|
COCCC=O)N[C@@H]COC[C@@H]5NC=O)CCCF)F)))))))))))))CC=CC5
|
[C][O][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][C][O][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][F][C][C][=C][C][Ring2][Ring1][Branch1]
|
C4(=O)CCC(F)F.C189CC=CC1.[C@@H]16COC[C@@H]17.C38=O.CO5.C59.N36.N47
|
Cc1c(C(=O)N2CCC[C@@](C)(NC(=O)C3C4(CC4)C34CC4)C2)ccc(F)c1F
|
CccC=O)NCCC[C@@]C)NC=O)CCCC3))C3CC3)))))))C6)))))))cccF)c6F
|
[C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch1][C][C][Ring1][Ring1][C][Ring1][P][C][=C][C][Branch1][C][F][=C][Ring2][Ring1][#Branch2][F]
|
Cc1c9ccc(F)c1F.N15CCC[C@]7(C)C1.C18C2(CC2)C12CC2.C59=O.C68=O.N67
|
C#CC[C@@H](C)C(=O)NC12CC(CNC(=O)[C@H]3CCn4nccc4C3)(C1)C2
|
C#CC[C@@H]C)C=O)NCCCCNC=O)[C@H]CCnnccc5C9))))))))))))C4)C4
|
[C][#C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][C][C][N][N][=C][C][=C][Ring1][Branch1][C][Ring1][=Branch2][Branch1][Ring2][C][Ring1][P][C][Ring2][Ring1][C]
|
[C@H]19CCn2nccc2C1.C#CC[C@@H](C)C5=O.C128CC%10(C1)C2.C69=O.N58.C7%10.N67
|
COc1ccnc(OC)c1C(=O)NCC[C@H]1CN(C(=O)c2cnc[nH]2)C[C@H](C)O1
|
COcccncOC))c6C=O)NCC[C@H]CNC=O)ccnc[nH]5))))))C[C@H]C)O6
|
[C][O][C][=C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][NH1][Ring1][Branch1][C][C@H1][Branch1][C][C][O][Ring1][=C]
|
c16ccnc5c19.[C@H]1%10CN4C[C@H](C)O1.c18cnc[nH]1.C39=O.C7C%10.C48=O.CO6.O5C.N37
|
O=C(CCn1cc(Cl)cn1)N[C@@H]1C[C@@H]1[C@H]1CCCN(C(=O)c2ccns2)C1
|
O=CCCnccCl)cn5)))))))N[C@@H]C[C@@H]3[C@H]CCCNC=O)cccns5))))))C6
|
[O][=C][Branch1][=N][C][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][N][C@@H1][C][C@@H1][Ring1][Ring1][C@H1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][S][Ring1][Branch1][C][Ring1][=N]
|
[C@@H]15C[C@@H]1[C@H]1CCCN4C1.n17cc(Cl)cn1.O=C3CC7.c16ccns1.C46=O.N35
|
CC1(C)CO[C@@H](CC(=O)NC2CC3(C2)CN(C(=O)CNC(=O)C(C)(C)C)C3)C1
|
CCC)CO[C@@H]CC=O)NCCCC4)CNC=O)CNC=O)CC)C)C))))))C4)))))))))C5
|
[C][C][Branch1][C][C][C][O][C@@H1][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C][C][Ring2][Ring1][O]
|
C18CC2(C1)CN5C2.CC1(C)CO[C@@H]9C1.C6(=O)C(C)(C)C.C9C4=O.C5(=O)C7.N48.N67
|
CN1CCCC(C)(C)[C@H]1CN=c1[nH]c2c(c(=NCCCP(C)(C)=O)[nH]1)COCC2
|
CNCCCCC)C)[C@H]6CN=c[nH]ccc=NCCCPC)C)=O))))))[nH]6))COCC6
|
[C][N][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][N][=C][NH1][C][=C][Branch2][Ring1][Ring1][C][=Branch1][=N][=N][C][C][C][P][Branch1][C][C][Branch1][C][C][=O][NH1][Ring1][=C][C][O][C][C][Ring1][S]
|
C3N=c1[nH]c2c(c(=NCCCP(C)(C)=O)[nH]1)COCC2.CN1CCCC(C)(C)[C@H]13
|
C#CC1(C(=O)N[C@H]2CC[C@](C)(CNC(=O)c3cc(F)cc(Cl)c3O)C2)CCCC1
|
C#CCC=O)N[C@H]CC[C@]C)CNC=O)cccF)ccCl)c6O))))))))))C5)))))))CCCC5
|
[C][#C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C@H1][C][C][C@][Branch1][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring2][Ring1][Ring1][C][C][C][C][Ring2][Ring1][O]
|
c19cc(F)cc(Cl)c1O.C#CC18CCCC1.[C@H]17CC[C@@]%10(C)C1.C48=O.C59=O.N47.C6%10.N56
|
C[C@H]1CC(C(=O)N[C@H]2COCC[C@H]2NC(=O)Cn2ncnn2)=NO1
|
C[C@H]CCC=O)N[C@H]COCC[C@H]6NC=O)Cnncnn5))))))))))))))))=NO5
|
[C][C@H1][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C@H1][C][O][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=C][N][=N][Ring1][Branch1][=N][O][Ring2][Ring1][#Branch1]
|
C[C@H]1CC(C3=O)=NO1.[C@H]15COCC[C@H]16.n17ncnn1.C4(=O)C7.N35.N46
|
CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@]3(C)CO[C@H](C)CO3)CC[C@H]2CO)CC1
|
CCNCCCC=O)N[C@@H]CNC=O)[C@]C)CO[C@H]C)CO6)))))))CC[C@H]6CO))))))))))CC6
|
[C][C][N][C][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@][Branch1][C][C][C][O][C@H1][Branch1][C][C][C][O][Ring1][Branch2][C][C][C@H1][Ring1][S][C][O][C][C][Ring2][Ring1][O]
|
[C@@H]17CN5CC[C@H]1%10.[C@@]18(C)CO[C@H](C)CO1.N16CCC9CC1.C49=O.C58=O.CC6.N47.C%10O
|
C=CCn1cc(C(=O)NCC2(CCNC(=O)C[C@H](C)n3cccn3)CC2)nn1
|
C=CCnccC=O)NCCCCNC=O)C[C@H]C)ncccn5)))))))))))CC3))))))nn5
|
[C][=C][C][N][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][S][N][=N][Ring2][Ring1][=Branch2]
|
n19cc8nn1.C5(=O)C[C@@H]%10C.n1%10cccn1.C1%11%12CC1.C=CC9.C48=O.C%12C7.N46.C6%11.N57
|
C[C@H](NC(=O)C1CCC=CCC1)[C@@H](C)C(=O)N[C@@H]1CCC12CCCC2
|
C[C@H]NC=O)CCCC=CCC7)))))))))[C@@H]C)C=O)N[C@@H]CCC4CCCC5
|
[C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][C][Ring1][#Branch1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][Ring1][Ring2][C][C][C][C][Ring1][Branch1]
|
[C@@H]16CCC12CCCC2.C[C@H]5[C@@H](C)C4=O.C17CCC=CCC1.C37=O.N35.N46
|
CCC(F)(F)CC(=O)N[C@H]1CC[C@H]1NC(=O)COc1ccc2c(c1)CCC2
|
CCCF)F)CC=O)N[C@H]CC[C@H]4NC=O)COcccccc6)CCC5
|
[C][C][C][Branch1][C][F][Branch1][C][F][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1]
|
c16ccc2c(c1)CCC2.CCC(F)(F)CC3=O.[C@H]17CC[C@H]18.C4(=O)C5.N37.N48.O56
|
C=CCCC1(C(=O)NCc2ccncn2)CN(C(=O)C[C@H](C)c2ccco2)C1
|
C=CCCCC=O)NCcccncn6)))))))))CNC=O)C[C@H]C)cccco5))))))))C4
|
[C][=C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=N][Ring1][=Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Branch2]
|
C169CN4C1.c17ccncn1.C4(=O)C[C@@H]8C.c18ccco1.C=CCC9.C36=O.N35.C57
|
Cc1ccc(-n2cc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)n3)nn2)cc1Cl
|
Ccccc-nccCNC)C=O)cccc[N+]=O)[O-]))cC)n6)))))))))nn5)))))cc6Cl
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=C][Branch2][Ring1][N][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][=N][Ring1][#Branch2][N][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][Cl]
|
c16ccc([N+](=O)[O-])c(C)n1.Cc1ccc8cc1Cl.n18cc7nn1.N45C.C46=O.C57
|
C[C@@H]1CC[C@@H](C(=O)NCC2(F)CN(C(=O)CCC(=O)c3ccncc3)C2)C(=O)N1
|
C[C@@H]CC[C@@H]C=O)NCCF)CNC=O)CCC=O)cccncc6))))))))))C4)))))))C=O)N6
|
[C][C@@H1][C][C][C@@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][N]
|
C[C@@H]1CC[C@@H]7C(=O)N1.C5(=O)CCC8=O.C19(F)CN5C1.c18ccncc1.C47=O.N46.C69
|
C[C@@H](CNC(=O)C=CC1CCC1)CC(=O)N[C@H]1CCN(CCF)C1
|
C[C@@H]CNC=O)C=CCCCC4)))))))))CC=O)N[C@H]CCNCCF)))C5
|
[C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][Ring2][C][C][F][C][Ring1][Branch2]
|
C[C@@H](C4)CC3=O.[C@H]16CCN5C1.C=7C1CCC1.C2(=O)C=7.C5CF.N24.N36
|
Cc1cnoc1C(=O)NC[C@H]1CCCC[C@H]1NC(=O)C1CC2(CCCCC2)C1
|
Cccnoc5C=O)NC[C@H]CCCC[C@H]6NC=O)CCCCCCCC6)))))C4
|
[C][C][C][=N][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=Branch2]
|
C18CC2(CCCCC2)C1.[C@H]19CCCC[C@H]16.Cc1cnoc17.C37=O.C48=O.N35.C59.N46
|
C#CCN(CC(=O)N1CC[C@@](C)(CCC)C1)C(=O)C[C@H](C)n1cccc1
|
C#CCNCC=O)NCC[C@@]C)CCC)))C5)))))))C=O)C[C@H]C)ncccc5
|
[C][#C][C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][C][Branch1][Ring2][C][C][C][C][Ring1][=Branch2][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][N][C][=C][C][=C][Ring1][Branch1]
|
N12CC[C@]7(C)C1.C3(=O)C[C@@H]6C.n16cccc1.C5C2=O.C#CC4.N345.C7CC
|
CC(C)OCCC(=O)NCCC1CC(Nc2cc(C(N)=O)ccc2[N+](=O)[O-])C1
|
CCC)OCCC=O)NCCCCCNcccCN)=O))ccc6[N+]=O)[O-])))))))))C4
|
[C][C][Branch1][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][C][Ring1][P]
|
c17cc9ccc1[N+](=O)[O-].C5CC3=O.C1%10CC8C1.CC4C.C6C%10.C9(N)=O.O45.N36.N78
|
CCCCCN(CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)CN(C)C2CC2)C1)C(C)C
|
CCCCCNCCC=O)N[C@@H]CCC[C@@H]NC=O)CNC)CCC3)))))))C6))))))))))CC)C
|
[C][C][C][C][C][N][Branch2][Ring1][P][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][Ring1][#C][C][Branch1][C][C][C]
|
[C@@H]19CCC[C@@H]%10C1.CCCCC5.C6CC3=O.C4(=O)C7.N568.N7%11C.C1%11CC1.C8(C)C.N39.N4%10
|
Cc1nc(N)cnc1C(=O)NC[C@@](C)(NC(=O)c1ccsc1Br)C(C)C
|
CcncN)cnc6C=O)NC[C@@]C)NC=O)cccsc5Br))))))))CC)C
|
[C][C][=N][C][Branch1][C][N][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][Br][C][Branch1][C][C][C]
|
Cc1nc(N)cnc16.C4[C@]5(C)C(C)C.c17ccsc1Br.C26=O.C37=O.N24.N35
|
Cc1cc(C(=O)NCc2n[nH]cc2C(=O)N[C@H](CCO)CN(C)C)cnc1C
|
CcccC=O)NCcn[nH]cc5C=O)N[C@H]CCO)))CNC)C))))))))))))))cnc6C
|
[C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring2][C][C][O][C][N][Branch1][C][C][C][=C][N][=C][Ring2][Ring1][#Branch2][C]
|
Cc1cc8cnc1C.c1%10n[nH]cc19.[C@H]6(C7)CCO.C38=O.C49=O.N7(C)C.N35.C5%10.N46
|
CCC[C@@](C)(CC)NC(=O)C1(CCOC)CCN(C(=O)[C@@H](N=[N+]=[N-])C(C)C)CC1
|
CCC[C@@]C)CC))NC=O)CCCOC))))CCNC=O)[C@@H]N=[N+]=[N-])))CC)C))))CC6
|
[C][C][C][C@@][Branch1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][Branch1][Ring2][N][=N+1][=N-1][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring1]
|
C3(=O)[C@@H](N=[N+]=[N-])C(C)C.C167CCN3CC1.CCC[C@@]5(C)CC.C26=O.C7C4.N25.O4C
|
COC(=O)CCCC(=O)NC1CC(O)(CNC(=O)Cn2cc(Cl)c(O)nc2=O)C1
|
COC=O)CCCC=O)NCCCO)CNC=O)CnccCl)cO)nc6=O)))))))))))C4
|
[C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Cl][C][Branch1][C][O][=N][C][Ring1][Branch2][=O][C][Ring2][Ring1][Ring1]
|
n18cc(Cl)c(O)nc1=O.C3(=O)CCCC4=O.C17CC9(O)C1.C5(=O)C8.CO3.N47.C69.N56
|
C#CCOCCOCC(=O)N[C@@H](C(C)C)[C@@H](C)NC(=O)c1onc2ccccc12
|
C#CCOCCOCC=O)N[C@@H]CC)C))[C@@H]C)NC=O)concccccc96
|
[C][#C][C][O][C][C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][O][N][=C][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1]
|
c1%11onc2ccccc12.[C@H]9(C(C)C)[C@H]%10C.C8C3=O.C#CC5.C6C7.C4%11=O.O56.O78.N39.N4%10
|
CCc1cnn(CC(=O)NCCC(C)(C)C(=O)N2CCO[C@@H](CC3CC3)C2)c1
|
CCccnnCC=O)NCCCC)C)C=O)NCCO[C@@H]CCCC3))))C6)))))))))))))c5
|
[C][C][C][C][=N][N][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][=Ring2][Ring1][#Branch2]
|
C6CC(C)(C)C5=O.N15CCO[C@@H]8C1.c1%10cnn7c1.C7C4=O.C19CC1.CC%10.N46.C89
|
Cc1ccc(CC(=O)NC[C@@H]2C[C@H](NC(=O)CC(C)(C)O)C23CCC3)cc1C
|
CccccCC=O)NC[C@@H]C[C@H]NC=O)CCC)C)O)))))C4CCC4)))))))))))cc6C
|
[C][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][N][C][C][C][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C]
|
Cc1ccc9cc1C.[C@@H]18C[C@H]7C12CCC2.C5(=O)CC(C)(C)O.C9C4=O.N46.C68.N57
|
CON1CCC(N(C)C(=O)[C@]2(NC(=O)[C@H]3C[C@@H]3C3CCCC3)C[C@@H](O)C2)CC1
|
CONCCCNC)C=O)[C@]NC=O)[C@H]C[C@@H]3CCCCC5))))))))))C[C@@H]O)C4))))))CC6
|
[C][O][N][C][C][C][Branch2][Ring2][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C@][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][C][C][C][C][C][Ring1][Branch1][C][C@@H1][Branch1][C][O][C][Ring1][S][C][C][Ring2][Ring1][#Branch2]
|
CON1CCC7CC1.[C@H]19C[C@@H]1C1CCCC1.[C@]168C[C@@H](O)C1.N47C.C48=O.C59=O.N56
|
CO[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1CCN=c1c(C)c[nH]cc1[N+](=O)[O-])C1CCC1
|
CO[C@H]C=O)NCCC[C@@H]C)[C@@H]6CCN=ccC)c[nH]cc6[N+]=O)[O-]))))))))))))))))))CCCC4
|
[C][O][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][C][C@@H1][Ring1][#Branch1][C][C][N][=C][C][Branch1][C][C][=C][NH1][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][C][C][C][Ring1][Ring2]
|
C4CN=c1c(C)c[nH]cc1[N+](=O)[O-].N12CCC[C@@H](C)[C@@H]14.[C@H]35C2=O.C15CCC1.CO3
|
Cc1ccc(/C=C/C(=O)N[C@H]2CC[C@@H](C(=O)N3[C@H](C)CC3(C)C)C2)cc1
|
Ccccc/C=C/C=O)N[C@H]CC[C@@H]C=O)N[C@H]C)CC4C)C))))))C5)))))))))cc6
|
[C][C][=C][C][=C][Branch2][Ring2][Ring1][/C][=C][/C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch2]
|
Cc1ccc(C=8)cc1.N15[C@H](C)CC1(C)C.[C@H]16CC[C@@H]7C1.C=8C4=O.C57=O.N46
|
CCN(CCCNC(=O)C[C@H]1CC2CCC1CC2)C(=O)c1ccc(Cl)c(O)c1N
|
CCNCCCNC=O)C[C@H]CCCCC6CC6))))))))))))))C=O)ccccCl)cO)c6N
|
[C][C][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][O][=C][Ring1][Branch2][N]
|
c18ccc(Cl)c(O)c1N.[C@H]19CC2CCC1CC2.C6CC7.C3(=O)C9.N456.C48=O.CC5.N37
|
C[C@@H](C(=O)N[C@]1(CO)CCN(C(=O)CC2(c3ccon3)CC2)C1)N(C)C
|
C[C@@H]C=O)N[C@]CO))CCNC=O)CCcccon5)))))CC3)))))C5)))))))NC)C
|
[C][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@][Branch1][Ring1][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][C][C][Ring1][Branch2][C][Ring2][Ring1][C][N][Branch1][C][C][C]
|
[C@@]178CCN5C1.C[C@H]6C4=O.c1%10ccon1.C5(=O)C9.C19%10CC1.N6(C)C.N47.C8O
|
CC#CCCC(=O)N[C@H]1CCN(C(=O)COc2cccc(C)c2)C1(C)C
|
CC#CCCC=O)N[C@H]CCNC=O)COcccccC)c6)))))))))C5C)C
|
[C][C][#C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][S][Branch1][C][C][C]
|
[C@H]17CCN4C1(C)C.CC#CCCC3=O.c16cccc(C)c1.C4(=O)C5.N37.O56
|
C[C@H](CN(C)C(=O)c1ccc(C2CC2)cc1)NC(=O)C[C@@H]1CC2(CCC2)CO1
|
C[C@H]CNC)C=O)ccccCCC3)))cc6)))))))))NC=O)C[C@@H]CCCCC4)))CO5
|
[C][C@H1][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C@@H1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][Branch2]
|
[C@@H]18CC2(CCC2)CO1.c17ccc9cc1.C[C@@H]5C6.C4(=O)C8.N36C.C37=O.C19CC1.N45
|
CN1CC[C@H](C(=O)N2CC[C@@H](CO)[C@H](NC(=O)CC3(C(F)(F)F)CCC3)C2)C1=O
|
CNCC[C@H]C=O)NCC[C@@H]CO))[C@H]NC=O)CCCF)F)F))CCC4)))))))C6)))))))C5=O
|
[C][N][C][C][C@H1][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][Ring1][C][O][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring1][Branch2][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][O][=O]
|
N14CC[C@@H]8[C@H]6C1.CN1CC[C@H]7C1=O.C19%10CCC1.C5(=O)C9.C%10(F)(F)F.C47=O.C8O.N56
|
Cn1cc(-c2ncc(C(=O)N3CC[C@H](C(C)(C)NC(=O)[C@@H]4CC4(C)C)C3)s2)cn1
|
Cncc-cnccC=O)NCC[C@H]CC)C)NC=O)[C@@H]CC3C)C)))))))C5))))))s5)))))cn5
|
[C][N][C][=C][Branch2][Ring2][#C][C][=N][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][Branch1][C][C][C][C][Ring1][S][S][Ring2][Ring1][#Branch1][C][=N][Ring2][Ring1][N]
|
Cn1cc%11cn1.c1%11ncc8s1.N15CC[C@H]%10C1.[C@@H]19CC1(C)C.C7%10(C)C.C58=O.C69=O.N67
|
COCc1cccc(C(=O)N[C@H](C)[C@@H](CO)NC(=O)[C@H]2Cc3ccc(Cl)cc32)c1
|
COCcccccC=O)N[C@H]C)[C@@H]CO))NC=O)[C@H]CccccCl)cc68))))))))))))))c6
|
[C][O][C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][=Branch2][=C][Ring2][Ring1][#Branch2]
|
C5(=O)[C@H]1Cc2ccc(Cl)cc21.c1%10cccc9c1.[C@@H]7(C)[C@H]8CO.C49=O.CO6.C6%10.N47.N58
|
CN1CC[C@@H](Nc2cc(S(=O)(=O)NCC[C@@H]3CCSC3)ccc2C#N)C1
|
CNCC[C@@H]NcccS=O)=O)NCC[C@@H]CCSC5)))))))))ccc6C#N)))))))))C5
|
[C][N][C][C][C@@H1][Branch2][Ring1][S][N][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C@@H1][C][C][S][C][Ring1][Branch1][=C][C][=C][Ring1][P][C][#N][C][Ring2][Ring1][=Branch2]
|
c16cc(S5(=O)=O)ccc1C#N.CN1CC[C@@H]7C1.[C@@H]18CCSC1.C4C8.N67.N45
|
CCc1ncc(Cl)c(C(=O)N2CCC(CCNC(=O)[C@H]3CC(=O)N(C)C3)CC2)n1
|
CCcnccCl)cC=O)NCCCCCNC=O)[C@H]CC=O)NC)C5)))))))))CC6)))))))n6
|
[C][C][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][O]
|
c19ncc(Cl)c7n1.N14CCC%10CC1.[C@H]18CC(=O)N(C)C1.C47=O.C%10C6.C58=O.CC9.N56
|
CCn1nnc(C(=O)NC[C@@H](O)C(=O)NCC2(C)CC2)c1C
|
CCnnncC=O)NC[C@@H]O)C=O)NCCC)CC3))))))))))c5C
|
[C][C][N][N][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Ring1][Ring2][=C][Ring2][Ring1][Ring1][C]
|
n18nnc7c1C.C5[C@@H](O)C4=O.C19(C)CC1.C37=O.CC8.N35.N46.C69
|
CCc1ncc(C(=O)N2CCCC[C@@H](CNC(=O)[C@@H](CC)C(C)C)CC2)[nH]1
|
CCcnccC=O)NCCCC[C@@H]CNC=O)[C@@H]CC))CC)C))))))CC8)))))))))[nH]5
|
[C][C][C][=N][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][C][NH1][Ring2][Ring1][=Branch2]
|
N13CCCC[C@@H]8CC1.C4(=O)[C@@H](CC)C(C)C.c17ncc6[nH]1.C36=O.CC7.C58.N45
|
CC1=C(C(=O)NC(C)(C)CCCNC(=O)[C@@H](C)OCc2ccccc2C)CCO1
|
CC=CC=O)NCC)C)CCCNC=O)[C@@H]C)OCcccccc6C))))))))))))))))))CCO5
|
[C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][O][Ring2][Ring1][N]
|
CC1=C(C3=O)CCO1.C7(C)(C)CCC8.c19ccccc1C.C4(=O)[C@H]5C.N37.N48.O56.C69
|
CC(C)C[C@]1(C(=O)NC[C@](C)(NC(=O)c2cnn(C)n2)C(C)C)CCNC1=O
|
CCC)C[C@]C=O)NC[C@]C)NC=O)ccnnC)n5)))))))CC)C))))))CCNC5=O
|
[C][C][Branch1][C][C][C][C@][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][Branch1][C][C][C][C][C][N][C][Ring2][Ring1][#Branch1][=O]
|
[C@]189CCNC1=O.C5[C@@]6(C)C(C)C.c17cnn(C)n1.CC(C)C9.C38=O.C47=O.N35.N46
|
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