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>O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2<mask_1:8>c1cccc(Cl)c1<mask_1:8>
6
37
8
c1=O)N
8
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)NCCc1cccc(Cl)c1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
c1=O)NCC
<|startoftext|><L>O=C(Cn1nc2c3cc(F)ccc3n(Cc3c<mask_1:4>)cc-2c1=O)Nc1cccc(Cl)c1<mask_1:4>
5
27
4
cccc3
4
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccco3)cc-2c1=O)Nc1cccc(Cl)c1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
cco3
<|startoftext|><L>O<mask_1:4>Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1<mask_1:4>
3
1
4
=C(
4
O=C(CCn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
=C(C
<|startoftext|><L>O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(<mask_1:1>)c1<mask_1:1>
2
50
1
Cl
1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(F)c1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
F
<|startoftext|><L>O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc<mask_1:3>2c1=O)Nc1cccc(Cl)c1<mask_1:3>
5
31
3
3)cc-
3
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)n2c1=O)Nc1cccc(Cl)c1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
3)n
<|startoftext|><L>O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)<mask_1:6>c1cccc(Cl)c1<mask_1:6>
1
42
6
N
6
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)NC(=O)c1cccc(Cl)c1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
NC(=O)
<|startoftext|><L>O<mask_1:6>C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1<mask_1:6>
1
1
6
=
6
O=C(O)CC(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
=C(O)C
<|startoftext|><L>O=C(Cn1nc2c3cc(F)ccc3n(Cc3<mask_1:8>3)cc-2c1=O)Nc1cccc(Cl)c1<mask_1:8>
5
26
8
ccccc
8
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccc(F)cc3)cc-2c1=O)Nc1cccc(Cl)c1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
ccc(F)cc
<|startoftext|><L>O=C(Cn1nc2<mask_1:5>c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1<mask_1:5>
0
10
5
5
O=C(Cn1nc2c(=O)c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
c(=O)
<|startoftext|><L>O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1<mask_1:7>cccc(Cl)c1<mask_1:7>
6
39
7
=O)Nc1
7
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)NCc1cccc(Cl)c1
O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1cccc(Cl)c1
=O)NCc1
<|startoftext|><L>Cc1c(Cl)cccc1N(CC(<mask_1:5>c1ccccc1C(C)C)S(C)(=O)=O<mask_1:5>
7
18
5
=O)NCCO
5
Cc1c(Cl)cccc1N(CC(=O)NCc1ccccc1C(C)C)S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
=O)NC
<|startoftext|><L>Cc1c(Cl)ccc<mask_1:6>CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O<mask_1:6>
4
11
6
c1N(
6
Cc1c(Cl)cccc1N(CCCC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
c1N(CC
<|startoftext|><L>Cc1c(Cl)cccc1N(CC(=O)N<mask_1:2>ccccc1C(C)C)S(C)(=O)=O<mask_1:2>
5
22
2
CCOc1
2
Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
c1
<|startoftext|><L>Cc1c(Cl)cccc1N(CC(=O)N<mask_1:4>COc1ccccc1C(C)C)S(C)(=O)=O<mask_1:4>
1
22
4
C
4
Cc1c(Cl)cccc1N(CC(=O)NCCCCCOc1ccccc1C(C)C)S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
CCCC
<|startoftext|><L>Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccc<mask_1:7>1C(C)C)S(C)(=O)=O<mask_1:7>
2
30
7
cc
7
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccc(C=O)cc1C(C)C)S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
(C=O)cc
<|startoftext|><L>Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccc<mask_1:5>C)S(C)(=O)=O<mask_1:5>
7
30
5
cc1C(C)
5
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1OCC)S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
cc1OC
<|startoftext|><L>Cc1c(Cl)cc<mask_1:7>CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O<mask_1:7>
5
10
7
cc1N(
7
Cc1c(Cl)cccc1N(CCCC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
cc1N(CC
<|startoftext|><L>Cc1c(Cl)cccc1N(CC(=O)NC<mask_1:1>cccc1C(C)C)S(C)(=O)=O<mask_1:1>
5
23
1
COc1c
1
Cc1c(Cl)cccc1N(CC(=O)NC1cccc1C(C)C)S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
1
<|startoftext|><L>Cc1c(Cl)cccc1N(<mask_1:4>)NCCOc1ccccc1C(C)C)S(C)(=O)=O<mask_1:4>
5
15
4
CC(=O
4
Cc1c(Cl)cccc1N(C(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
C(=O
<|startoftext|><L>Cc1c(Cl)cc<mask_1:6>(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O<mask_1:6>
7
10
6
cc1N(CC
6
Cc1c(Cl)cccc1N(C(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O
cc1N(C
<|startoftext|><L>COC1(C)CCN<mask_1:3>O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1<mask_1:3>
4
10
3
(C(=
3
COC1(C)CCN(C(O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
(C(
<|startoftext|><L>COC1(C)CCN(<mask_1:3>[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1<mask_1:3>
5
11
3
C(=O)
3
COC1(C)CCN(CCO[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
CCO
<|startoftext|><L>COC1(C)CCN(C(=<mask_1:5>C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1<mask_1:5>
9
14
5
O)[C@@H]2
5
COC1(C)CCN(C(=O)N2CC[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
O)N2C
<|startoftext|><L>COC1(C)CCN(C(=O)[C@@H]2C[C@@]<mask_1:7>(c2cc(C(F)(F)F)ncn2)CCO3)CC1<mask_1:7>
8
29
7
3(CO2)CN
7
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)N(c2cc(C(F)(F)F)ncn2)CCO3)CC1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
3(CO2)N
<|startoftext|><L>COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)<mask_1:9>(C(F)(F)F)ncn2)CCO3)CC1<mask_1:9>
7
35
9
CN(c2cc
9
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(CCc2cc(C(F)(F)F)ncn2)CCO3)CC1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
CN(CCc2cc
<|startoftext|><L>COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO<mask_1:3>(c2cc(C(F)(F)F)ncn2)CCO3)CC1<mask_1:3>
4
33
3
2)CN
3
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)N(c2cc(C(F)(F)F)ncn2)CCO3)CC1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
2)N
<|startoftext|><L>COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(<mask_1:5>)(F)F)ncn2)CCO3)CC1<mask_1:5>
3
43
5
C(F
5
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(NCC(F)(F)F)ncn2)CCO3)CC1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
NCC(F
<|startoftext|><L>COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)<mask_1:1>n2)CCO3)CC1<mask_1:1>
2
52
1
nc
1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)on2)CCO3)CC1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
o
<|startoftext|><L>COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)<mask_1:9>cn2)CCO3)CC1<mask_1:9>
6
47
9
(F)F)n
9
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)c(C)cn2)CCO3)CC1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
(F)F)c(C)
<|startoftext|><L>COC1(C)CCN(C(=O)[C@@H]2C[C@@<mask_1:8>(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1<mask_1:8>
2
28
8
]3
8
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(O)CCC(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1
]3(O)CCC
<|startoftext|><L>COc1c<mask_1:1>(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1<mask_1:1>
3
5
1
ccc
1
COc1cc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
c
<|startoftext|><L>COc1cccc(Nc2nnc(SCC(=O)N[C@@H](<mask_1:8>C@@H]3C[C@H]4CC[C@H]3C4)s2)c1<mask_1:8>
3
31
8
C)[
8
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C(C)C)C[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
C(C)C)C[
<|startoftext|><L>COc1cccc(Nc2nnc(SCC(=O<mask_1:5>H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1<mask_1:5>
6
22
5
)N[C@@
5
COc1cccc(Nc2nnc(SCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
)N[C@
<|startoftext|><L>COc<mask_1:9>1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1<mask_1:9>
0
3
9
9
COc1ccccc1-c1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
1ccccc1-c
<|startoftext|><L>COc1cccc(Nc2nnc(SCC(=O)N<mask_1:2>](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1<mask_1:2>
5
24
2
[C@@H
2
COc1cccc(Nc2nnc(SCC(=O)N[C](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
[C
<|startoftext|><L>COc1cccc(Nc2nnc(S<mask_1:8>CC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1<mask_1:8>
0
17
8
8
COc1cccc(Nc2nnc(SCC(=O)NCCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
CC(=O)NC
<|startoftext|><L>COc1cccc(Nc2nnc(SCC(=<mask_1:8>@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1<mask_1:8>
6
21
8
O)N[C@
8
COc1cccc(Nc2nnc(SCC(=O)N(C)[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
O)N(C)[C
<|startoftext|><L>COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C<mask_1:8>]3C[C@H]4CC[C@H]3C4)s2)c1<mask_1:8>
6
32
8
)[C@@H
7
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)C[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
)C[C@@H
<|startoftext|><L>COc1cccc(<mask_1:6>2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1<mask_1:6>
2
9
6
Nc
6
COc1cccc(/C=N/c2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
/C=N/c
<|startoftext|><L>COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]<mask_1:3>H]4CC[C@H]3C4)s2)c1<mask_1:3>
5
39
3
3C[C@
3
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3[CH]4CC[C@H]3C4)s2)c1
COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1
3[C
<|startoftext|><L>Cc1ccc(Cl)cc1<mask_1:2>=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1<mask_1:2>
3
13
2
NC(
2
Cc1ccc(Cl)cc1C(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
C(
<|startoftext|><L>Cc1ccc(Cl<mask_1:6>=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1<mask_1:6>
7
9
6
)cc1NC(
6
Cc1ccc(Cl)cc1C(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
)cc1C(
<|startoftext|><L>Cc1ccc(Cl)cc1NC(=O)CC(=O)<mask_1:3>([C@@H](O)Cc2ccccc2)CC1<mask_1:3>
5
25
3
N1CCC
3
Cc1ccc(Cl)cc1NC(=O)CC(=O)NC1([C@@H](O)Cc2ccccc2)CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
NC1
<|startoftext|><L>Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC(<mask_1:4>[C@@H](O)Cc2ccccc2)CC1<mask_1:4>
0
31
4
4
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC(O)(C[C@@H](O)Cc2ccccc2)CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
O)(C
<|startoftext|><L>Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H]<mask_1:6>c2ccccc2)CC1<mask_1:6>
4
37
6
(O)C
6
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)COCc2ccccc2)CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
(O)COC
<|startoftext|><L>Cc1ccc(Cl)cc1NC(=O)C<mask_1:5>(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1<mask_1:5>
1
20
5
C
5
Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
S(=O)
<|startoftext|><L>Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC(<mask_1:7>](O)Cc2ccccc2)CC1<mask_1:7>
5
31
7
[C@@H
7
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC(OC[C@@H](O)Cc2ccccc2)CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
OC[C@@H
<|startoftext|><L>Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H]<mask_1:6>2ccccc2)CC1<mask_1:6>
5
37
6
(O)Cc
6
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
(O)CCc
<|startoftext|><L>Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CC<mask_1:7>@H](O)Cc2ccccc2)CC1<mask_1:7>
5
29
7
C([C@
7
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC(NC[C@@H](O)Cc2ccccc2)CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
C(NC[C@
<|startoftext|><L>Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2c<mask_1:4>)CC1<mask_1:4>
5
44
4
cccc2
4
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2cccs2)CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
ccs2
<|startoftext|><L>CCCCO<mask_1:2>cc(C(=S)NCc2cccc(C)c2)cc1<mask_1:2>
3
5
2
c1c
2
CCCCOn1cc(C(=S)NCc2cccc(C)c2)cc1
CCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
n1
<|startoftext|><L>CCCCOc1ccc(C(=S<mask_1:2>NCc2cccc(C)c2)cc1<mask_1:2>
1
15
2
)
2
CCCCOc1ccc(C(=S)NNCc2cccc(C)c2)cc1
CCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
)N
<|startoftext|><L>CCC<mask_1:3>COc1ccc(C(=S)NCc2cccc(C)c2)cc1<mask_1:3>
0
3
3
3
CCCCCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
CCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
CCC
<|startoftext|><L>CCCCOc1ccc(C(=S)NCc2ccc<mask_1:3>c(C)c2)cc1<mask_1:3>
0
23
3
3
CCCCOc1ccc(C(=S)NCc2ccc(C)c(C)c2)cc1
CCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
(C)
<|startoftext|><L>CCCCOc1ccc(C<mask_1:3>S)NCc2cccc(C)c2)cc1<mask_1:3>
2
12
3
(=
3
CCCCOc1ccc(CC(=S)NCc2cccc(C)c2)cc1
CCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
C(=
<|startoftext|><L><mask_1:2>COc1ccc(C(=S)NCc2cccc(C)c2)cc1<mask_1:2>
3
0
2
CCC
2
CCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
CCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
CC
<|startoftext|><L>CCCCOc1<mask_1:2>(C(=S)NCc2cccc(C)c2)cc1<mask_1:2>
3
7
2
ccc
2
CCCCOc1sc(C(=S)NCc2cccc(C)c2)cc1
CCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
sc
<|startoftext|><L>CCCCOc<mask_1:3>ccc(C(=S)NCc2cccc(C)c2)cc1<mask_1:3>
1
6
3
1
3
CCCCOc1ccccc(C(=S)NCc2cccc(C)c2)cc1
CCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
1cc
<|startoftext|><L>CCC<mask_1:2>1ccc(C(=S)NCc2cccc(C)c2)cc1<mask_1:2>
3
3
2
COc
2
CCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
CCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
Oc
<|startoftext|><L>CCCCOc1ccc(C(<mask_1:4>)NCc2cccc(C)c2)cc1<mask_1:4>
2
13
4
=S
4
CCCCOc1ccc(C(C)(C)NCc2cccc(C)c2)cc1
CCCCOc1ccc(C(=S)NCc2cccc(C)c2)cc1
C)(C
<|startoftext|><L>CCCOc1c(Cl<mask_1:5>c(Cl)cc1C=C1C(=O)NC(=O)NC1=O<mask_1:5>
2
10
5
)c
5
CCCOc1c(Cl)c(C)c(Cl)cc1C=C1C(=O)NC(=O)NC1=O
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
)c(C)
<|startoftext|><L>CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC<mask_1:2>=O)NC1=O<mask_1:2>
1
31
2
(
2
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NCC(=O)NC1=O
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
C(
<|startoftext|><L>CCCOc1c(<mask_1:6>)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O<mask_1:6>
2
8
6
Cl
6
CCCOc1c(C(=O)O)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
C(=O)O
<|startoftext|><L>CCCOc1c(Cl)cc(Cl)cc1C=<mask_1:6>C(=O)NC(=O)NC1=O<mask_1:6>
2
22
6
C1
6
CCCOc1c(Cl)cc(Cl)cc1C=C1\C=CC(=O)NC(=O)NC1=O
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
C1\C=C
<|startoftext|><L>CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)N<mask_1:4>C(=O)NC1=O<mask_1:4>
0
30
4
4
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)N(C)CC(=O)NC1=O
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
(C)C
<|startoftext|><L>CCCOc1c(Cl)cc(C<mask_1:6>)cc1C=C1C(=O)NC(=O)NC1=O<mask_1:6>
1
15
6
l
6
CCCOc1c(Cl)cc(C(=O)OC)cc1C=C1C(=O)NC(=O)NC1=O
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
(=O)OC
<|startoftext|><L><mask_1:6>CCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O<mask_1:6>
1
0
6
C
6
CC(=O)CCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
CC(=O)
<|startoftext|><L>CCCOc1c(Cl)cc(Cl)cc<mask_1:6>C(=O)NC(=O)NC1=O<mask_1:6>
5
19
6
1C=C1
6
CCCOc1c(Cl)cc(Cl)cc1/C=C1C(=O)NC(=O)NC1=O
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
1/C=C1
<|startoftext|><L>CCCOc1c(Cl)cc(Cl)cc1C<mask_1:4>C1C(=O)NC(=O)NC1=O<mask_1:4>
1
21
4
=
4
CCCOc1c(Cl)cc(Cl)cc1CNCCNC1C(=O)NC(=O)NC1=O
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
NCCN
<|startoftext|><L>CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)N<mask_1:4>C1=O<mask_1:4>
0
36
4
4
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)N(C)CC1=O
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O
(C)C
<|startoftext|><L>COc1ccc(-n2nc(C)c<mask_1:6>O)C[C@@H]3c2ccc(F)c(Br)c2)nn1<mask_1:6>
7
17
6
3c2N=C(
6
COc1ccc(-n2nc(C)c3c2C(=O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
3c2C(=
<|startoftext|><L>COc1ccc(-n2nc(C)c3c2N=C<mask_1:4>)C[C@@H]3c2ccc(F)c(Br)c2)nn1<mask_1:4>
2
23
4
(O
4
COc1ccc(-n2nc(C)c3c2N=C(C#N)C[C@@H]3c2ccc(F)c(Br)c2)nn1
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
(C#N
<|startoftext|><L>COc1<mask_1:2>(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1<mask_1:2>
3
4
2
ccc
2
COc1cn(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
cn
<|startoftext|><L>COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc<mask_1:4>r)c2)nn1<mask_1:4>
6
39
4
(F)c(B
3
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2cccc(Br)c2)nn1
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
c(B
<|startoftext|><L>COc1ccc(-n2nc(C)c3c2N=C(O)C<mask_1:1>[C@@H]3c2ccc(F)c(Br)c2)nn1<mask_1:1>
0
27
1
1
COc1ccc(-n2nc(C)c3c2N=C(O)CC[C@@H]3c2ccc(F)c(Br)c2)nn1
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
C
<|startoftext|><L>COc1ccc(-n2nc(C)c3c2N=<mask_1:1>[C@@H]3c2ccc(F)c(Br)c2)nn1<mask_1:1>
5
22
1
C(O)C
1
COc1ccc(-n2nc(C)c3c2N=C[C@@H]3c2ccc(F)c(Br)c2)nn1
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
C
<|startoftext|><L>COc1ccc(<mask_1:3>-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1<mask_1:3>
0
8
3
3
COc1ccc(COC-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
COC
<|startoftext|><L>C<mask_1:3>1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1<mask_1:3>
2
1
3
Oc
3
CCOc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
COc
<|startoftext|><L>C<mask_1:6>-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1<mask_1:6>
7
1
6
Oc1ccc(
6
CCn1cc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
Cn1cc(
<|startoftext|><L>COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3<mask_1:2>2ccc(F)c(Br)c2)nn1<mask_1:2>
1
34
2
c
2
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3Nc2ccc(F)c(Br)c2)nn1
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(F)c(Br)c2)nn1
Nc
<|startoftext|><L>COC(=O)c1n[nH]c2c1CN(C(=O)<mask_1:9>CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2<mask_1:9>
6
26
9
[C@H]1
9
COC(=O)c1n[nH]c2c1CN(C(=O)[C@@]1(C)CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
[C@@]1(C)
<|startoftext|><L>COC(=O)c1n[nH]c2c1CN(C(=<mask_1:9>C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2<mask_1:9>
3
24
9
O)[
9
COC(=O)c1n[nH]c2c1CN(C(=O)NC(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
O)NC(=O)[
<|startoftext|><L>COC(=O)c1n[nH]c2c1CN(C(=O)[C<mask_1:6>N(c3nc4cc(Cl)ccc4o3)C1)CC2<mask_1:6>
7
28
6
@H]1CCC
6
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCN(c3nc4cc(Cl)ccc4o3)C1)CC2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
@H]1CC
<|startoftext|><L>COC(=O<mask_1:6>2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2<mask_1:6>
9
6
6
)c1n[nH]c
6
COC(=O)c1coc2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
)c1coc
<|startoftext|><L>COC(=O<mask_1:6>c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2<mask_1:6>
1
6
6
)
6
COC(=O)/C=C/c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
)/C=C/
<|startoftext|><L>COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc<mask_1:2>)ccc4o3)C1)CC2<mask_1:2>
3
44
2
(Cl
2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(C)ccc4o3)C1)CC2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
(C
<|startoftext|><L><mask_1:2>n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2<mask_1:2>
9
0
2
COC(=O)c1
2
c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
c1
<|startoftext|><L>COC(=O)c1n[nH]c<mask_1:7>=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2<mask_1:7>
8
15
7
2c1CN(C(
7
COC(=O)c1n[nH]c2c1N(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
2c1N(C(
<|startoftext|><L>COC(=O)c1n[nH]c2c1C<mask_1:9>)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2<mask_1:9>
6
19
9
N(C(=O
9
COC(=O)c1n[nH]c2c1CN([C@H](C)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
N([C@H](C
<|startoftext|><L>COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4<mask_1:1>ccc4o3)C1)CC2<mask_1:1>
6
42
1
cc(Cl)
1
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4sccc4o3)C1)CC2
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2
s
<|startoftext|><L>CN(CC(=O)O)C[C<mask_1:8>(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1<mask_1:8>
7
14
8
@@H]1CN
7
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
@@H]1CN
<|startoftext|><L>CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(C<mask_1:6>)CCO1<mask_1:6>
4
49
6
l)c2
6
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(C#N)c2F)CCO1
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
#N)c2F
<|startoftext|><L>CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C<mask_1:8>c2cccc(Cl)c2)CCO1<mask_1:8>
7
34
8
[C@@H]2
8
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2Cc2cccc(Cl)c2)CCO1
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
[C@@H]2C
<|startoftext|><L>CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(<mask_1:7>O1<mask_1:7>
8
48
7
Cl)c2)CC
7
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CO1
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
Cl)c2)C
<|startoftext|><L>CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@<mask_1:7>@@H]2c2cccc(Cl)c2)CCO1<mask_1:7>
6
30
7
H]2C[C
7
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
@H]2C[C
<|startoftext|><L>C<mask_1:5>C(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1<mask_1:5>
3
1
5
N(C
5
CCN(CCC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
CN(CC
<|startoftext|><L>CN(CC(=O<mask_1:5>[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1<mask_1:5>
4
8
5
)O)C
5
CN(CC(=O)O)CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
)O)CC
<|startoftext|><L>CN(CC(=O)O)C[C@@H]1CN(C(=O)[C<mask_1:3>H]2C[C@@H]2c2cccc(Cl)c2)CCO1<mask_1:3>
1
29
3
@
2
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
@@
<|startoftext|><L>CN(CC(=O<mask_1:6>C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1<mask_1:6>
5
8
6
)O)C[
6
CN(CC(=O)O)CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
)O)CC[
<|startoftext|><L>CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(C<mask_1:4>l)c2)CCO1<mask_1:4>
0
49
4
4
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(C(F)Cl)c2)CCO1
CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1
(F)C