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<|startoftext|><L>C[C@@H](c1cnc<mask_1:7>n1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1<mask_1:7>
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c
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C[C@@H](c1cnc2ccccc2n1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
2ccccc2
<|startoftext|><L>C<mask_1:7>C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1<mask_1:7>
1
1
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[
7
CCN(CC)[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
CN(CC)[
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)n<mask_1:5>1<mask_1:5>
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47
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o
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C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)nc(O)n1
C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
c(O)n
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(<mask_1:5>=O)OC(C)(C)C)CCC2)no1<mask_1:5>
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22
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C2(NC(
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C[C@@H](c1cnccn1)c1nc(C2(C(=O)OC(C)(C)C)CCC2)no1
C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
C2(C(
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(C2(NC(<mask_1:6>)(C)C)CCC2)no1<mask_1:6>
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28
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=O)OC(C
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C[C@@H](c1cnccn1)c1nc(C2(NC(=O)C(C)(C)C)CCC2)no1
C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
=O)C(C
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)<mask_1:3>CC2)no1<mask_1:3>
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36
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(C)C)C
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C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)C)CCC2)no1
C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
C)C
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C<mask_1:4>CCC2)no1<mask_1:4>
3
38
4
)C)
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C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1
C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
)C)C
<|startoftext|><L>C[C@@H](c1<mask_1:3>)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1<mask_1:3>
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cnccn1
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C[C@@H](c1cs1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
cs1
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC<mask_1:5>)CCC2)no1<mask_1:5>
7
33
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(C)(C)C
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C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OCC3CC3)CCC2)no1
C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
C3CC3
<|startoftext|><L><mask_1:5>@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1<mask_1:5>
3
0
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C[C
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CCO[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
CCO[C
<|startoftext|><L><mask_1:1>1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1<mask_1:1>
2
0
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Cc
1
c1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
c
<|startoftext|><L>Cc1noc(C)c1S(=O)(=O)N1CC[C<mask_1:3>](C(=O)O)C1<mask_1:3>
2
26
3
@H
3
Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](C(=O)O)C1
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
@@H
<|startoftext|><L>Cc1noc(C)c<mask_1:4>=O)(=O)N1CC[C@H](C(=O)O)C1<mask_1:4>
3
10
4
1S(
4
Cc1noc(C)c1CS(=O)(=O)N1CC[C@H](C(=O)O)C1
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
1CS(
<|startoftext|><L>Cc1noc<mask_1:5>)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1<mask_1:5>
2
6
5
(C
5
Cc1noc(CCCN)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
(CCCN
<|startoftext|><L>Cc1no<mask_1:2>1S(=O)(=O)N1CC[C@H](C(=O)O)C1<mask_1:2>
5
5
2
c(C)c
2
Cc1nocc1S(=O)(=O)N1CC[C@H](C(=O)O)C1
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
cc
<|startoftext|><L>Cc1noc(C)c1S(=O)(=O<mask_1:5>CC[C@H](C(=O)O)C1<mask_1:5>
3
19
5
)N1
5
Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H](C(=O)O)C1
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
)N1CC
<|startoftext|><L>Cc1<mask_1:5>C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1<mask_1:5>
4
3
5
noc(
5
Cc1cccc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
cccc(
<|startoftext|><L>Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)<mask_1:3>)C1<mask_1:3>
1
35
3
O
3
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)OCC)C1
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
OCC
<|startoftext|><L>Cc1noc(C)c1S(=O)(=O)N1CC[<mask_1:5>](C(=O)O)C1<mask_1:5>
3
25
5
C@H
4
Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](C(=O)O)C1
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
C@@H
<|startoftext|><L>Cc1noc(C)c1S(=<mask_1:3>O)N1CC[C@H](C(=O)O)C1<mask_1:3>
4
14
3
O)(=
3
Cc1noc(C)c1S(=O)(O)N1CC[C@H](C(=O)O)C1
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1
O)(
<|startoftext|><L>CN(C)c1ccc(NC(=<mask_1:5>ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:5>
4
15
5
O)c2
5
CN(C)c1ccc(NC(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
O)Nc2
<|startoftext|><L>CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc<mask_1:7>c4c3c2)cc1<mask_1:7>
2
37
7
5n
7
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc(=O)c4c3c2)cc1
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
5nc(=O)
<|startoftext|><L>CN(C)c1cc<mask_1:5>)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:5>
7
9
5
c(NC(=O
5
CN(C)c1ccc(N(C)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
c(N(C
<|startoftext|><L>CN(C)c1ccc<mask_1:5>=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:5>
4
10
5
(NC(
5
CN(C)c1ccc(CNC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
(CNC(
<|startoftext|><L>CN(C)c<mask_1:1>(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:1>
4
6
1
1ccc
1
CN(C)c1(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
1
<|startoftext|><L>CN(C)c1ccc(NC<mask_1:7>(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:7>
0
13
7
7
CN(C)c1ccc(NC(=O)COC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
(=O)COC
<|startoftext|><L>CN(C)c1ccc<mask_1:4>c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:4>
7
10
4
(NC(=O)
4
CN(C)c1ccc(CNCc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
(CNC
<|startoftext|><L>CN(C)<mask_1:2>1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:2>
1
5
2
c
2
CN(C)Cc1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
Cc
<|startoftext|><L><mask_1:1>CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:1>
0
0
1
1
CCN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
C
<|startoftext|><L>C<mask_1:7>C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:7>
2
1
7
N(
7
CC[C@H](C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
C[C@H](
<|startoftext|><L>CN1C(=O)<mask_1:5>](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:5>
6
8
5
CC[C@H
5
CN1C(=O)C[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
C[C@H
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC<mask_1:8>)[C@@H]1c1ccccc1<mask_1:8>
1
41
8
2
8
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[CH](O)[C@@H]1c1ccccc1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
2)[CH](O
<|startoftext|><L>CN1C(=O)CC[C@H](C<mask_1:1>O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:1>
2
17
1
(=
1
CN1C(=O)CC[C@H](C(O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
(
<|startoftext|><L>CN1C(<mask_1:7>O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:7>
1
5
7
=
7
CN1C(=O)NC(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
=O)NC(=
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2C<mask_1:8>c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:8>
3
24
8
CN(
8
CN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
CN(C(=O)
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N<mask_1:3>2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:3>
0
22
3
3
CN1C(=O)CC[C@H](C(=O)NCCN2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
CCN
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O<mask_1:7>)[C@@H]1c1ccccc1<mask_1:7>
8
34
7
)cc3)CC2
7
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)C2)[C@@H]1c1ccccc1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
)cc3)C2
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1cc<mask_1:7>1<mask_1:7>
3
54
7
ccc
7
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccc(Cl)cc1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
c(Cl)cc
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)C<mask_1:1>C2)[C@@H]1c1ccccc1<mask_1:1>
0
40
1
1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CCC2)[C@@H]1c1ccccc1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
C
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc<mask_1:8>O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:8>
1
32
8
(
8
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(CC(=O)OO)cc3)CC2)[C@@H]1c1ccccc1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1
(CC(=O)O
<|startoftext|><L>COc1ccccc1<mask_1:1>1nc2c(s1)CCc1ccccc1-2<mask_1:1>
2
10
1
Nc
1
COc1ccccc1c1nc2c(s1)CCc1ccccc1-2
COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
c
<|startoftext|><L>CO<mask_1:2>c1ccccc1Nc1nc2c(s1)CCc1ccccc1-2<mask_1:2>
0
2
2
2
COCCc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
CC
<|startoftext|><L>COc1ccccc1Nc1nc2c(s1)CCc1ccc<mask_1:2>-2<mask_1:2>
3
28
2
cc1
2
COc1ccccc1Nc1nc2c(s1)CCc1cccn1-2
COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
n1
<|startoftext|><L><mask_1:4>1ccccc1Nc1nc2c(s1)CCc1ccccc1-2<mask_1:4>
3
0
4
COc
4
CCOc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
CCOc
<|startoftext|><L>CO<mask_1:3>ccccc1Nc1nc2c(s1)CCc1ccccc1-2<mask_1:3>
2
2
3
c1
3
COCc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
Cc1
<|startoftext|><L>COc1ccccc1Nc1nc2c(s1)CCc1cc<mask_1:1>c1-2<mask_1:1>
2
27
1
cc
1
COc1ccccc1Nc1nc2c(s1)CCc1ccoc1-2
COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
o
<|startoftext|><L>COc1ccccc1Nc1nc2c(s1)CC<mask_1:1>cccc1-2<mask_1:1>
3
23
1
c1c
1
COc1ccccc1Nc1nc2c(s1)CC1cccc1-2
COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
1
<|startoftext|><L>COc1ccccc1Nc1nc2c(s1)CC<mask_1:3>ccccc1-2<mask_1:3>
2
23
3
c1
3
COc1ccccc1Nc1nc2c(s1)CCOc1ccccc1-2
COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
Oc1
<|startoftext|><L>COc1cc<mask_1:3>ccc1Nc1nc2c(s1)CCc1ccccc1-2<mask_1:3>
0
6
3
3
COc1cc(C)ccc1Nc1nc2c(s1)CCc1ccccc1-2
COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
(C)
<|startoftext|><L>COc<mask_1:3>cc1Nc1nc2c(s1)CCc1ccccc1-2<mask_1:3>
4
3
3
1ccc
3
COc1nscc1Nc1nc2c(s1)CCc1ccccc1-2
COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
1ns
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)<mask_1:2>)cc1<mask_1:2>
3
36
2
CC2
2
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)C2)cc1
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1
C2
<|startoftext|><L>COc1ccc(CCS(=O)(=O)<mask_1:1>NCC2CCN(Cc3ccco3)CC2)cc1<mask_1:1>
0
19
1
1
COc1ccc(CCS(=O)(=O)CNCC2CCN(Cc3ccco3)CC2)cc1
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1
C
<|startoftext|><L>COc1ccc(CCS(=O)(=O)N<mask_1:5>(Cc3ccco3)CC2)cc1<mask_1:5>
6
20
5
CC2CCN
5
COc1ccc(CCS(=O)(=O)N2CCCN(Cc3ccco3)CC2)cc1
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1
2CCCN
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccc<mask_1:6>CC2)cc1<mask_1:6>
3
33
6
o3)
6
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccc(C)o3)CC2)cc1
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1
(C)o3)
<|startoftext|><L>COc1ccc(CCS(=O)(=O)N<mask_1:2>CC2CCN(Cc3ccco3)CC2)cc1<mask_1:2>
0
20
2
2
COc1ccc(CCS(=O)(=O)NCCCC2CCN(Cc3ccco3)CC2)cc1
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1
CC
<|startoftext|><L>COc1ccc(CCS(=O)(=O)N<mask_1:3>N(Cc3ccco3)CC2)cc1<mask_1:3>
5
20
3
CC2CC
3
COc1ccc(CCS(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1
2CC
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NCC2C<mask_1:6>(Cc3ccco3)CC2)cc1<mask_1:6>
2
24
6
CN
6
COc1ccc(CCS(=O)(=O)NCC2CCN(C)C(Cc3ccco3)CC2)cc1
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1
CN(C)C
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3c<mask_1:5>co3)CC2)cc1<mask_1:5>
1
31
5
c
5
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3cc(CO)co3)CC2)cc1
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1
c(CO)
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NC<mask_1:6>(Cc3ccco3)CC2)cc1<mask_1:6>
5
21
6
C2CCN
6
COc1ccc(CCS(=O)(=O)NCC2=CCN(Cc3ccco3)CC2)cc1
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1
C2=CCN
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NCC2<mask_1:6>N(Cc3ccco3)CC2)cc1<mask_1:6>
2
23
6
CC
6
COc1ccc(CCS(=O)(=O)NCC2(CO)CCN(Cc3ccco3)CC2)cc1
COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1
(CO)CC
<|startoftext|><L>O=C(NCCC1C<mask_1:5>C(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:5>
4
10
5
CC1)
5
O=C(NCCC1CCCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
CCC1)
<|startoftext|><L>O=C(NCCC<mask_1:2>)C(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:2>
5
8
2
1CCC1
2
O=C(NCCCCO)C(=O)Nc1ccc(C(F)(F)F)nc1
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
CO
<|startoftext|><L>O=C(NCCC1CCC1)C(=O)Nc1ccc(<mask_1:2>C(F)(F)F)nc1<mask_1:2>
0
26
2
2
O=C(NCCC1CCC1)C(=O)Nc1ccc(OCC(F)(F)F)nc1
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
OC
<|startoftext|><L>O=C(NC<mask_1:3>CC1)C(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:3>
4
6
3
CC1C
3
O=C(NC1CCCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
1CC
<|startoftext|><L>O=C(<mask_1:3>CCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:3>
1
4
3
N
3
O=C(NCCCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
NCC
<|startoftext|><L>O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F<mask_1:2>F)nc1<mask_1:2>
1
32
2
)
2
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)CF)nc1
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
)C
<|startoftext|><L>O=C(NCCC1CCC1)C(=O)Nc1c<mask_1:1>C(F)(F)F)nc1<mask_1:1>
3
23
1
cc(
1
O=C(NCCC1CCC1)C(=O)Nc1c(C(F)(F)F)nc1
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
(
<|startoftext|><L>O=C(NCCC1CCC1)C(=O)Nc1ccc(C<mask_1:2>F)F)nc1<mask_1:2>
4
27
2
(F)(
2
O=C(NCCC1CCC1)C(=O)Nc1ccc(CC(F)F)nc1
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
C(
<|startoftext|><L>O=C(NCCC1CCC<mask_1:5>(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:5>
3
12
5
1)C
5
O=C(NCCC1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
CC1)C
<|startoftext|><L><mask_1:2>(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:2>
3
0
2
O=C
2
CN(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1
CN
<|startoftext|><L>CC<mask_1:7>C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:7>
8
2
7
(=O)N1CC
7
CC[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
[C@@H]1
<|startoftext|><L><mask_1:8>)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:8>
5
0
8
CC(=O
8
COCCC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
COCCC(=O
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c<mask_1:5>)OCCO3)CC1<mask_1:5>
3
44
5
(c2
5
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2Cl)OCCO3)CC1
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
(c2Cl
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)O<mask_1:6>)CC1<mask_1:6>
4
49
6
CCO3
6
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCOCC3)CC1
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
CCOCC3
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(<mask_1:8>1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:8>
4
19
8
=O)N
8
CC(=O)N1CCC[C@H]1C(=O)N(C)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
=O)N(C)C
<|startoftext|><L>CC(=O)N1CCC[C@H]<mask_1:3>(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:3>
2
16
3
1C
3
CC(=O)N1CCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
1CC
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2<mask_1:7>)OCCO3)CC1<mask_1:7>
0
47
7
6
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)OCCO3)CC1
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
)NC(=O
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1CC<mask_1:6>N(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:6>
0
26
6
6
CC(=O)N1CCC[C@H]1C(=O)N1CCCC(=O)N(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
CC(=O)
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1<mask_1:6>O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:6>
7
24
6
CCN(S(=
6
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(O)(=O)c2ccc3c(c2)OCCO3)CC1
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
CCN(S(
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(<mask_1:2>c2ccc3c(c2)OCCO3)CC1<mask_1:2>
7
30
2
=O)(=O)
2
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(C)c2ccc3c(c2)OCCO3)CC1
CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
C)
<|startoftext|><L>CC(C)[C@@H](NC(=O)c1ccccc1<mask_1:3>=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:3>
5
26
3
Cl)C(
3
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
)C(
<|startoftext|><L>CC(C)[C@@H]<mask_1:1>C(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:1>
2
11
1
(N
1
CC(C)[C@@H](C(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
(
<|startoftext|><L>CC(C)[C@@H](NC(=O)c1ccccc1<mask_1:5>)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:5>
2
26
5
Cl
5
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
)C(=O
<|startoftext|><L>CC(C)[C@@H](N<mask_1:8>c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:8>
5
13
8
C(=O)
8
CC(C)[C@@H](NC(=O)CSCc1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
C(=O)CSC
<|startoftext|><L>CC(C<mask_1:2>(NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:2>
7
4
2
)[C@@H]
2
CC(C)C(NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
)C
<|startoftext|><L>CC(C)[C@@<mask_1:4>(NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:4>
2
9
4
H]
4
CC(C)[C@@](C)(NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
](C)
<|startoftext|><L>CC(C)[<mask_1:1>H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:1>
3
6
1
C@@
1
CC(C)[CH](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
C
<|startoftext|><L>CC(C)[C@@H](NC(=O)c1ccccc1C<mask_1:9>(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:9>
3
27
9
l)C
9
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
l)C(=O)NC
<|startoftext|><L>CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H<mask_1:1>NC(=O)OC(C)(C)C<mask_1:1>
5
41
1
](C)C
1
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]NC(=O)OC(C)(C)C
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
]
<|startoftext|><L>CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](<mask_1:9>)CNC(=O)OC(C)(C)C<mask_1:9>
1
43
9
C
9
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](Cc1ccccc1)CNC(=O)OC(C)(C)C
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C
Cc1ccccc1
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2<mask_1:2>N(C)C)cc2)n2ncnc2N1<mask_1:2>
4
30
2
ccc(
2
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2c(N(C)C)cc2)n2ncnc2N1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
c(
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](<mask_1:6>2ccc(N(C)C)cc2)n2ncnc2N1<mask_1:6>
1
28
6
c
6
CC1=C(C(=O)Nc2ccccn2)[C@@H](C(=O)c2ccc(N(C)C)cc2)n2ncnc2N1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
C(=O)c
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cc<mask_1:6>C)C)cc2)n2ncnc2N1<mask_1:6>
4
32
6
c(N(
6
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(OCC(C)C)cc2)n2ncnc2N1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
c(OCC(
<|startoftext|><L>CC1=C(C<mask_1:4>ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1<mask_1:4>
7
7
4
(=O)Nc2
4
CC1=C(CSCc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
SCc2
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)<mask_1:5>2N1<mask_1:5>
6
44
5
n2ncnc
6
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
n2ncnc
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(<mask_1:6>C)cc2)n2ncnc2N1<mask_1:6>
4
34
6
N(C)
6
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(OCC(C)C)cc2)n2ncnc2N1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
OCC(C)
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2c<mask_1:7>(C)C)cc2)n2ncnc2N1<mask_1:7>
4
31
7
cc(N
7
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(C(C)(C)C)cc2)n2ncnc2N1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
cc(C(C)
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2nc<mask_1:7>N1<mask_1:7>
3
48
7
nc2
7
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2nc(C)nc2NN1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
(C)nc2N
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2c<mask_1:7>C)C)cc2)n2ncnc2N1<mask_1:7>
5
31
7
cc(N(
7
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(OCC(C)C)cc2)n2ncnc2N1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
cc(OCC(
<|startoftext|><L>CC1=C(C(=O)Nc2ccc<mask_1:6>C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1<mask_1:6>
5
17
6
cn2)[
6
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1
cc2C)[