prompt
stringlengths
49
262
first_mask_count
int64
0
16
first_start_index
int64
0
216
first_mask_gen_count
int64
1
16
first_mask_tokens
stringlengths
0
16
first_mask_gen_count_real
int64
0
18
generated_smiles
stringlengths
12
233
original_smiles
stringlengths
12
224
generated_tokens
stringlengths
0
18
<|startoftext|><L>Cc1ccc([C@H]2/C(=C(<mask_1:9>c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1<mask_1:9>
3
19
9
\O)
9
Cc1ccc([C@H]2/C(=C(\O)C(=O)Nc3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
\O)C(=O)N
<|startoftext|><L>Cc1ccc([C@H]2/C(=C(\O<mask_1:5>(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1<mask_1:5>
6
21
5
)c3ccc
5
Cc1ccc([C@H]2/C(=C(\O)c3sc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
)c3sc
<|startoftext|><L>Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CC<mask_1:1>COCC2)o1<mask_1:1>
4
49
1
CN2C
1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CC2COCC2)o1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
2
<|startoftext|><L>Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCC<mask_1:4>2CCOCC2)o1<mask_1:4>
1
50
4
N
4
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCCN2CCOCC2)o1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
CCCN
<|startoftext|><L>Cc1ccc([C@H]2/C(=C<mask_1:1>cc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1<mask_1:1>
7
18
1
(\O)c3c
1
Cc1ccc([C@H]2/C(=C3cc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
3
<|startoftext|><L>Cc1ccc([C@H]2/C(<mask_1:7>C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1<mask_1:7>
1
16
7
=
7
Cc1ccc([C@H]2/C(=C(\O)\C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
=C(\O)\
<|startoftext|><L>Cc1cc<mask_1:5>c([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1<mask_1:5>
0
5
5
5
Cc1cc(=O)cc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
(=O)c
<|startoftext|><L>Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc<mask_1:8>C(=O)N2CCCN2CCOCC2)o1<mask_1:8>
7
33
8
3)C(=O)
8
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)NC(=O)N2CCCN2CCOCC2)o1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
3)C(=O)N
<|startoftext|><L>Cc1ccc([C@H]2/C(=C(\O)c3c<mask_1:8>cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1<mask_1:8>
6
25
8
cc(Cl)
8
Cc1ccc([C@H]2/C(=C(\O)c3ccc(OCCO)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
cc(OCCO)
<|startoftext|><L>Cc1ccc<mask_1:7>C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1<mask_1:7>
8
6
7
([C@H]2/
7
Cc1ccc([C@H]2C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)o1
([C@H]2
<|startoftext|><L>CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(<mask_1:2>21<mask_1:2>
4
33
2
OC)c
2
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(O)21
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
O)
<|startoftext|><L>CCn1/c(=N/C(=O)<mask_1:1>C(C)C)sc2c(OC)ccc(OC)c21<mask_1:1>
0
15
1
1
CCn1/c(=N/C(=O)CC(C)C)sc2c(OC)ccc(OC)c21
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
C
<|startoftext|><L>CC<mask_1:2>n1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21<mask_1:2>
0
2
2
2
CCCCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
CC
<|startoftext|><L>CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(<mask_1:1>)c21<mask_1:1>
2
33
1
OC
1
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(O)c21
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
O
<|startoftext|><L>CCn1/c(=N/C(=O)C(C)C)sc2c(<mask_1:3>OC)ccc(OC)c21<mask_1:3>
0
26
3
3
CCn1/c(=N/C(=O)C(C)C)sc2c(OCCOC)ccc(OC)c21
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
OCC
<|startoftext|><L>CCn1/c(=N/C(=O)C(C)C)sc2<mask_1:1>ccc(OC)c21<mask_1:1>
5
24
1
c(OC)
1
CCn1/c(=N/C(=O)C(C)C)sc2cccc(OC)c21
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
c
<|startoftext|><L><mask_1:3>CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21<mask_1:3>
0
0
3
3
C=CCCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
C=C
<|startoftext|><L>C<mask_1:3>1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21<mask_1:3>
2
1
3
Cn
3
CCCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
CCn
<|startoftext|><L>CCn1/c(=N/C(=O)C(C)C)sc2c(OC)<mask_1:5>OC)c21<mask_1:5>
4
29
5
ccc(
5
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(COC)c21
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
ccc(C
<|startoftext|><L>CCn1/c(=N/C(=O)C(C)C)sc2c(OC)<mask_1:2>C)c21<mask_1:2>
5
29
2
ccc(O
2
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)c(C)c21
CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21
c(
<|startoftext|><L>C[C@@H](C1CC1)N(CC(F)(F)F)<mask_1:8>CSc1nc2ccccc2c(=O)n1C1CCCC1<mask_1:8>
5
26
8
C(=O)
8
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)NCCCSc1nc2ccccc2c(=O)n1C1CCCC1
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
C(=O)NCC
<|startoftext|><L>C[C@@H](C1CC1)N(CC<mask_1:6>F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1<mask_1:6>
1
18
6
(
6
C[C@@H](C1CC1)N(CC(=O)C(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
(=O)C(
<|startoftext|><L>C[C@@H](C1CC1)N(CC(F)(F)F)C<mask_1:1>1nc2ccccc2c(=O)n1C1CCCC1<mask_1:1>
7
27
1
(=O)CSc
1
C[C@@H](C1CC1)N(CC(F)(F)F)Cc1nc2ccccc2c(=O)n1C1CCCC1
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
c
<|startoftext|><L>C[C@@H](C1CC1)N(CC(F)(F)F)C<mask_1:4>nc2ccccc2c(=O)n1C1CCCC1<mask_1:4>
8
27
4
(=O)CSc1
4
C[C@@H](C1CC1)N(CC(F)(F)F)CCSc1nc2ccccc2c(=O)n1C1CCCC1
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
CSc1
<|startoftext|><L>C[C@@H](C<mask_1:8>CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1<mask_1:8>
7
9
8
1CC1)N(
8
C[C@@H](CNC(=O)NCCC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
NC(=O)NC
<|startoftext|><L>C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)<mask_1:7>C1CCCC1<mask_1:7>
2
49
7
n1
7
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C(=O)C1CCCC1
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
n1C(=O)
<|startoftext|><L>C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C<mask_1:3>CCC1<mask_1:3>
2
52
3
1C
3
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
1CC
<|startoftext|><L>C[C@@H](C1CC1)N(CC(F)(F)F)C<mask_1:7>O)CSc1nc2ccccc2c(=O)n1C1CCCC1<mask_1:7>
2
27
7
(=
7
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
(=O)C(=
<|startoftext|><L>C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CC<mask_1:6>1<mask_1:6>
2
55
6
CC
6
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCN(C)CC1
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
N(C)CC
<|startoftext|><L>C[C@@H](C1CC1)N(CC(F)(F)F)C(<mask_1:5>1nc2ccccc2c(=O)n1C1CCCC1<mask_1:5>
6
28
5
=O)CSc
5
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)Cc1nc2ccccc2c(=O)n1C1CCCC1
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
=O)Cc
<|startoftext|><L>N[C@H]1CN<mask_1:4>CCCn2cnnn2)C[C@@H]1C1CC1<mask_1:4>
1
9
4
(
4
N[C@H]1CN(CCOCCCn2cnnn2)C[C@@H]1C1CC1
N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
(CCO
<|startoftext|><L>N[C@H]1CN<mask_1:1>n2cnnn2)C[C@@H]1C1CC1<mask_1:1>
4
9
1
(CCC
1
N[C@H]1CN(n2cnnn2)C[C@@H]1C1CC1
N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
(
<|startoftext|><L>N[C@H]1CN(CCC<mask_1:5>2cnnn2)C[C@@H]1C1CC1<mask_1:5>
1
13
5
n
5
N[C@H]1CN(CCCCOCCn2cnnn2)C[C@@H]1C1CC1
N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
COCCn
<|startoftext|><L>N[C@H]1CN(CCCn2cnnn2)<mask_1:2>[C@@H]1C1CC1<mask_1:2>
1
21
2
C
2
N[C@H]1CN(CCCn2cnnn2)CC[C@@H]1C1CC1
N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
CC
<|startoftext|><L>N[C@H]1CN<mask_1:3>CCCn2cnnn2)C[C@@H]1C1CC1<mask_1:3>
1
9
3
(
3
N[C@H]1CN(CCCCCn2cnnn2)C[C@@H]1C1CC1
N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
(CC
<|startoftext|><L>N[C@H]1CN(CCC<mask_1:4>nnn2)C[C@@H]1C1CC1<mask_1:4>
3
13
4
n2c
4
N[C@H]1CN(CCCCn2cnnn2)C[C@@H]1C1CC1
N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
Cn2c
<|startoftext|><L>N[C@H]1<mask_1:4>N(CCCn2cnnn2)C[C@@H]1C1CC1<mask_1:4>
1
7
4
C
4
N[C@H]1CCCCN(CCCn2cnnn2)C[C@@H]1C1CC1
N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
CCCC
<|startoftext|><L>N[C@H]1CN<mask_1:3>CCCn2cnnn2)C[C@@H]1C1CC1<mask_1:3>
1
9
3
(
3
N[C@H]1CN(CCCCCn2cnnn2)C[C@@H]1C1CC1
N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
(CC
<|startoftext|><L>N[C@H]1CN<mask_1:4>2cnnn2)C[C@@H]1C1CC1<mask_1:4>
5
9
4
(CCCn
4
N[C@H]1CN(CCn2cnnn2)C[C@@H]1C1CC1
N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
(CCn
<|startoftext|><L>N[C@H]1CN(CC<mask_1:3>nnn2)C[C@@H]1C1CC1<mask_1:3>
4
12
3
Cn2c
3
N[C@H]1CN(CCn2cnnn2)C[C@@H]1C1CC1
N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
n2c
<|startoftext|><L>Cc1cc(C(=O)N2CC[<mask_1:6>(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C<mask_1:6>
5
16
6
C@@]3
6
Cc1cc(C(=O)N2CC[C@H]3C(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
C@H]3C
<|startoftext|><L>Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2<mask_1:2>-c2ccco2)CO3)nn1C<mask_1:2>
0
34
2
2
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2CO-c2ccco2)CO3)nn1C
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
CO
<|startoftext|><L>Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nn<mask_1:7>cco2)CO3)nn1C<mask_1:7>
6
32
7
c2-c2c
7
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2CCc2ccco2)CO3)nn1C
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
c2CCc2c
<|startoftext|><L>Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccc<mask_1:4>CO3)nn1C<mask_1:4>
3
40
4
o2)
4
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccccn2)CO3)nn1C
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
cn2)
<|startoftext|><L>Cc1cc(C(=O<mask_1:7>2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C<mask_1:7>
2
10
7
)N
7
Cc1cc(C(=O)N[C@H]2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
)N[C@H]
<|startoftext|><L>Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2cc<mask_1:5>CO3)nn1C<mask_1:5>
4
39
5
co2)
5
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2cccnc2)CO3)nn1C
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
cnc2)
<|startoftext|><L>Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-<mask_1:7>co2)CO3)nn1C<mask_1:7>
4
35
7
c2cc
7
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2cc(C)co2)CO3)nn1C
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
c2cc(C)
<|startoftext|><L>Cc1cc(<mask_1:4>O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C<mask_1:4>
3
6
4
C(=
4
Cc1cc(NC(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
NC(=
<|startoftext|><L>Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c<mask_1:3>nnc2-c2ccco2)CO3)nn1C<mask_1:3>
1
29
3
(
3
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnnnc2-c2ccco2)CO3)nn1C
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
(nn
<|startoftext|><L>Cc1cc(C(=O<mask_1:4>N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C<mask_1:4>
1
10
4
)
4
Cc1cc(C(=O)NCCN2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)nn1C
)NCC
<|startoftext|><L><mask_1:5>cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1<mask_1:5>
3
0
5
Cc1
5
CCCc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
CCCc1
<|startoftext|><L>Cc1cc(C[<mask_1:3>](=O)[C@@H](C)C(=O)NC2CCCC2)no1<mask_1:3>
2
8
3
S@
3
Cc1cc(C[S@@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
S@@
<|startoftext|><L>Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC<mask_1:2>)no1<mask_1:2>
6
31
2
2CCCC2
2
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NCCF)no1
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
CF
<|startoftext|><L>Cc1cc(C[S@](=<mask_1:6>O)[C@@H](C)C(=O)NC2CCCC2)no1<mask_1:6>
0
13
6
6
Cc1cc(C[S@](=O)CC(=O)[C@@H](C)C(=O)NC2CCCC2)no1
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
O)CC(=
<|startoftext|><L>Cc1cc(C[S@](=O)[C@<mask_1:5>C(=O)NC2CCCC2)no1<mask_1:5>
6
18
5
@H](C)
5
Cc1cc(C[S@](=O)[C@H](C)C(=O)NC2CCCC2)no1
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
H](C)
<|startoftext|><L>Cc1cc(C[S@](=O)[C@<mask_1:3>)C(=O)NC2CCCC2)no1<mask_1:3>
5
18
3
@H](C
3
Cc1cc(C[S@](=O)[C@](C)C(=O)NC2CCCC2)no1
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
](C
<|startoftext|><L>Cc1cc(C[S@](=O)[C@@H](C)C(=<mask_1:4>CCC2)no1<mask_1:4>
6
27
4
O)NC2C
4
Cc1cc(C[S@](=O)[C@@H](C)C(=O)N2CCC2)no1
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
O)N2
<|startoftext|><L>Cc1cc(C[S@](=O)[C<mask_1:6>C)C(=O)NC2CCCC2)no1<mask_1:6>
5
17
6
@@H](
6
Cc1cc(C[S@](=O)[C@@H](CC)C(=O)NC2CCCC2)no1
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
@@H](C
<|startoftext|><L>Cc1cc(C[S@](=O)[C@@H](<mask_1:6>=O)NC2CCCC2)no1<mask_1:6>
4
22
6
C)C(
6
Cc1cc(C[S@](=O)[C@@H](C)CCC(=O)NC2CCCC2)no1
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
C)CCC(
<|startoftext|><L>Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2<mask_1:4>no1<mask_1:4>
6
32
4
CCCC2)
4
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CC2)no1
Cc1cc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)no1
CC2)
<|startoftext|><L>C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C<mask_1:5>12<mask_1:5>
10
56
5
(F)(F)F)cn
4
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(Cl)cn12
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
l)cn
<|startoftext|><L>C[C@H]1[C@<mask_1:8>C[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12<mask_1:8>
7
10
8
H](C)CC
8
C[C@H]1[C@H](C)CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
H](C)CCC
<|startoftext|><L><mask_1:4>@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12<mask_1:4>
3
0
4
C[C
4
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
C[C@
<|startoftext|><L>C[C@H]1[C@H](C)<mask_1:3>1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12<mask_1:3>
9
15
3
CCC[C@@H]
3
C[C@H]1[C@H](C)CCC1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
CCC
<|startoftext|><L>C[C@H]1[C@H](C)CCC[C@@H]<mask_1:7>O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12<mask_1:7>
5
24
7
1NC(=
8
C[C@H]1[C@H](C)CCC[C@@H]1N(C)C(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
1N(C)C(=
<|startoftext|><L>C[C@H]1[C@H](C)CCC<mask_1:5>C(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12<mask_1:5>
8
18
5
[C@@H]1N
5
C[C@H]1[C@H](C)CCC[CH]1C(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
[CH]1
<|startoftext|><L>C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc<mask_1:8>Cl)cc(C(F)(F)F)cn12<mask_1:8>
7
42
8
1nnc2c(
8
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(CCl)cc(C(F)(F)F)cn12
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
1nnc2c(C
<|startoftext|><L>C[C@H]1[C@H](C)CCC[C<mask_1:9>=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12<mask_1:9>
8
20
9
@@H]1NC(
9
C[C@H]1[C@H](C)CCC[C@@H]1CNC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
@@H]1CNC(
<|startoftext|><L>C[C@<mask_1:8>H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12<mask_1:8>
0
4
8
8
C[C@H](O)[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
H](O)[C@
<|startoftext|><L>C[C@H]1[C<mask_1:2>CC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12<mask_1:2>
7
9
2
@H](C)C
2
C[C@H]1[CH]CC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12
H]
<|startoftext|><L>CCn1cc(CNc2cn(CC<mask_1:4>)C)nc2C)cn1<mask_1:4>
2
16
4
(C
4
CCn1cc(CNc2cn(CCNC(C)C)nc2C)cn1
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
NC(C
<|startoftext|><L>CCn1cc(C<mask_1:4>c2cn(CC(C)C)nc2C)cn1<mask_1:4>
1
8
4
N
4
CCn1cc(C(=O)c2cn(CC(C)C)nc2C)cn1
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
(=O)
<|startoftext|><L>CCn1cc(CNc2c<mask_1:4>C(C)C)nc2C)cn1<mask_1:4>
3
12
4
n(C
4
CCn1cc(CNc2cnc(NC(C)C)nc2C)cn1
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
nc(N
<|startoftext|><L>CCn1cc(CNc2cn(CC(C)C)nc<mask_1:4>cn1<mask_1:4>
3
23
4
2C)
4
CCn1cc(CNc2cn(CC(C)C)nc2OC)cn1
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
2OC)
<|startoftext|><L>CCn1cc(C<mask_1:4>cn(CC(C)C)nc2C)cn1<mask_1:4>
3
8
4
Nc2
4
CCn1cc(CNCc2cn(CC(C)C)nc2C)cn1
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
NCc2
<|startoftext|><L>CCn1cc(CNc2cn(CC(C)C)nc2C<mask_1:1>)cn1<mask_1:1>
0
25
1
1
CCn1cc(CNc2cn(CC(C)C)nc2Cl)cn1
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
l
<|startoftext|><L>CCn1cc(C<mask_1:2>c2cn(CC(C)C)nc2C)cn1<mask_1:2>
1
8
2
N
2
CCn1cc(CNCc2cn(CC(C)C)nc2C)cn1
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
NC
<|startoftext|><L><mask_1:3>n1cc(CNc2cn(CC(C)C)nc2C)cn1<mask_1:3>
2
0
3
CC
3
CCCn1cc(CNc2cn(CC(C)C)nc2C)cn1
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
CCC
<|startoftext|><L>CCn1cc(CN<mask_1:1>n(CC(C)C)nc2C)cn1<mask_1:1>
3
9
1
c2c
1
CCn1cc(CN2n(CC(C)C)nc2C)cn1
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
2
<|startoftext|><L>CCn1cc(CNc2cn(CC(C)C)nc2<mask_1:3>1<mask_1:3>
4
24
3
C)cn
4
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
CCn1cc(CNc2cn(CC(C)C)nc2C)cn1
C)cn
<|startoftext|><L>CC(C)C[C<mask_1:2>C(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O<mask_1:2>
6
8
2
@@H]1N
2
CC(C)C[C]1C(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
]1
<|startoftext|><L>CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2<mask_1:7>(F)cc2)C1=O<mask_1:7>
3
33
7
ccc
7
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2cc(Cl)c(F)cc2)C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
cc(Cl)c
<|startoftext|><L>CC(C)<mask_1:6>C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O<mask_1:6>
0
5
6
6
CC(C)(C)SCCC[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
(C)SCC
<|startoftext|><L>CC(C)C[C@@H]1NC(=O)<mask_1:7>@H](O)c2ccc(F)cc2)C1=O<mask_1:7>
6
19
7
N(C[C@
7
CC(C)C[C@@H]1NC(=O)N(CC[C@@H](O)c2ccc(F)cc2)C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
N(CC[C@
<|startoftext|><L>CC(C)C[C@@H]1NC(=O)N(C<mask_1:1>[C@@H](O)c2ccc(F)cc2)C1=O<mask_1:1>
0
22
1
1
CC(C)C[C@@H]1NC(=O)N(CC[C@@H](O)c2ccc(F)cc2)C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
C
<|startoftext|><L>CC(C)C[C@@H]1NC(=O)N(C[<mask_1:5>)c2ccc(F)cc2)C1=O<mask_1:5>
7
23
5
C@@H](O
5
CC(C)C[C@@H]1NC(=O)N(C[C@](C)c2ccc(F)cc2)C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
C@](C
<|startoftext|><L><mask_1:6>C(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O<mask_1:6>
1
0
6
C
6
CC(C)=C(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
CC(C)=
<|startoftext|><L>CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2cc<mask_1:6>)cc2)C1=O<mask_1:6>
3
35
6
c(F
6
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(C(F))cc2)C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
c(C(F)
<|startoftext|><L>CC(C)C[C@@H]1NC(=O)N(C[C@@H]<mask_1:1>cc(F)cc2)C1=O<mask_1:1>
6
28
1
(O)c2c
1
CC(C)C[C@@H]1NC(=O)N(C[C@@H]2cc(F)cc2)C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
2
<|startoftext|><L>CC(C)C[C@@H]1NC(=O)N(C[C@@H](<mask_1:3>)c2ccc(F)cc2)C1=O<mask_1:3>
1
29
3
O
3
CC(C)C[C@@H]1NC(=O)N(C[C@@H](C#N)c2ccc(F)cc2)C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
C#N
<|startoftext|><L>CSc1nccnc1CN(C(=O)[C@H](C)<mask_1:2>N)C1CC1<mask_1:2>
0
26
2
2
CSc1nccnc1CN(C(=O)[C@H](C)C#N)C1CC1
CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
C#
<|startoftext|><L>CSc1nccnc1CN(C(<mask_1:3>)[C@H](C)N)C1CC1<mask_1:3>
2
15
3
=O
3
CSc1nccnc1CN(C(C#N)[C@H](C)N)C1CC1
CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
C#N
<|startoftext|><L>CSc1nccnc1CN<mask_1:4>=O)[C@H](C)N)C1CC1<mask_1:4>
3
12
4
(C(
4
CSc1nccnc1CN(CC(=O)[C@H](C)N)C1CC1
CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
(CC(
<|startoftext|><L><mask_1:2>1nccnc1CN(C(=O)[C@H](C)N)C1CC1<mask_1:2>
3
0
2
CSc
2
Cc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
Cc
<|startoftext|><L>CSc1nccnc1<mask_1:4>N(C(=O)[C@H](C)N)C1CC1<mask_1:4>
1
10
4
C
4
CSc1nccnc1N(C)N(C(=O)[C@H](C)N)C1CC1
CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
N(C)
<|startoftext|><L>CSc1nccnc1CN(C(=O)[<mask_1:2>](C)N)C1CC1<mask_1:2>
3
19
2
C@H
2
CSc1nccnc1CN(C(=O)[C@](C)N)C1CC1
CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
C@
<|startoftext|><L>CSc1<mask_1:4>cnc1CN(C(=O)[C@H](C)N)C1CC1<mask_1:4>
2
4
4
nc
4
CSc1[nH]cnc1CN(C(=O)[C@H](C)N)C1CC1
CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
[nH]
<|startoftext|><L>C<mask_1:1>Sc1nccnc1CN(C(=O)[C@H](C)N)C1CC1<mask_1:1>
0
1
1
1
CCSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
C
<|startoftext|><L>CSc1nccnc1C<mask_1:4>(=O)[C@H](C)N)C1CC1<mask_1:4>
3
11
4
N(C
4
CSc1nccnc1CCN(C(=O)[C@H](C)N)C1CC1
CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
CN(C
<|startoftext|><L>CSc1nccnc1CN(C(=O)[C<mask_1:1>@H](C)N)C1CC1<mask_1:1>
0
20
1
1
CSc1nccnc1CN(C(=O)[C@@H](C)N)C1CC1
CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1
@