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<|startoftext|><L>CN<mask_1:1>(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O<mask_1:1>
0
2
1
1
CNC(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
C
<|startoftext|><L>CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C<mask_1:4>C)ccc1=O<mask_1:4>
6
28
4
(C)(C)
4
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(CC(C)C)ccc1=O
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
C(C)
<|startoftext|><L>CN<mask_1:4>(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O<mask_1:4>
0
2
4
4
CN(C)N(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
(C)N
<|startoftext|><L>CN(Cc1ccc2c<mask_1:5>CO2)Cn1nc(C(C)(C)C)ccc1=O<mask_1:5>
6
11
5
(c1)OC
5
CN(Cc1ccc2c(c1)OCO2)Cn1nc(C(C)(C)C)ccc1=O
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
(c1)O
<|startoftext|><L>CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C<mask_1:3>(C)C)ccc1=O<mask_1:3>
1
30
3
)
3
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(Cl)C(C)C)ccc1=O
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
l)C
<|startoftext|><L>CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(<mask_1:5>C)C)ccc1=O<mask_1:5>
0
32
5
5
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)CC(C)C)ccc1=O
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
C)CC(
<|startoftext|><L>CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(<mask_1:4>C)C)ccc1=O<mask_1:4>
0
32
4
4
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C(C)C)ccc1=O
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
C)C(
<|startoftext|><L>CN(Cc1ccc2c(c1)OCCO<mask_1:5>c(C(C)(C)C)ccc1=O<mask_1:5>
6
19
5
2)Cn1n
5
CN(Cc1ccc2c(c1)OCCO2)n1nc(C(C)(C)C)ccc1=O
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
2)n1n
<|startoftext|><L>CN(<mask_1:4>ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O<mask_1:4>
3
3
4
Cc1
4
CN(CCc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
CCc1
<|startoftext|><L>CN(Cc1ccc2c(c1)OCCO2)Cn1nc(<mask_1:1>(C)C)ccc1=O<mask_1:1>
4
27
1
C(C)
1
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)C)ccc1=O
CN(Cc1ccc2c(c1)OCCO2)Cn1nc(C(C)(C)C)ccc1=O
C
<|startoftext|><L>CCC1=NO[C@H](CNC(=O)<mask_1:5>cc(C)n3nc(C)cc3n2)C1<mask_1:5>
2
20
5
c2
5
CCC1=NO[C@H](CNC(=O)CCCc2cc(C)n3nc(C)cc3n2)C1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
CCCc2
<|startoftext|><L>CCC1<mask_1:3>H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1<mask_1:3>
6
4
3
=NO[C@
3
CCC1[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
[C@
<|startoftext|><L>CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C<mask_1:4>3n2)C1<mask_1:4>
3
33
4
)cc
4
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(CC)cc3n2)C1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
C)cc
<|startoftext|><L>CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C<mask_1:5>)cc3n2)C1<mask_1:5>
0
33
5
5
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C(C)=O)cc3n2)C1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
(C)=O
<|startoftext|><L>CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc<mask_1:1>c3n2)C1<mask_1:1>
4
31
1
(C)c
1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nccc3n2)C1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
c
<|startoftext|><L>CCC1=NO[C@H](CNC(=O)<mask_1:2>c2cc(C)n3nc(C)cc3n2)C1<mask_1:2>
0
20
2
2
CCC1=NO[C@H](CNC(=O)CCc2cc(C)n3nc(C)cc3n2)C1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
CC
<|startoftext|><L>CCC1=NO[C@H](CNC(=O)c<mask_1:3>n3nc(C)cc3n2)C1<mask_1:3>
6
21
3
2cc(C)
3
CCC1=NO[C@H](CNC(=O)c2ccn3nc(C)cc3n2)C1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
2cc
<|startoftext|><L>CCC1=NO[C@H](CNC(=O)c2c<mask_1:3>nc(C)cc3n2)C1<mask_1:3>
6
23
3
c(C)n3
3
CCC1=NO[C@H](CNC(=O)c2cn3cnc(C)cc3n2)C1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
n3c
<|startoftext|><L>CCC1=NO[C@H](CNC<mask_1:2>cc(C)n3nc(C)cc3n2)C1<mask_1:2>
6
16
2
(=O)c2
2
CCC1=NO[C@H](CNCc2cc(C)n3nc(C)cc3n2)C1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
c2
<|startoftext|><L>CCC1=NO[C@<mask_1:1>H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1<mask_1:1>
0
10
1
1
CCC1=NO[C@@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1
@
<|startoftext|><L>N#Cc1ccccc1OCC(=<mask_1:6>(=O)N[C@H]1CCS(=O)(=O)C1<mask_1:6>
5
16
6
O)OCC
6
N#Cc1ccccc1OCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
O)NCCC
<|startoftext|><L>N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H<mask_1:6>CCS(=O)(=O)C1<mask_1:6>
2
30
6
]1
6
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCCCCCS(=O)(=O)C1
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
]1CCCC
<|startoftext|><L>N#Cc<mask_1:5>cccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1<mask_1:5>
2
4
5
1c
5
N#Cc1c(F)cccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
1c(F)
<|startoftext|><L>N#Cc1ccccc1OCC(=O)OCC<mask_1:3>N[C@H]1CCS(=O)(=O)C1<mask_1:3>
4
21
3
(=O)
3
N#Cc1ccccc1OCC(=O)OCCOCCN[C@H]1CCS(=O)(=O)C1
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
OCC
<|startoftext|><L>N#Cc1ccc<mask_1:5>1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1<mask_1:5>
2
8
5
cc
5
N#Cc1ccc(F)cc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
(F)cc
<|startoftext|><L>N#Cc1ccccc1OCC(=O)OCC(=<mask_1:4>O)N[C@H]1CCS(=O)(=O)C1<mask_1:4>
0
23
4
4
N#Cc1ccccc1OCC(=O)OCC(=O)N(O)N[C@H]1CCS(=O)(=O)C1
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
O)N(
<|startoftext|><L>N#Cc1ccccc<mask_1:4>CC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1<mask_1:4>
2
10
4
1O
4
N#Cc1ccccc1OCCCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
1OCC
<|startoftext|><L>N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1C<mask_1:6>)(=O)C1<mask_1:6>
5
33
6
CS(=O
6
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCCS(=O)(=O)C1
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
CCS(=O
<|startoftext|><L>N#Cc1ccccc1O<mask_1:2>=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1<mask_1:2>
3
12
2
CC(
2
N#Cc1ccccc1OC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
C(
<|startoftext|><L>N#Cc1ccc<mask_1:5>c1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1<mask_1:5>
1
8
5
c
5
N#Cc1ccc(Cl)cc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
N#Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
(Cl)c
<|startoftext|><L>CC(C)(O<mask_1:5>1ccc(C(=O)NCCN2CCCOC2=O)cc1<mask_1:5>
4
7
5
)CCc
5
CC(C)(O)C#Cc1ccc(C(=O)NCCN2CCCOC2=O)cc1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
)C#Cc
<|startoftext|><L>CC(C)(O)CCc1ccc(C(=O)NCCN2CCC<mask_1:3>)cc1<mask_1:3>
5
29
3
OC2=O
3
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCCC2)cc1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
CC2
<|startoftext|><L>CC(C)(O)CCc1ccc(C(=O)NCCN2CCC<mask_1:3>C2=O)cc1<mask_1:3>
1
29
3
O
3
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCCCCC2=O)cc1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
CCC
<|startoftext|><L>CC(C)(O)CCc1ccc(C(=O)N<mask_1:5>N2CCCOC2=O)cc1<mask_1:5>
2
22
5
CC
5
CC(C)(O)CCc1ccc(C(=O)N(C)CCN2CCCOC2=O)cc1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
(C)CC
<|startoftext|><L>CC(C)(O)CCc1ccc(C(=O)NCCN<mask_1:3>CCOC2=O)cc1<mask_1:3>
2
25
3
2C
3
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCCOC2=O)cc1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
2CC
<|startoftext|><L>CC(C)(O)CCc1<mask_1:2>C(=O)NCCN2CCCOC2=O)cc1<mask_1:2>
4
12
2
ccc(
2
CC(C)(O)CCc1c(C(=O)NCCN2CCCOC2=O)cc1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
c(
<|startoftext|><L>CC(C)(O)CCc1ccc(C(=O)NCCN2C<mask_1:3>=O)cc1<mask_1:3>
5
27
3
CCOC2
3
CC(C)(O)CCc1ccc(C(=O)NCCN2CCC2=O)cc1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
CC2
<|startoftext|><L>C<mask_1:3>(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1<mask_1:3>
4
1
3
C(C)
3
C=CC(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
=CC
<|startoftext|><L>CC(C)(O)CCc1ccc(C(=O)NCCN2<mask_1:1>COC2=O)cc1<mask_1:1>
2
26
1
CC
1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCOC2=O)cc1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
C
<|startoftext|><L>CC(C)(O)CCc1ccc(C(=O)NCCN2CC<mask_1:5>2=O)cc1<mask_1:5>
3
28
5
COC
5
CC(C)(O)CCc1ccc(C(=O)NCCN2CCC(O)C2=O)cc1
CC(C)(O)CCc1ccc(C(=O)NCCN2CCCOC2=O)cc1
C(O)C
<|startoftext|><L>CC(=O)Oc1ccc([C@]2(<mask_1:3>(c3ccccc3)=NN2C(C)=O)cc1<mask_1:3>
4
19
3
C)OC
3
CC(=O)Oc1ccc([C@]2(O)C(c3ccccc3)=NN2C(C)=O)cc1
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
O)C
<|startoftext|><L>CC<mask_1:5>(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1<mask_1:5>
0
2
5
5
CC(C)CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
(C)CC
<|startoftext|><L>CC(=O)Oc1ccc([C@]2(C)OC(c3cc<mask_1:5>3)=NN2C(C)=O)cc1<mask_1:5>
3
28
5
ccc
5
CC(=O)Oc1ccc([C@]2(C)OC(c3ccc(C)o3)=NN2C(C)=O)cc1
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
c(C)o
<|startoftext|><L>CC(=O)Oc1ccc([C@]2(C)OC(c3cccc<mask_1:6>=NN2C(C)=O)cc1<mask_1:6>
3
30
6
c3)
6
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=CC=NN2C(C)=O)cc1
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
c3)=CC
<|startoftext|><L>CC(=O)O<mask_1:6>c1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1<mask_1:6>
0
7
6
6
CC(=O)OC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
C(=O)O
<|startoftext|><L><mask_1:7>)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1<mask_1:7>
5
0
7
CC(=O
7
C=CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
C=CC(=O
<|startoftext|><L>CC(<mask_1:5>c1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1<mask_1:5>
4
3
5
=O)O
5
CC(=O)OCc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
=O)OC
<|startoftext|><L>CC(=O<mask_1:6>1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1<mask_1:6>
3
5
6
)Oc
6
CC(=O)OCCOc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
)OCCOc
<|startoftext|><L>CC(=O)Oc1ccc([C@]2(C)<mask_1:5>3ccccc3)=NN2C(C)=O)cc1<mask_1:5>
4
21
5
OC(c
5
CC(=O)Oc1ccc([C@]2(C)NC(Nc3ccccc3)=NN2C(C)=O)cc1
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
NC(Nc
<|startoftext|><L>CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3<mask_1:7>NN2C(C)=O)cc1<mask_1:7>
2
32
7
)=
8
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NC(C)=NN2C(C)=O)cc1
CC(=O)Oc1ccc([C@]2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
)=NC(C)=
<|startoftext|><L>C[C@@H]1CCCCN1C(=O)c1cc<mask_1:6>C(=O)CCC2=O)cc1<mask_1:6>
5
23
6
c(CN2
6
C[C@@H]1CCCCN1C(=O)c1ccc(CN2NC(=O)CCC2=O)cc1
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
c(CN2N
<|startoftext|><L>C[C@@H]1CCCCN1C(=O)c1ccc<mask_1:3>N2C(=O)CCC2=O)cc1<mask_1:3>
2
24
3
(C
3
C[C@@H]1CCCCN1C(=O)c1ccc(CCN2C(=O)CCC2=O)cc1
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
(CC
<|startoftext|><L>C[C@@H]1CCCCN1C(=O)c1ccc(CN2C<mask_1:5>)CCC2=O)cc1<mask_1:5>
3
29
5
(=O
5
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(C)(C)CCC2=O)cc1
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
(C)(C
<|startoftext|><L>C[C@@H]1CCCCN1C<mask_1:5>(=O)c1ccc(CN2C(=O)CCC2=O)cc1<mask_1:5>
0
15
5
5
C[C@@H]1CCCCN1CCCCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
CCCNC
<|startoftext|><L>C[C@@H]1CCCCN1C<mask_1:2>1ccc(CN2C(=O)CCC2=O)cc1<mask_1:2>
5
15
2
(=O)c
2
C[C@@H]1CCCCN1CCc1ccc(CN2C(=O)CCC2=O)cc1
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
Cc
<|startoftext|><L>C[C@@H]1CCCCN1C(=O)c1ccc<mask_1:4>(=O)CCC2=O)cc1<mask_1:4>
5
24
4
(CN2C
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C[C@@H]1CCCCN1C(=O)c1ccc(N2C(=O)CCC2=O)cc1
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
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<|startoftext|><L>C[C@@H]1C<mask_1:5>CCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1<mask_1:5>
1
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C
5
C[C@@H]1CN(C)CCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
N(C)C
<|startoftext|><L>C[C@@H]1CCCCN1C(=O)<mask_1:6>c1ccc(CN2C(=O)CCC2=O)cc1<mask_1:6>
0
19
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C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
C(=O)N
<|startoftext|><L>C[C@@H]1CC<mask_1:4>1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1<mask_1:4>
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10
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CCN
4
C[C@@H]1CCCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
CCCN
<|startoftext|><L>C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CC<mask_1:4>=O)cc1<mask_1:4>
2
35
4
C2
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C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCCNC2=O)cc1
C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
CNC2
<|startoftext|><L>CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c<mask_1:9>[N+](=O)[O-])cc1)C(=O)OCC<mask_1:9>
5
31
9
1ccc(
9
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc(N(C)[N+](=O)[O-])cc1)C(=O)OCC
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
1ccc(N(C)
<|startoftext|><L><mask_1:7>(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC<mask_1:7>
4
0
7
CCOC
7
CS(=O)C(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CS(=O)C
<|startoftext|><L>CCOC(=O)CC/C(=N\Nc1ccccc1/N<mask_1:5>c1ccc([N+](=O)[O-])cc1)C(=O)OCC<mask_1:5>
3
27
5
=C/
5
CCOC(=O)CC/C(=N\Nc1ccccc1/N=N\NCc1ccc([N+](=O)[O-])cc1)C(=O)OCC
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
=N\NC
<|startoftext|><L>CCO<mask_1:4>CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC<mask_1:4>
5
3
4
C(=O)
4
CCOCCCNCC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CCCN
<|startoftext|><L>CCOC(=O)<mask_1:3>Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC<mask_1:3>
8
8
3
CC/C(=N\
3
CCOC(=O)C(=Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
C(=
<|startoftext|><L><mask_1:4>COC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC<mask_1:4>
1
0
4
C
4
CCOCCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CCOC
<|startoftext|><L>CCO<mask_1:2>C(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC<mask_1:2>
0
3
2
2
CCOCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CO
<|startoftext|><L>CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])c<mask_1:6>=O)OCC<mask_1:6>
5
50
6
c1)C(
6
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1O)C(=O)OCC
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
c1O)C(
<|startoftext|><L>CCOC(=O)CC/C<mask_1:8>\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC<mask_1:8>
3
12
8
(=N
8
CCOC(=O)CC/C(=N\C=N\\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
(=N\C=N\
<|startoftext|><L>CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([<mask_1:5>=O)[O-])cc1)C(=O)OCC<mask_1:5>
4
37
5
N+](
4
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
CCOC(=O)CC/C(=N\Nc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC
N+](
<|startoftext|><L>COc1ccc(NC(=O)<mask_1:5>2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl<mask_1:5>
8
14
5
[C@@H](c
5
COc1ccc(NC(=O)CN(Cc2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
CN(Cc
<|startoftext|><L>COc1ccc<mask_1:7>O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl<mask_1:7>
5
7
7
(NC(=
7
COc1ccc(CCNC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
(CCNC(=
<|startoftext|><L>COc1ccc(NC(=O)[C@@H](c2ccccc2)N2<mask_1:3>CCN(c3ccccc3OC)CC2)cc1Cl<mask_1:3>
0
32
3
3
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCNCCN(c3ccccc3OC)CC2)cc1Cl
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
CCN
<|startoftext|><L>COc1ccc(NC(=O<mask_1:3>[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl<mask_1:3>
1
13
3
)
3
COc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
)NC
<|startoftext|><L>COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)<mask_1:5>Cl<mask_1:5>
3
51
5
cc1
5
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1OCCl
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
cc1OC
<|startoftext|><L>COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC<mask_1:6>CC2)cc1Cl<mask_1:6>
1
46
6
)
6
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)C(=O)CC2)cc1Cl
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
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<|startoftext|><L>COc1ccc(N<mask_1:8>=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl<mask_1:8>
2
9
8
C(
8
COc1ccc(NC(=O)NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
C(=O)NC(
<|startoftext|><L>COc1ccc(NC(=<mask_1:8>)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl<mask_1:8>
1
12
8
O
8
COc1ccc(NC(=O)COC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
O)COC(=O
<|startoftext|><L>COc<mask_1:2>c(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl<mask_1:2>
3
3
2
1cc
2
COc1sc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
1s
<|startoftext|><L>COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3O<mask_1:5>C2)cc1Cl<mask_1:5>
3
45
5
C)C
5
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OCCO)CC2)cc1Cl
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl
CCO)C
<|startoftext|><L>CC[C@H](C)C(=O)<mask_1:7>)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1<mask_1:7>
4
15
7
C(=O
7
CC[C@H](C)C(=O)NCCC(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
NCCC(=O
<|startoftext|><L>CC[C@H](C)C(=O)C(=O)N1<mask_1:6>[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1<mask_1:6>
3
22
6
CCC
6
CC[C@H](C)C(=O)C(=O)N1CCN(C)[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
CCN(C)
<|startoftext|><L>CC[C@<mask_1:7>(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1<mask_1:7>
6
5
7
H](C)C
7
CC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
H](C)NC
<|startoftext|><L>CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2<mask_1:5>cc2-c2ccc(F)cc2)C1<mask_1:5>
6
34
5
nc(C)n
5
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
[nH]n
<|startoftext|><L>CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2cc<mask_1:6>cc2)C1<mask_1:6>
4
48
6
c(F)
6
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(C#N)cc2)C1
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
c(C#N)
<|startoftext|><L>CC[C@H](C)C(=O)C(=O)N1CCC[C@@<mask_1:7>nc(C)ncc2-c2ccc(F)cc2)C1<mask_1:7>
5
29
7
H](c2
7
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](CCc2nc(C)ncc2-c2ccc(F)cc2)C1
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
H](CCc2
<|startoftext|><L>CC[C@H](C)C(=O)C(=O)<mask_1:6>[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1<mask_1:6>
5
20
6
N1CCC
6
CC[C@H](C)C(=O)C(=O)N1CCCO[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
N1CCCO
<|startoftext|><L>CC[C@H](<mask_1:6>C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1<mask_1:6>
0
8
6
6
CC[C@H](O)CCN(C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
O)CCN(
<|startoftext|><L>CC[C@H](C)C(=O)C(=O<mask_1:3>CC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1<mask_1:3>
4
19
3
)N1C
3
CC[C@H](C)C(=O)C(=O)N1CC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
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<|startoftext|><L>CC[C@H](C)<mask_1:3>=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1<mask_1:3>
2
10
3
C(
3
CC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1
NC(
<|startoftext|><L>COc1cc(=O)n2c(c1<mask_1:5>c1ccc(F)c(F)c1)CCCC2<mask_1:5>
6
16
5
C(=O)N
5
COc1cc(=O)n2c(c1C(=O)c1ccc(F)c(F)c1)CCCC2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
C(=O)
<|startoftext|><L>COc1cc(=O)n2c(c1C(=O<mask_1:3>Nc1ccc(F)c(F)c1)CCCC2<mask_1:3>
1
20
3
)
3
COc1cc(=O)n2c(c1C(=O)NCNc1ccc(F)c(F)c1)CCCC2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
)NC
<|startoftext|><L>COc1cc(=O)n2c(c1C(=O)N<mask_1:5>1ccc(F)c(F)c1)CCCC2<mask_1:5>
1
22
5
c
5
COc1cc(=O)n2c(c1C(=O)N(C)Cc1ccc(F)c(F)c1)CCCC2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
(C)Cc
<|startoftext|><L>COc1<mask_1:3>)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2<mask_1:3>
5
4
3
cc(=O
3
COc1c(C)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
c(C
<|startoftext|><L>COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)<mask_1:2>1)CCCC2<mask_1:2>
5
30
2
c(F)c
2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1)CCCC2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
cc
<|startoftext|><L>COc1cc(=O)n2c(c1C(=O)Nc<mask_1:6>F)c(F)c1)CCCC2<mask_1:6>
5
23
6
1ccc(
6
COc1cc(=O)n2c(c1C(=O)Nc1ccc(CF)c(F)c1)CCCC2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
1ccc(C
<|startoftext|><L>CO<mask_1:4>1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2<mask_1:4>
1
2
4
c
4
COCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
CCOc
<|startoftext|><L>COc1cc(=O)n2c(c1C(=O)Nc1c<mask_1:5>(F)c(F)c1)CCCC2<mask_1:5>
2
25
5
cc
5
COc1cc(=O)n2c(c1C(=O)Nc1cc(F)c(F)c(F)c1)CCCC2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
c(F)c
<|startoftext|><L>COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1<mask_1:3>CCCC2<mask_1:3>
1
36
3
)
3
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCCCC2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
)CC
<|startoftext|><L>COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)<mask_1:5>CCC2<mask_1:5>
4
34
5
c1)C
5
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1F)CCCC2
COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)c(F)c1)CCCC2
c1F)C