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<|startoftext|><L>Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3O<mask_1:2>nc2)n1<mask_1:2>
6
34
2
Cc2ccc
2
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OC2nc2)n1
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
C2
<|startoftext|><L>Cc1csc(CN2CCO[C@H]3CC[C@H]<mask_1:4>C@H]3OCc2cccnc2)n1<mask_1:4>
2
26
4
2[
4
Cc1csc(CN2CCO[C@H]3CC[C@H]2CC[C@H]3OCc2cccnc2)n1
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
2CC[
<|startoftext|><L>Cc1csc(CN2CCO[C@H]<mask_1:2>C@H]2[C@H]3OCc2cccnc2)n1<mask_1:2>
4
18
2
3CC[
2
Cc1csc(CN2CCO[C@H]3[C@H]2[C@H]3OCc2cccnc2)n1
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
3[
<|startoftext|><L><mask_1:5>Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1<mask_1:5>
0
0
5
5
CC(C)Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
CC(C)
<|startoftext|><L>Cc1csc(CN2CCO[C@H]3CC[C@H]2<mask_1:3>]3OCc2cccnc2)n1<mask_1:3>
4
27
3
[C@H
3
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@]3OCc2cccnc2)n1
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
[C@
<|startoftext|><L>Cc1csc(CN2CCO[C@H]3C<mask_1:5>2[C@H]3OCc2cccnc2)n1<mask_1:5>
6
20
5
C[C@H]
5
Cc1csc(CN2CCO[C@H]3C[C@H]2[C@H]3OCc2cccnc2)n1
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
[C@H]
<|startoftext|><L>Cc1csc(CN2CCO[C@H]3CC[C@H<mask_1:5>[C@H]3OCc2cccnc2)n1<mask_1:5>
2
25
5
]2
5
Cc1csc(CN2CCO[C@H]3CC[C@H]2COC[C@H]3OCc2cccnc2)n1
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
]2COC
<|startoftext|><L>Cc1csc(CN2CCO<mask_1:4>H]3CC[C@H]2[C@H]3OCc2cccnc2)n1<mask_1:4>
3
13
4
[C@
4
Cc1csc(CN2CCO[C@@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
[C@@
<|startoftext|><L>Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2c<mask_1:4>cnc2)n1<mask_1:4>
1
38
4
c
4
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cc(C)cnc2)n1
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
c(C)
<|startoftext|><L>Cc1csc(CN2CCO[C@H]3<mask_1:6>H]2[C@H]3OCc2cccnc2)n1<mask_1:6>
5
19
6
CC[C@
6
Cc1csc(CN2CCO[C@H]3CC[C@@H]2[C@H]3OCc2cccnc2)n1
Cc1csc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n1
CC[C@@
<|startoftext|><L><mask_1:5>Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21<mask_1:5>
3
0
5
C=C
5
CC(C)Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
CC(C)
<|startoftext|><L>C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc<mask_1:3>21<mask_1:3>
6
39
3
2ccccc
3
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2sc21
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
2sc
<|startoftext|><L>C<mask_1:6>1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21<mask_1:6>
4
1
6
=CCn
6
CC(=O)n1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
C(=O)n
<|startoftext|><L>C=CCn1c(COc2ccc(C<mask_1:7>nnc1SCC(=O)N1CCc2ccccc21<mask_1:7>
6
17
7
l)cc2)
7
C=CCn1c(COc2ccc(Cl)cc2C)nnc1SCC(=O)N1CCc2ccccc21
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
l)cc2C)
<|startoftext|><L>C=CC<mask_1:7>c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21<mask_1:7>
2
4
7
n1
7
C=CC(=O)Nn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
(=O)Nn1
<|startoftext|><L>C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)<mask_1:7>ccccc21<mask_1:7>
6
34
7
N1CCc2
7
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCCc2ccccc21
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
N1CCCc2
<|startoftext|><L>C=CCn1c(COc2ccc(Cl)cc2)nnc1SC<mask_1:2>)N1CCc2ccccc21<mask_1:2>
4
29
2
C(=O
2
C=CCn1c(COc2ccc(Cl)cc2)nnc1SC(C)N1CCc2ccccc21
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
(C
<|startoftext|><L>C=CCn1c(COc2ccc(Cl)cc2)nnc1SC<mask_1:2>)N1CCc2ccccc21<mask_1:2>
4
29
2
C(=O
2
C=CCn1c(COc2ccc(Cl)cc2)nnc1SC(C)N1CCc2ccccc21
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
(C
<|startoftext|><L>C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1C<mask_1:6>c2ccccc21<mask_1:6>
1
37
6
C
6
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCC(=O)c2ccccc21
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
CC(=O)
<|startoftext|><L>C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=<mask_1:4>Cc2ccccc21<mask_1:4>
5
32
4
O)N1C
4
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1Cc2ccccc21
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21
O)N1
<|startoftext|><L>Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nn<mask_1:3>ccn12<mask_1:3>
4
39
3
c2cc
3
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2sccn12
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
c2s
<|startoftext|><L>Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)<mask_1:4>nc2ccccn12<mask_1:4>
3
35
4
c1n
4
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)Cc1nnc2ccccn12
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
Cc1n
<|startoftext|><L>Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nn<mask_1:7>ccn12<mask_1:7>
4
39
7
c2cc
7
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2c(C)cccn12
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
c2c(C)c
<|startoftext|><L>Cc1ccc(S(C)(=O)=O)cc1C(=O)N<mask_1:3>C)c1nnc2ccccn12<mask_1:3>
6
27
3
[C@H](
3
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(C)c1nnc2ccccn12
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
CC(
<|startoftext|><L>Cc1ccc(S(C)(=O)=O<mask_1:7>1C(=O)N[C@H](C)c1nnc2ccccn12<mask_1:7>
3
17
7
)cc
7
Cc1ccc(S(C)(=O)=O)c(Br)c1C(=O)N[C@H](C)c1nnc2ccccn12
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
)c(Br)c
<|startoftext|><L>Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc<mask_1:1>ccn12<mask_1:1>
3
40
1
2cc
1
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccn12
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
2
<|startoftext|><L>Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1<mask_1:7>c2ccccn12<mask_1:7>
2
37
7
nn
7
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1cc(=O)nc2ccccn12
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
cc(=O)n
<|startoftext|><L>Cc1ccc(S(C<mask_1:5>)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12<mask_1:5>
4
10
5
)(=O
4
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
)(=O
<|startoftext|><L>Cc1ccc(S(C)(=O)=O)c<mask_1:3>N[C@H](C)c1nnc2ccccn12<mask_1:3>
7
19
3
c1C(=O)
3
Cc1ccc(S(C)(=O)=O)cc1CN[C@H](C)c1nnc2ccccn12
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
c1C
<|startoftext|><L>Cc1ccc(<mask_1:2>O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12<mask_1:2>
6
7
2
S(C)(=
2
Cc1ccc(C(O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12
C(
<|startoftext|><L>COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2<mask_1:4>cccc2C)c(OC)c1<mask_1:4>
1
50
4
c
4
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2c(C)cccc2C)c(OC)c1
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
c(C)
<|startoftext|><L>COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2<mask_1:2>(=O)c2ccccc2C)c(OC)c1<mask_1:2>
5
39
2
S(=O)
2
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2CC(=O)c2ccccc2C)c(OC)c1
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
CC
<|startoftext|><L>COc1ccc([C@@H]2CC(c3ccc(O<mask_1:4>c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1<mask_1:4>
2
25
4
C)
4
COc1ccc([C@@H]2CC(c3ccc(OCCO)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
CCO)
<|startoftext|><L>COc1ccc([C@@H]2CC(c3ccc(OC)c(<mask_1:5>c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1<mask_1:5>
3
29
5
OC)
5
COc1ccc([C@@H]2CC(c3ccc(OC)c(OCCO)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
OCCO)
<|startoftext|><L>COc1ccc([C@@H]2CC(c3c<mask_1:5>(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1<mask_1:5>
7
21
5
cc(OC)c
5
COc1ccc([C@@H]2CC(c3ccc(O)(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
cc(O)
<|startoftext|><L>COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)<mask_1:5>1<mask_1:5>
6
58
5
c(OC)c
5
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(O)c1
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
c(O)c
<|startoftext|><L><mask_1:1>c1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1<mask_1:1>
2
0
1
CO
1
Cc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
C
<|startoftext|><L>COc1ccc(<mask_1:5>2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1<mask_1:5>
6
8
5
[C@@H]
5
COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
[C@H]
<|startoftext|><L>COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN<mask_1:8>S(=O)(=O)c2ccccc2C)c(OC)c1<mask_1:8>
1
38
8
2
8
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CNS(=O)(=O)c2ccccc2C)c(OC)c1
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
2C(=O)CN
<|startoftext|><L>COc1ccc([C@@H]2CC(c3ccc(OC)<mask_1:2>)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1<mask_1:2>
4
27
2
c(OC
2
COc1ccc([C@@H]2CC(c3ccc(OC)(O)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1
(O
<|startoftext|><L><mask_1:1>CCCSc1nnnn1-c1cccc(C)c1<mask_1:1>
0
0
1
1
CCCCSc1nnnn1-c1cccc(C)c1
CCCSc1nnnn1-c1cccc(C)c1
C
<|startoftext|><L>CCCSc1nnnn1-c1cccc(C<mask_1:3>1<mask_1:3>
2
20
3
)c
3
CCCSc1nnnn1-c1cccc(Cl)c1
CCCSc1nnnn1-c1cccc(C)c1
l)c
<|startoftext|><L>CCCSc1nnnn1-c1cccc<mask_1:3>C)c1<mask_1:3>
1
18
3
(
3
CCCSc1nnnn1-c1cccc(OCC)c1
CCCSc1nnnn1-c1cccc(C)c1
(OC
<|startoftext|><L>C<mask_1:1>CCSc1nnnn1-c1cccc(C)c1<mask_1:1>
0
1
1
1
C=CCSc1nnnn1-c1cccc(C)c1
CCCSc1nnnn1-c1cccc(C)c1
=
<|startoftext|><L>C<mask_1:2>CSc1nnnn1-c1cccc(C)c1<mask_1:2>
1
1
2
C
2
C#CCSc1nnnn1-c1cccc(C)c1
CCCSc1nnnn1-c1cccc(C)c1
#C
<|startoftext|><L>CC<mask_1:3>CSc1nnnn1-c1cccc(C)c1<mask_1:3>
0
2
3
3
CCCCCCSc1nnnn1-c1cccc(C)c1
CCCSc1nnnn1-c1cccc(C)c1
CCC
<|startoftext|><L>CCC<mask_1:2>nnnn1-c1cccc(C)c1<mask_1:2>
3
3
2
Sc1
2
CCCc1nnnn1-c1cccc(C)c1
CCCSc1nnnn1-c1cccc(C)c1
c1
<|startoftext|><L>CCCSc1nnnn1-c1cc<mask_1:3>cc(C)c1<mask_1:3>
0
16
3
3
CCCSc1nnnn1-c1cc(C)cc(C)c1
CCCSc1nnnn1-c1cccc(C)c1
(C)
<|startoftext|><L>C<mask_1:2>CCSc1nnnn1-c1cccc(C)c1<mask_1:2>
0
1
2
2
CCCCCSc1nnnn1-c1cccc(C)c1
CCCSc1nnnn1-c1cccc(C)c1
CC
<|startoftext|><L>CCCS<mask_1:3>nnnn1-c1cccc(C)c1<mask_1:3>
2
4
3
c1
3
CCCSCc1nnnn1-c1cccc(C)c1
CCCSc1nnnn1-c1cccc(C)c1
Cc1
<|startoftext|><L>Cn1cc(B<mask_1:4>cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1<mask_1:4>
2
7
4
r)
4
Cn1cc(Br)cccc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
r)cc
<|startoftext|><L>Cn1cc(Br)cc1C(=O)NC[C<mask_1:2>CC(=O)N(C2CC2)C1<mask_1:2>
4
21
2
@H]1
2
Cn1cc(Br)cc1C(=O)NC[C]1CC(=O)N(C2CC2)C1
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
]1
<|startoftext|><L>Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(<mask_1:6>2)C1<mask_1:6>
4
33
6
C2CC
6
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(c2ccsc2)C1
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
c2ccsc
<|startoftext|><L>Cn1cc(Br)cc1<mask_1:2>NC[C@H]1CC(=O)N(C2CC2)C1<mask_1:2>
5
12
2
C(=O)
2
Cn1cc(Br)cc1C=NC[C@H]1CC(=O)N(C2CC2)C1
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
C=
<|startoftext|><L>Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(<mask_1:4>CC2)C1<mask_1:4>
2
33
4
C2
4
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
C2CC
<|startoftext|><L>Cn1cc(Br)cc1C(=O)NC[C@H]1C<mask_1:1>=O)N(C2CC2)C1<mask_1:1>
2
26
1
C(
1
Cn1cc(Br)cc1C(=O)NC[C@H]1C(=O)N(C2CC2)C1
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
(
<|startoftext|><L>Cn1c<mask_1:5>Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1<mask_1:5>
2
4
5
c(
5
Cn1c(O)c(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
(O)c(
<|startoftext|><L>Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C<mask_1:3>2CC2)C1<mask_1:3>
0
34
3
3
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(CCOC2CC2)C1
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
COC
<|startoftext|><L>Cn1cc(Br)cc1C(=O)NC<mask_1:4>@H]1CC(=O)N(C2CC2)C1<mask_1:4>
2
19
4
[C
4
Cn1cc(Br)cc1C(=O)NCC[C@@H]1CC(=O)N(C2CC2)C1
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
C[C@
<|startoftext|><L>Cn1cc(Br)cc1C(=O)<mask_1:3>[C@H]1CC(=O)N(C2CC2)C1<mask_1:3>
2
17
3
NC
3
Cn1cc(Br)cc1C(=O)NCC[C@H]1CC(=O)N(C2CC2)C1
Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1
NCC
<|startoftext|><L>O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O<mask_1:6>2CCCC2)C1<mask_1:6>
2
33
6
)N
6
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)NCCCN2CCCC2)C1
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
)NCCCN
<|startoftext|><L>O=C(NCc1ccc(O)cc1)[C<mask_1:3>CCN(C(=O)N2CCCC2)C1<mask_1:3>
5
20
3
@H]1C
3
O=C(NCc1ccc(O)cc1)[CH]1CCN(C(=O)N2CCCC2)C1
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
H]1
<|startoftext|><L>O=C(NCc1ccc(O)cc1)[C@H]1CCCN(<mask_1:4>=O)N2CCCC2)C1<mask_1:4>
2
29
4
C(
4
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(CCC(=O)N2CCCC2)C1
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
CCC(
<|startoftext|><L>O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(<mask_1:5>=O)N2CCCC2)C1<mask_1:5>
0
31
5
5
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)C(=O)N2CCCC2)C1
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
=O)C(
<|startoftext|><L>O=C(NCc1ccc(O)cc1)[C@<mask_1:6>CN(C(=O)N2CCCC2)C1<mask_1:6>
5
21
6
H]1CC
6
O=C(NCc1ccc(O)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
@H]1CC
<|startoftext|><L>O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CC<mask_1:4>)C1<mask_1:4>
3
38
4
CC2
4
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCCC2)C1
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
CCC2
<|startoftext|><L>O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=<mask_1:5>N2CCCC2)C1<mask_1:5>
2
32
5
O)
5
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)CCCN2CCCC2)C1
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
O)CCC
<|startoftext|><L>O=C(NCc1ccc(O)cc<mask_1:2>)[C@H]1CCCN(C(=O)N2CCCC2)C1<mask_1:2>
1
16
2
1
2
O=C(NCc1ccc(O)cc1O)[C@H]1CCCN(C(=O)N2CCCC2)C1
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
1O
<|startoftext|><L>O=C(NCc1ccc(O)cc1)[C@H]1CC<mask_1:2>N(C(=O)N2CCCC2)C1<mask_1:2>
1
26
2
C
2
O=C(NCc1ccc(O)cc1)[C@H]1CCCCN(C(=O)N2CCCC2)C1
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
CC
<|startoftext|><L>O=C(NC<mask_1:1>(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1<mask_1:1>
5
6
1
c1ccc
1
O=C(NC1(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
1
<|startoftext|><L>Cc1ncc<mask_1:3>C(=O)c1cc(-c2ccc(F)cc2)[nH]n1<mask_1:3>
4
6
3
cc1N
3
Cc1nccn1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
n1N
<|startoftext|><L>Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2<mask_1:2>[nH]n1<mask_1:2>
1
32
2
)
2
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2C)[nH]n1
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
C)
<|startoftext|><L>Cc1ncccc1NC(=O)c1cc(-c2<mask_1:1>(F)cc2)[nH]n1<mask_1:1>
3
23
1
ccc
1
Cc1ncccc1NC(=O)c1cc(-c2c(F)cc2)[nH]n1
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
c
<|startoftext|><L>Cc1ncccc1NC(=O)c1cc(-c2ccc(<mask_1:2>2)[nH]n1<mask_1:2>
4
27
2
F)cc
2
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)2)[nH]n1
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
F)
<|startoftext|><L>Cc1ncccc1NC(<mask_1:5>c1cc(-c2ccc(F)cc2)[nH]n1<mask_1:5>
3
12
5
=O)
5
Cc1ncccc1NC(=O)CCc1cc(-c2ccc(F)cc2)[nH]n1
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
=O)CC
<|startoftext|><L><mask_1:2>ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1<mask_1:2>
3
0
2
Cc1
2
c1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
c1
<|startoftext|><L>Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2<mask_1:4>n1<mask_1:4>
5
32
4
)[nH]
4
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2Cl)on1
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
Cl)o
<|startoftext|><L>Cc1ncccc1NC(=O)c1cc(-c2ccc(<mask_1:5>2)[nH]n1<mask_1:5>
4
27
5
F)cc
5
Cc1ncccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
Br)cc
<|startoftext|><L>Cc1ncccc1NC(=O)c1cc(<mask_1:5>2ccc(F)cc2)[nH]n1<mask_1:5>
2
20
5
-c
5
Cc1ncccc1NC(=O)c1cc(CCCOc2ccc(F)cc2)[nH]n1
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
CCCOc
<|startoftext|><L>Cc1ncccc1NC(=O)c1c<mask_1:5>2ccc(F)cc2)[nH]n1<mask_1:5>
4
18
5
c(-c
5
Cc1ncccc1NC(=O)c1cc(COc2ccc(F)cc2)[nH]n1
Cc1ncccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1
c(COc
<|startoftext|><L>CCC[C@H](NC(=O)[C@H<mask_1:8>OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1<mask_1:8>
4
19
8
](C)
8
CCC[C@H](NC(=O)[C@H](CCSC)COC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
](CCSC)C
<|startoftext|><L>CCC[C@H](NC(=O)[<mask_1:3>H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1<mask_1:3>
2
16
3
C@
3
CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
C@@
<|startoftext|><L>CCC[C@H](NC(=O)[C@H](C)OC(<mask_1:6>=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1<mask_1:6>
0
26
6
6
CCC[C@H](NC(=O)[C@H](C)OC(=O)CC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
=O)CC(
<|startoftext|><L>CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c<mask_1:5>)c1ccccc1<mask_1:5>
6
42
5
(Br)c1
5
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(O)c1)c1ccccc1
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
(O)c1
<|startoftext|><L>CCC[C@H](NC(=O)[C@H](C)<mask_1:5>1c[nH]c(=O)c(Br)c1)c1ccccc1<mask_1:5>
7
23
5
OC(=O)c
5
CCC[C@H](NC(=O)[C@H](C)N(C)c1c[nH]c(=O)c(Br)c1)c1ccccc1
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
N(C)c
<|startoftext|><L>CCC[C@H](NC<mask_1:1>O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1<mask_1:1>
2
11
1
(=
1
CCC[C@H](NC(O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
(
<|startoftext|><L>CCC[C@H](NC(=O)[<mask_1:7>(C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1<mask_1:7>
4
16
7
C@H]
7
CCC[C@H](NC(=O)[C@](C)C(C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
C@](C)C
<|startoftext|><L>CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c<mask_1:5>c1<mask_1:5>
8
47
5
1)c1cccc
5
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)C1Cc1
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
1)C1C
<|startoftext|><L>CCC[C@H](NC(=<mask_1:8>H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1<mask_1:8>
5
13
8
O)[C@
8
CCC[C@H](NC(=O)CC[C@@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
O)CC[C@@
<|startoftext|><L>CCC[C@H](<mask_1:4>(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1<mask_1:4>
2
9
4
NC
4
CCC[C@H](CCNC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1
CCNC
<|startoftext|><L>C<mask_1:6>1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1<mask_1:6>
1
1
6
c
6
CC(C)Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
C(C)Cc
<|startoftext|><L>Cc1cc(CN2<mask_1:3>C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1<mask_1:3>
0
9
3
3
Cc1cc(CN2CCOC[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
CCO
<|startoftext|><L>Cc1cc(CN2C[<mask_1:6>CN(c4ncccc4C#N)C[C@@H]3C2)no1<mask_1:6>
5
11
6
C@H]3
6
Cc1cc(CN2C[C@@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
C@@H]3
<|startoftext|><L>Cc1<mask_1:5>CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1<mask_1:5>
3
3
5
cc(
5
Cc1cc(CCCN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
cc(CC
<|startoftext|><L>Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C<mask_1:2>3C2)no1<mask_1:2>
4
34
2
@@H]
2
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@]3C2)no1
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
@]
<|startoftext|><L>Cc1cc(C<mask_1:4>H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1<mask_1:4>
6
7
4
N2C[C@
4
Cc1cc(C2[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
2[C@
<|startoftext|><L>Cc1cc(CN2C[C@H]3CN<mask_1:4>ccc4C#N)C[C@@H]3C2)no1<mask_1:4>
5
18
4
(c4nc
4
Cc1cc(CN2C[C@H]3CN(c4sccc4C#N)C[C@@H]3C2)no1
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
(c4s
<|startoftext|><L>Cc1cc(CN2C[C@H]3CN(c4nccc<mask_1:4>)C[C@@H]3C2)no1<mask_1:4>
5
25
4
c4C#N
4
Cc1cc(CN2C[C@H]3CN(c4ncccc4Cl)C[C@@H]3C2)no1
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
c4Cl
<|startoftext|><L>Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N<mask_1:5>)C[C@@H]3C2)no1<mask_1:5>
0
30
5
5
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C(=O)C[C@@H]3C2)no1
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
)C(=O
<|startoftext|><L>Cc1cc(CN2C[C<mask_1:6>CN(c4ncccc4C#N)C[C@@H]3C2)no1<mask_1:6>
4
12
6
@H]3
6
Cc1cc(CN2C[C@@H]3CCN(c4ncccc4C#N)C[C@@H]3C2)no1
Cc1cc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)no1
@@H]3C