prompt
stringlengths
49
285
first_mask_count
int64
0
16
first_start_index
int64
0
224
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
256
original_smiles
stringlengths
12
246
generated_tokens
stringlengths
0
18
<|startoftext|><L>COc1cccc2c<mask_1:4>c(CN3CC[C@@H]3c3ccccc3)nc12<mask_1:4>
1
10
4
c
4
COc1cccc2c(C)cc(CN3CC[C@@H]3c3ccccc3)nc12
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12
(C)c
<|startoftext|><L>COc1cccc2ccc(C<mask_1:5>3CC[C@@H]3c3ccccc3)nc12<mask_1:5>
1
14
5
N
5
COc1cccc2ccc(C(=O)N3CC[C@@H]3c3ccccc3)nc12
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12
(=O)N
<|startoftext|><L>COc1cccc2ccc<mask_1:4>CN3CC[C@@H]3c3ccccc3)nc12<mask_1:4>
1
12
4
(
4
COc1cccc2ccc(NCCCN3CC[C@@H]3c3ccccc3)nc12
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12
(NCC
<|startoftext|><L>COc1cccc2ccc(CN3CC<mask_1:3>[C@@H]3c3ccccc3)nc12<mask_1:3>
0
18
3
3
COc1cccc2ccc(CN3CCCCC[C@@H]3c3ccccc3)nc12
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12
CCC
<|startoftext|><L>COc1cccc2ccc(CN3<mask_1:5>C[C@@H]3c3ccccc3)nc12<mask_1:5>
1
16
5
C
5
COc1cccc2ccc(CN3C(=O)C[C@@H]3c3ccccc3)nc12
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12
C(=O)
<|startoftext|><L>COc1cccc2ccc(CN3CC[C@@H]3c3ccccc<mask_1:5>12<mask_1:5>
4
32
5
3)nc
5
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3F)nc12
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12
3F)nc
<|startoftext|><L>COc1cccc2ccc(CN3CC[C@@H]3c<mask_1:5>cccc3)nc12<mask_1:5>
2
26
5
3c
5
COc1cccc2ccc(CN3CC[C@@H]3c3c(O)cccc3)nc12
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12
3c(O)
<|startoftext|><L>COc1cccc2ccc(CN3CC[C<mask_1:2>3c3ccccc3)nc12<mask_1:2>
4
20
2
@@H]
2
COc1cccc2ccc(CN3CC[CH]3c3ccccc3)nc12
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12
H]
<|startoftext|><L>COc1cccc2ccc(CN<mask_1:5>C[C@@H]3c3ccccc3)nc12<mask_1:5>
2
15
5
3C
5
COc1cccc2ccc(CN3CCCCC[C@@H]3c3ccccc3)nc12
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12
3CCCC
<|startoftext|><L>COc1cccc2ccc(CN3CC[C@@H]3c3c<mask_1:5>cc3)nc12<mask_1:5>
2
28
5
cc
5
COc1cccc2ccc(CN3CC[C@@H]3c3ccc(F)cc3)nc12
COc1cccc2ccc(CN3CC[C@@H]3c3ccccc3)nc12
cc(F)
<|startoftext|><L>Cc1ccc<mask_1:5>(=O)COc2ccc(C(=O)O)cc2Br)c1<mask_1:5>
4
6
5
c(NC
5
Cc1cccc(CNC(=O)COc2ccc(C(=O)O)cc2Br)c1
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
c(CNC
<|startoftext|><L>Cc1cccc(NC(=<mask_1:4>COc2ccc(C(=O)O)cc2Br)c1<mask_1:4>
2
12
4
O)
4
Cc1cccc(NC(=O)NCCOc2ccc(C(=O)O)cc2Br)c1
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
O)NC
<|startoftext|><L>Cc1cccc(NC(=O)COc2ccc(C<mask_1:4>)O)cc2Br)c1<mask_1:4>
3
23
4
(=O
4
Cc1cccc(NC(=O)COc2ccc(CC(=O)O)cc2Br)c1
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
C(=O
<|startoftext|><L>Cc1cccc(NC(=O)COc2ccc<mask_1:5>(=O)O)cc2Br)c1<mask_1:5>
2
21
5
(C
5
Cc1cccc(NC(=O)COc2ccc(OCCC(=O)O)cc2Br)c1
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
(OCCC
<|startoftext|><L>Cc1cccc(NC(=O)C<mask_1:3>c2ccc(C(=O)O)cc2Br)c1<mask_1:3>
1
15
3
O
3
Cc1cccc(NC(=O)CCSCc2ccc(C(=O)O)cc2Br)c1
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
CSC
<|startoftext|><L>Cc1cccc(N<mask_1:4>COc2ccc(C(=O)O)cc2Br)c1<mask_1:4>
5
9
4
C(=O)
4
Cc1cccc(N(C)CCOc2ccc(C(=O)O)cc2Br)c1
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
(C)C
<|startoftext|><L>Cc1cccc(NC(=O)COc2ccc(C(=O)O)<mask_1:5>c2Br)c1<mask_1:5>
1
29
5
c
5
Cc1cccc(NC(=O)COc2ccc(C(=O)O)c(Cl)c2Br)c1
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
c(Cl)
<|startoftext|><L>Cc1cccc<mask_1:3>O)COc2ccc(C(=O)O)cc2Br)c1<mask_1:3>
5
7
3
(NC(=
3
Cc1cccc(C(O)COc2ccc(C(=O)O)cc2Br)c1
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
(C(
<|startoftext|><L>Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc<mask_1:3>1<mask_1:3>
5
31
3
2Br)c
3
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2)n1
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
2)n
<|startoftext|><L>Cc1<mask_1:4>NC(=O)COc2ccc(C(=O)O)cc2Br)c1<mask_1:4>
5
3
4
cccc(
4
Cc1csc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Br)c1
csc(
<|startoftext|><L>Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CC<mask_1:3>CC2)cs1<mask_1:3>
0
40
3
3
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCCCCC2)cs1
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cs1
CCC
<|startoftext|><L>Cc1nc(C(=O)N(Cc2ccc<mask_1:6>OCC3(C)COC3)c2)C2CCCC2)cs1<mask_1:6>
2
19
6
c(
6
Cc1nc(C(=O)N(Cc2ccc(OC)c(OCC3(C)COC3)c2)C2CCCC2)cs1
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cs1
(OC)c(
<|startoftext|><L>Cc1nc(C(=O)N(<mask_1:7>cc(OCC3(C)COC3)c2)C2CCCC2)cs1<mask_1:7>
5
13
7
Cc2cc
8
Cc1nc(C(=O)N(Cc2cc(F)cc(OCC3(C)COC3)c2)C2CCCC2)cs1
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cs1
Cc2cc(F)
<|startoftext|><L>Cc1nc(C(=O)N(Cc2cccc(OC<mask_1:2>3(C)COC3)c2)C2CCCC2)cs1<mask_1:2>
1
23
2
C
2
Cc1nc(C(=O)N(Cc2cccc(OCCC3(C)COC3)c2)C2CCCC2)cs1
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cs1
CC
<|startoftext|><L>Cc1nc(C(=O)N(Cc2cccc(OC<mask_1:7>COC3)c2)C2CCCC2)cs1<mask_1:7>
5
23
7
C3(C)
7
Cc1nc(C(=O)N(Cc2cccc(OC[C@H]3CCOC3)c2)C2CCCC2)cs1
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cs1
[C@H]3C
<|startoftext|><L>Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2C<mask_1:5>C2)cs1<mask_1:5>
2
39
5
CC
5
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CC(O)CC2)cs1
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cs1
C(O)C
<|startoftext|><L>Cc1nc(C(=O)N(Cc2cccc(OCC3(<mask_1:1>C)COC3)c2)C2CCCC2)cs1<mask_1:1>
0
26
1
1
Cc1nc(C(=O)N(Cc2cccc(OCC3(OC)COC3)c2)C2CCCC2)cs1
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cs1
O
<|startoftext|><L>Cc1nc(C(=O)N(Cc2cccc(OCC3(C)C<mask_1:7>C3)c2)C2CCCC2)cs1<mask_1:7>
1
29
7
O
7
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)CCN(CCO)C3)c2)C2CCCC2)cs1
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cs1
CN(CCO)
<|startoftext|><L>Cc1nc(C(=O)N(Cc2c<mask_1:2>OCC3(C)COC3)c2)C2CCCC2)cs1<mask_1:2>
4
17
2
ccc(
2
Cc1nc(C(=O)N(Cc2cc(OCC3(C)COC3)c2)C2CCCC2)cs1
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cs1
c(
<|startoftext|><L>Cc1nc(C(=O)N(Cc2cccc(OCC3<mask_1:1>(C)COC3)c2)C2CCCC2)cs1<mask_1:1>
0
25
1
1
Cc1nc(C(=O)N(Cc2cccc(OCC3N(C)COC3)c2)C2CCCC2)cs1
Cc1nc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cs1
N
<|startoftext|><L>CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H]<mask_1:4>(C)C2)cc1<mask_1:4>
0
42
4
4
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C(C)C2)cc1
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
(C)C
<|startoftext|><L>CCCNC(=O)Nc1ccc(CC(=O)NCC2<mask_1:3>H](C)C[C@H](C)C2)cc1<mask_1:3>
5
26
3
C[C@@
3
CCCNC(=O)Nc1ccc(CC(=O)NCC2[C@H](C)C[C@H](C)C2)cc1
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
[C@
<|startoftext|><L>CCCNC(=O)Nc1ccc(CC(=O)N<mask_1:2>C2C[C@@H](C)C[C@H](C)C2)cc1<mask_1:2>
1
23
2
C
2
CCCNC(=O)Nc1ccc(CC(=O)NCCC2C[C@@H](C)C[C@H](C)C2)cc1
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
CC
<|startoftext|><L>CCCNC(=O)Nc1ccc(CC<mask_1:2>NCC2C[C@@H](C)C[C@H](C)C2)cc1<mask_1:2>
4
18
2
(=O)
2
CCCNC(=O)Nc1ccc(CCCCNCC2C[C@@H](C)C[C@H](C)C2)cc1
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
CC
<|startoftext|><L>CCCNC(=O)Nc1ccc(CC(=O)NCC2C<mask_1:5>(C)C[C@H](C)C2)cc1<mask_1:5>
6
27
5
[C@@H]
5
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@H](C)C[C@H](C)C2)cc1
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
[C@H]
<|startoftext|><L>CCCN<mask_1:3>)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1<mask_1:3>
4
4
3
C(=O
3
CCCN(CC)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
(CC
<|startoftext|><L>CCCNC(=O)Nc1ccc(CC(=O)NC<mask_1:4>2C[C@@H](C)C[C@H](C)C2)cc1<mask_1:4>
1
24
4
C
4
CCCNC(=O)Nc1ccc(CC(=O)NCCCCN2C[C@@H](C)C[C@H](C)C2)cc1
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
CCCN
<|startoftext|><L>CCCNC(=O)Nc1c<mask_1:5>=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1<mask_1:5>
6
13
5
cc(CC(
5
CCCNC(=O)Nc1ccc(C(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
cc(C(
<|startoftext|><L>CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C<mask_1:2>[C@H](C)C2)cc1<mask_1:2>
0
37
2
2
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)CCC[C@H](C)C2)cc1
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
CC
<|startoftext|><L>CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)<mask_1:5>C)C2)cc1<mask_1:5>
7
36
5
C[C@H](
5
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C(C)(C)C2)cc1
CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1
C(C)(
<|startoftext|><L>O=c1cc(-c2ccccc2)oc<mask_1:1>ccc12<mask_1:1>
3
19
1
2cc
1
O=c1cc(-c2ccccc2)oc2ccc12
O=c1cc(-c2ccccc2)oc2ccccc12
2
<|startoftext|><L>O<mask_1:4>=c1cc(-c2ccccc2)oc2ccccc12<mask_1:4>
0
1
4
4
OCCCN=c1cc(-c2ccccc2)oc2ccccc12
O=c1cc(-c2ccccc2)oc2ccccc12
CCCN
<|startoftext|><L>O=c1cc(-c2ccccc2)oc2cc<mask_1:1>c12<mask_1:1>
2
22
1
cc
1
O=c1cc(-c2ccccc2)oc2ccsc12
O=c1cc(-c2ccccc2)oc2ccccc12
s
<|startoftext|><L>O=c1cc(-<mask_1:2>ccc2)oc2ccccc12<mask_1:2>
4
8
2
c2cc
2
O=c1cc(-c2ccc2)oc2ccccc12
O=c1cc(-c2ccccc2)oc2ccccc12
c2
<|startoftext|><L>O=c1cc(-c2ccccc2)oc2<mask_1:1>ccc12<mask_1:1>
2
20
1
cc
1
O=c1cc(-c2ccccc2)oc2sccc12
O=c1cc(-c2ccccc2)oc2ccccc12
s
<|startoftext|><L>O<mask_1:2>c(-c2ccccc2)oc2ccccc12<mask_1:2>
4
1
2
=c1c
2
Oc1c(-c2ccccc2)oc2ccccc12
O=c1cc(-c2ccccc2)oc2ccccc12
c1
<|startoftext|><L>O=c1cc(-c2c<mask_1:4>ccc2)oc2ccccc12<mask_1:4>
1
11
4
c
4
O=c1cc(-c2cc(F)ccc2)oc2ccccc12
O=c1cc(-c2ccccc2)oc2ccccc12
c(F)
<|startoftext|><L>O=c1cc(-c2ccccc<mask_1:3>2ccccc12<mask_1:3>
4
15
3
2)oc
3
O=c1cc(-c2ccccc2)s2ccccc12
O=c1cc(-c2ccccc2)oc2ccccc12
2)s
<|startoftext|><L>O=c1cc<mask_1:3>ccccc2)oc2ccccc12<mask_1:3>
4
6
3
(-c2
3
O=c1cc(c2ccccc2)oc2ccccc12
O=c1cc(-c2ccccc2)oc2ccccc12
(c2
<|startoftext|><L>O=c1<mask_1:4>c(-c2ccccc2)oc2ccccc12<mask_1:4>
1
4
4
c
4
O=c1c(O)c(-c2ccccc2)oc2ccccc12
O=c1cc(-c2ccccc2)oc2ccccc12
c(O)
<|startoftext|><L>O=S(=O)(NCc1cccnc1)<mask_1:5>c1ccc(Cl)c(Cl)c1Cl<mask_1:5>
0
19
5
5
O=S(=O)(NCc1cccnc1)/C=C/c1ccc(Cl)c(Cl)c1Cl
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
/C=C/
<|startoftext|><L>O=<mask_1:1>(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl<mask_1:1>
5
2
1
S(=O)
1
O=C(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
C
<|startoftext|><L>O=S(=O<mask_1:3>c1cccnc1)c1ccc(Cl)c(Cl)c1Cl<mask_1:3>
4
6
3
)(NC
3
O=S(=O)(Nc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
)(N
<|startoftext|><L>O=S<mask_1:2>(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl<mask_1:2>
4
3
2
(=O)
2
O=S=C(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
=C
<|startoftext|><L>O=S(=O)(NCc1cccnc1)c1cc<mask_1:4>(Cl)c(Cl)c1Cl<mask_1:4>
1
23
4
c
4
O=S(=O)(NCc1cccnc1)c1cc(F)c(Cl)c(Cl)c1Cl
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
(F)c
<|startoftext|><L>O=S(=O)(NCc1cccnc1)c1<mask_1:3>Cl)c(Cl)c1Cl<mask_1:3>
4
21
3
ccc(
3
O=S(=O)(NCc1cccnc1)c1sc(Cl)c(Cl)c1Cl
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
sc(
<|startoftext|><L>O=S(=O)<mask_1:5>(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl<mask_1:5>
0
7
5
5
O=S(=O)(O)CC(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
(O)CC
<|startoftext|><L>O=S(=O)(NCc1c<mask_1:5>nc1)c1ccc(Cl)c(Cl)c1Cl<mask_1:5>
2
13
5
cc
5
O=S(=O)(NCc1ccc(O)nc1)c1ccc(Cl)c(Cl)c1Cl
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
cc(O)
<|startoftext|><L>O=S(=O)(NCc1cccnc1<mask_1:5>c1ccc(Cl)c(Cl)c1Cl<mask_1:5>
1
18
5
)
5
O=S(=O)(NCc1cccnc1SCCO)c1ccc(Cl)c(Cl)c1Cl
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
SCCO)
<|startoftext|><L>O=S(=O)(N<mask_1:4>1cccnc1)c1ccc(Cl)c(Cl)c1Cl<mask_1:4>
2
9
4
Cc
4
O=S(=O)(NCCCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
CCCc
<|startoftext|><L>O=C(Cn1ccc(=O)[n<mask_1:7>)N1CCC[C@H]1c1nc2ccccc2s1<mask_1:7>
6
16
7
H]c1=O
6
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
H]c1=O
<|startoftext|><L>O=C(Cn1ccc(=O)[nH]c1=O)N1CC<mask_1:4>C@H]1c1nc2ccccc2s1<mask_1:4>
2
27
4
C[
4
O=C(Cn1ccc(=O)[nH]c1=O)N1CCCCC[C@H]1c1nc2ccccc2s1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
CCC[
<|startoftext|><L>O=C(Cn1ccc(=O)[nH]c1=O)N<mask_1:5>C[C@H]1c1nc2ccccc2s1<mask_1:5>
3
24
5
1CC
5
O=C(Cn1ccc(=O)[nH]c1=O)N1CCCCC[C@H]1c1nc2ccccc2s1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
1CCCC
<|startoftext|><L>O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2cccc<mask_1:3>c2s1<mask_1:3>
0
43
3
3
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2cccc(F)c2s1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
(F)
<|startoftext|><L>O=C(Cn1ccc(=O)[nH]c1=O)N<mask_1:5>C[C@H]1c1nc2ccccc2s1<mask_1:5>
3
24
5
1CC
5
O=C(Cn1ccc(=O)[nH]c1=O)N1CCCCC[C@H]1c1nc2ccccc2s1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
1CCCC
<|startoftext|><L>O=C(Cn1ccc(=O)[nH]c<mask_1:7>N1CCC[C@H]1c1nc2ccccc2s1<mask_1:7>
4
19
7
1=O)
7
O=C(Cn1ccc(=O)[nH]c1=O)NCCN1CCC[C@H]1c1nc2ccccc2s1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
1=O)NCC
<|startoftext|><L>O=C(Cn1ccc(=O)[nH]c1=O<mask_1:6>C@H]1c1nc2ccccc2s1<mask_1:6>
7
22
6
)N1CCC[
6
O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H]1c1nc2ccccc2s1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
)N1CC[
<|startoftext|><L>O=C(Cn1cc<mask_1:7>)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1<mask_1:7>
4
9
7
c(=O
7
O=C(Cn1cc(C(=O)O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
(C(=O)O
<|startoftext|><L>O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1n<mask_1:7>c2s1<mask_1:7>
6
37
7
c2cccc
6
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
c2cccc
<|startoftext|><L>O=C(Cn1ccc(=O)[n<mask_1:5>N1CCC[C@H]1c1nc2ccccc2s1<mask_1:5>
7
16
5
H]c1=O)
5
O=C(Cn1ccc(=O)[nH]1)NN1CCC[C@H]1c1nc2ccccc2s1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1
H]1)N
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)Nc2ccc(I)c<mask_1:4>cc1OCCC<mask_1:4>
3
29
4
c2)
4
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2C)cc1OCCC
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
c2C)
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2<mask_1:1>)cc1OCCC<mask_1:1>
0
31
1
1
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2C)cc1OCCC
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
C
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)Nc2<mask_1:2>ccc(I)cc2)cc1OCCC<mask_1:2>
0
22
2
2
CCCOc1ccc(S(=O)(=O)Nc2ccccc(I)cc2)cc1OCCC
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
cc
<|startoftext|><L>CCCOc1ccc<mask_1:4>=O)(=O)Nc2ccc(I)cc2)cc1OCCC<mask_1:4>
3
9
4
(S(
4
CCCOc1ccc(CS(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
(CS(
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc<mask_1:1>CC<mask_1:1>
3
34
1
1OC
1
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1CC
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
1
<|startoftext|><L>CCCO<mask_1:4>cc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC<mask_1:4>
3
4
4
c1c
4
CCCOCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
Cc1c
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)Nc2ccc<mask_1:2>I)cc2)cc1OCCC<mask_1:2>
1
25
2
(
2
CCCOc1ccc(S(=O)(=O)Nc2ccc(CI)cc2)cc1OCCC
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
(C
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1<mask_1:5>OCCC<mask_1:5>
0
35
5
5
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C(=O)OCCC
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
C(=O)
<|startoftext|><L>CC<mask_1:4>1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC<mask_1:4>
3
2
4
COc
4
CCCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
CCOc
<|startoftext|><L>CCCOc1ccc(<mask_1:3>)(=O)Nc2ccc(I)cc2)cc1OCCC<mask_1:3>
4
10
3
S(=O
3
CCCOc1ccc(S(N)(=O)Nc2ccc(I)cc2)cc1OCCC
CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC
S(N
<|startoftext|><L>C/C=C/C=C/C(=O)NC<mask_1:4>c1ccc(S(=O)(=O)NC)cc1<mask_1:4>
0
17
4
4
C/C=C/C=C/C(=O)NC(=O)c1ccc(S(=O)(=O)NC)cc1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
(=O)
<|startoftext|><L>C/C=C/C=C/C(=O)NCc1ccc(S(=<mask_1:3>O)NC)cc1<mask_1:3>
4
26
3
O)(=
3
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(O)NC)cc1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
O)(
<|startoftext|><L>C/C=C/C=C/C(=O)<mask_1:1>NCc1ccc(S(=O)(=O)NC)cc1<mask_1:1>
0
15
1
1
C/C=C/C=C/C(=O)NNCc1ccc(S(=O)(=O)NC)cc1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
N
<|startoftext|><L>C<mask_1:5>C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1<mask_1:5>
3
1
5
/C=
5
C=C/CCC/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
=C/CC
<|startoftext|><L>C/C=C/C=C/C(=O)NCc1ccc(<mask_1:5>(=O)(=O)NC)cc1<mask_1:5>
1
23
5
S
5
C/C=C/C=C/C(=O)NCc1ccc(N(C)S(=O)(=O)NC)cc1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
N(C)S
<|startoftext|><L>C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)N<mask_1:2>1<mask_1:2>
4
33
2
C)cc
2
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)N)s1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
)s
<|startoftext|><L><mask_1:3>C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1<mask_1:3>
0
0
3
3
C=CC/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
C=C
<|startoftext|><L>C/C=C/C=C/C(=O)NCc1c<mask_1:1>S(=O)(=O)NC)cc1<mask_1:1>
3
20
1
cc(
1
C/C=C/C=C/C(=O)NCc1c(S(=O)(=O)NC)cc1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
(
<|startoftext|><L>C/C=C/C=C/C(<mask_1:5>Cc1ccc(S(=O)(=O)NC)cc1<mask_1:5>
4
12
5
=O)N
5
C/C=C/C=C/C(=O)NCCc1ccc(S(=O)(=O)NC)cc1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
=O)NC
<|startoftext|><L>C/C=C/C=C/<mask_1:4>(=O)NCc1ccc(S(=O)(=O)NC)cc1<mask_1:4>
1
10
4
C
4
C/C=C/C=C/CCCC(=O)NCc1ccc(S(=O)(=O)NC)cc1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1
CCCC
<|startoftext|><L>COC(=O)[C@@H]<mask_1:3>C@@H]1NC(=O)c1cc(C(C)=O)cn1C<mask_1:3>
7
13
3
1CCCCC[
3
COC(=O)[C@@H]1C[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
1C[
<|startoftext|><L>COC(=O)[C@@<mask_1:5>C[C@@H]1NC(=O)c1cc(C(C)=O)cn1C<mask_1:5>
7
11
5
H]1CCCC
5
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
H]1CC
<|startoftext|><L>COC(=O)[C@@H]1CCCCC[C@@H]1N<mask_1:7>C(=O)c1cc(C(C)=O)cn1C<mask_1:7>
0
27
7
7
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CNC(=O)c1cc(C(C)=O)cn1C
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
C(=O)CN
<|startoftext|><L>COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)<mask_1:5>)cn1C<mask_1:5>
2
41
5
=O
5
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)(C)OC)cn1C
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
(C)OC
<|startoftext|><L>COC(=O)[C@@H]1<mask_1:4>CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C<mask_1:4>
0
14
4
4
COC(=O)[C@@H]1CCCCCCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
CCCC
<|startoftext|><L>COC(=O)[C@@H]1CCCCC[C@@H]1N<mask_1:6>(=O)c1cc(C(C)=O)cn1C<mask_1:6>
1
27
6
C
6
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)C(=O)c1cc(C(C)=O)cn1C
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
C(=O)C
<|startoftext|><L>COC(=O)[C@@H]1CCCCC<mask_1:6>]1NC(=O)c1cc(C(C)=O)cn1C<mask_1:6>
5
19
6
[C@@H
5
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
[C@@H
<|startoftext|><L>COC(=O)[C@@H]1CC<mask_1:3>CC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C<mask_1:3>
1
16
3
C
3
COC(=O)[C@@H]1CC(C)CC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
(C)
<|startoftext|><L>COC(=O)[C@@H]1CCCC<mask_1:1>C[C@@H]1NC(=O)c1cc(C(C)=O)cn1C<mask_1:1>
0
18
1
1
COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
C
<|startoftext|><L>COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O<mask_1:7>C(C)=O)cn1C<mask_1:7>
6
31
7
)c1cc(
7
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(NC(C)=O)cn1C
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C
)c1cc(N