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>O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(<mask_1:5>)c(O)ccc12<mask_1:5>
1
31
5
O
5
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(CN(C))c(O)ccc12
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
CN(C)
<|startoftext|><L>O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)<mask_1:4>)ccc12<mask_1:4>
3
33
4
c(O
4
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(Cl)ccc12
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
c(Cl
<|startoftext|><L>O=c1c(<mask_1:6>2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12<mask_1:6>
2
6
6
-c
6
O=c1c(/C=N/c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
/C=N/c
<|startoftext|><L>O=c1c(-c2ccc3c(c2)OCCCO3)coc2c<mask_1:5>(O)ccc12<mask_1:5>
4
30
5
(O)c
5
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(CN)c(O)ccc12
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
(CN)c
<|startoftext|><L>O=c1c(-c2ccc3c(c2)OCCCO3)coc2<mask_1:1>c(O)ccc12<mask_1:1>
4
29
1
c(O)
1
O=c1c(-c2ccc3c(c2)OCCCO3)coc2cc(O)ccc12
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
c
<|startoftext|><L>O=c1c(-c2ccc3c(c2)OCC<mask_1:5>c2c(O)c(O)ccc12<mask_1:5>
6
21
5
CO3)co
5
O=c1c(-c2ccc3c(c2)OCCO3)coc2c(O)c(O)ccc12
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
O3)co
<|startoftext|><L>O=c1c(-c2ccc3c(<mask_1:5>CCCO3)coc2c(O)c(O)ccc12<mask_1:5>
4
15
5
c2)O
5
O=c1c(-c2ccc3c(c2)OCCCCO3)coc2c(O)c(O)ccc12
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
c2)OC
<|startoftext|><L>O=c1c(-c2ccc3c(c2)OC<mask_1:2>)coc2c(O)c(O)ccc12<mask_1:2>
4
20
2
CCO3
2
O=c1c(-c2ccc3c(c2)OCO3)coc2c(O)c(O)ccc12
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
O3
<|startoftext|><L>O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(<mask_1:5>O)c(O)ccc12<mask_1:5>
0
31
5
5
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(CN(C)O)c(O)ccc12
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
CN(C)
<|startoftext|><L>O=c1c(-c2ccc3c(<mask_1:3>CCO3)coc2c(O)c(O)ccc12<mask_1:3>
5
15
3
c2)OC
3
O=c1c(-c2ccc3c(c2)CCO3)coc2c(O)c(O)ccc12
O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12
c2)
<|startoftext|><L>C=C(C)C<mask_1:5>Sc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4<mask_1:5>
0
7
5
5
C=C(C)C(=O)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
(=O)C
<|startoftext|><L>C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C<mask_1:4>@H](C)CC4<mask_1:4>
3
35
4
[C@
4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)CC[C@@H](C)CC4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
C[C@
<|startoftext|><L>C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@<mask_1:7>C)CC4<mask_1:7>
4
38
7
@H](
7
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@](C)(CC)CC4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
@](C)(C
<|startoftext|><L>C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[<mask_1:5>C)CC4<mask_1:5>
6
36
5
C@@H](
5
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@H](C)CC4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
C@H](
<|startoftext|><L>C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C<mask_1:6>H](C)CC4<mask_1:6>
4
35
6
[C@@
5
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)CC[C@@H](C)CC4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
C[C@@
<|startoftext|><L>C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@<mask_1:5>CC4<mask_1:5>
6
38
5
@H](C)
5
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@H](C)CC4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
H](C)
<|startoftext|><L>C=C(C)C<mask_1:2>Sc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4<mask_1:2>
0
7
2
2
C=C(C)CCCSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
CC
<|startoftext|><L>C=C(C)CSc1nnc2n3n<mask_1:6>cnc3c3c4c(sc3n12)C[C@@H](C)CC4<mask_1:6>
0
17
6
6
C=C(C)CSc1nnc2n3nc(CC)ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
c(CC)n
<|startoftext|><L>C=C(C<mask_1:7>nc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4<mask_1:7>
6
5
7
)CSc1n
7
C=C(Cl)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
l)CSc1n
<|startoftext|><L>C=C(C)CSc1nnc2n<mask_1:7>ncnc3c3c4c(sc3n12)C[C@@H](C)CC4<mask_1:7>
1
15
7
3
7
C=C(C)CSc1nnc2n(C)cc3-ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
C=C(C)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4
(C)cc3-
<|startoftext|><L>CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)<mask_1:4>CC2)C3)n1<mask_1:4>
7
36
4
CC2=CCC
4
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C2CCCC2)C3)n1
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
C2CC
<|startoftext|><L>CSc1ncc<mask_1:3>-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1<mask_1:3>
2
7
3
c(
3
CSc1nccc(N-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
c(N
<|startoftext|><L>CSc1nccc(-c2cc(F)cc3c2O[C@H<mask_1:5>(CNC(=O)CC2=CCCCC2)C3)n1<mask_1:5>
1
27
5
]
5
CSc1nccc(-c2cc(F)cc3c2O[C@H](C)C(CNC(=O)CC2=CCCCC2)C3)n1
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
](C)C
<|startoftext|><L>CSc1nccc(-c2cc(F)<mask_1:6>3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1<mask_1:6>
2
17
6
cc
6
CSc1nccc(-c2cc(F)c(Cl)c3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
c(Cl)c
<|startoftext|><L>CSc1ncc<mask_1:3>c(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1<mask_1:3>
6
7
3
c(-c2c
3
CSc1ncc2c(c(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
2c(
<|startoftext|><L>CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)<mask_1:3>1<mask_1:3>
4
47
3
C3)n
4
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
C3)n
<|startoftext|><L>CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=<mask_1:5>O)CC2=CCCCC2)C3)n1<mask_1:5>
0
34
5
5
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C(=O)CC2=CCCCC2)C3)n1
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
O)C(=
<|startoftext|><L>CSc1nccc(-c2cc(F)cc3c2O[C@H](C<mask_1:2>CC2=CCCCC2)C3)n1<mask_1:2>
6
30
2
NC(=O)
2
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNCCC2=CCCCC2)C3)n1
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
NC
<|startoftext|><L>CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(<mask_1:5>=CCCCC2)C3)n1<mask_1:5>
6
33
5
=O)CC2
5
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C2=CCCCC2)C3)n1
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
=O)C2
<|startoftext|><L>CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2<mask_1:3>CCCCC2)C3)n1<mask_1:3>
1
39
3
=
3
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2(O)CCCCC2)C3)n1
CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2=CCCCC2)C3)n1
(O)
<|startoftext|><L>Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc<mask_1:5>2<mask_1:5>
1
37
5
1
5
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc1C(C)2
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
1C(C)
<|startoftext|><L>Cc1c(C(=O)NC(C)(C)C(=<mask_1:3>O)oc2c(Cl)cccc12<mask_1:3>
2
21
3
O)
3
Cc1c(C(=O)NC(C)(C)C(=O)CO)oc2c(Cl)cccc12
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
O)C
<|startoftext|><L>Cc1c(C(=O)NC(C)(<mask_1:4>C(=O)O)oc2c(Cl)cccc12<mask_1:4>
2
16
4
C)
4
Cc1c(C(=O)NC(C)(C)CCC(=O)O)oc2c(Cl)cccc12
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
C)CC
<|startoftext|><L>Cc1c<mask_1:4>=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12<mask_1:4>
3
4
4
(C(
4
Cc1c(CC(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
(CC(
<|startoftext|><L>Cc1c(C<mask_1:4>C(C)(C)C(=O)O)oc2c(Cl)cccc12<mask_1:4>
5
6
4
(=O)N
4
Cc1c(C(=O)C(C)(C)C(=O)O)oc2c(Cl)cccc12
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
(=O)
<|startoftext|><L>Cc1c(C(=O)<mask_1:3>C(C)(C)C(=O)O)oc2c(Cl)cccc12<mask_1:3>
1
10
3
N
3
Cc1c(C(=O)NCCC(C)(C)C(=O)O)oc2c(Cl)cccc12
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
NCC
<|startoftext|><L>Cc1<mask_1:4>(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12<mask_1:4>
3
3
4
c(C
4
Cc1c(CC(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
c(CC
<|startoftext|><L>Cc1c(C(=O)NC(C)(<mask_1:5>=O)O)oc2c(Cl)cccc12<mask_1:5>
4
16
5
C)C(
5
Cc1c(C(=O)NC(C)(C)CC(=O)O)oc2c(Cl)cccc12
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
C)CC(
<|startoftext|><L>Cc1c(C(=O)NC<mask_1:5>(C)C(=O)O)oc2c(Cl)cccc12<mask_1:5>
3
12
5
(C)
5
Cc1c(C(=O)NC[C@H](C)C(=O)O)oc2c(Cl)cccc12
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
[C@H]
<|startoftext|><L>Cc1c(C(=O)NC(C)<mask_1:1>C(=O)O)oc2c(Cl)cccc12<mask_1:1>
3
15
1
(C)
1
Cc1c(C(=O)NC(C)CC(=O)O)oc2c(Cl)cccc12
Cc1c(C(=O)NC(C)(C)C(=O)O)oc2c(Cl)cccc12
C
<|startoftext|><L>COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)O<mask_1:2>)CC3)n2)cc1OC<mask_1:2>
3
41
2
CO5
2
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OO5)CC3)n2)cc1OC
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
O5
<|startoftext|><L>COc1ccc(-c2noc(CCC(=O)N3C<mask_1:8>cc5c(c4)OCO5)CC3)n2)cc1OC<mask_1:8>
7
25
8
CN(Cc4c
8
COc1ccc(-c2noc(CCC(=O)N3CCC(COc4ccc5c(c4)OCO5)CC3)n2)cc1OC
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
CC(COc4c
<|startoftext|><L>COc1<mask_1:8>-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC<mask_1:8>
4
4
8
ccc(
8
COc1c(Cl)cc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
c(Cl)cc(
<|startoftext|><L>COc1c<mask_1:7>-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC<mask_1:7>
3
5
7
cc(
7
COc1c(OC)cc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
(OC)cc(
<|startoftext|><L>COc1ccc(-c2noc(CCC(=O)N3CCN(Cc<mask_1:1>c5c(c4)OCO5)CC3)n2)cc1OC<mask_1:1>
3
30
1
4cc
1
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4c5c(c4)OCO5)CC3)n2)cc1OC
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
4
<|startoftext|><L>COc1ccc(-c2noc(CCC(=O)N3CCN(C<mask_1:8>ccc5c(c4)OCO5)CC3)n2)cc1OC<mask_1:8>
2
29
8
c4
8
COc1ccc(-c2noc(CCC(=O)N3CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)n2)cc1OC
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
C(=O)Nc4
<|startoftext|><L>COc1ccc(-c2noc(CCC(=O)<mask_1:7>Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC<mask_1:7>
6
22
7
N3CCN(
7
COc1ccc(-c2noc(CCC(=O)N3CCN(CCc4ccc5c(c4)OCO5)CC3)n2)cc1OC
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
N3CCN(C
<|startoftext|><L>COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4<mask_1:6>5c(c4)OCO5)CC3)n2)cc1OC<mask_1:6>
3
31
6
ccc
6
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4cc(C)c5c(c4)OCO5)CC3)n2)cc1OC
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
cc(C)c
<|startoftext|><L>COc1ccc(-c<mask_1:7>CC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC<mask_1:7>
6
10
7
2noc(C
7
COc1ccc(-c2noc(CCCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
2noc(CC
<|startoftext|><L><mask_1:1>1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC<mask_1:1>
3
0
1
COc
1
c1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC
c
<|startoftext|><L>Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3cc<mask_1:6>c3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2<mask_1:6>
2
34
6
cc
6
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccc(Cl)cc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
c(Cl)c
<|startoftext|><L>Cc1c(C(=O)NN2<mask_1:5>[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2<mask_1:5>
6
13
5
C(=O)N
5
Cc1c(C(=O)NN2C(=O)[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
C(=O)
<|startoftext|><L>Cc1c(C(=O)NN2C(=O)N<mask_1:7>@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2<mask_1:7>
2
19
7
[C
7
Cc1c(C(=O)NN2C(=O)NC(=O)[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
C(=O)[C
<|startoftext|><L>Cc1c(C(=O)NN2C(=O<mask_1:5>)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2<mask_1:5>
0
17
5
5
Cc1c(C(=O)NN2C(=O)C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
)C(=O
<|startoftext|><L>Cc1c(C(=O)NN2C(=<mask_1:7>(C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2<mask_1:7>
8
16
7
O)N[C@@]
7
Cc1c(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
O)N[C@]
<|startoftext|><L>Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3<mask_1:9>nH]c2c1C(=O)CC(C)(C)C2<mask_1:9>
7
38
9
)C2=O)[
9
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)nn[nH]c2c1C(=O)CC(C)(C)C2
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
)C2=O)nn[
<|startoftext|><L>Cc1c(C(=O)NN2C(=O)<mask_1:1>N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2<mask_1:1>
0
18
1
1
Cc1c(C(=O)NN2C(=O)CN[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
C
<|startoftext|><L>Cc1c(C(=O)N<mask_1:10>N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2<mask_1:10>
7
11
10
N2C(=O)
10
Cc1c(C(=O)NCCN2C(=O)CN[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
CCN2C(=O)C
<|startoftext|><L>Cc<mask_1:4>N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2<mask_1:4>
9
2
4
1c(C(=O)N
4
Cc1c(CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
1c(C
<|startoftext|><L><mask_1:9>c1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2<mask_1:9>
1
0
9
C
9
CCOC(=O)Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
Cc1c(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)[nH]c2c1C(=O)CC(C)(C)C2
CCOC(=O)C
<|startoftext|><L>Cc1cc(C(=O<mask_1:6>H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1<mask_1:6>
5
10
6
)N[C@
6
Cc1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
)N[C@@
<|startoftext|><L>Cc1cc(C(=O)N[C@H]2CC<mask_1:3>CC3)C2)c2c(C)n[nH]c2n1<mask_1:3>
7
20
3
OC3(CCC
3
Cc1cc(C(=O)N[C@H]2CC3(CCC3)C2)c2c(C)n[nH]c2n1
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
3(C
<|startoftext|><L>Cc1cc(C(=O)N<mask_1:3>[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1<mask_1:3>
0
12
3
3
Cc1cc(C(=O)N(C)[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
(C)
<|startoftext|><L>C<mask_1:3>c1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1<mask_1:3>
0
1
3
3
COCCc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
OCC
<|startoftext|><L>Cc1cc(C(=O)N[C@H]<mask_1:4>2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1<mask_1:4>
0
17
4
4
Cc1cc(C(=O)N[C@H](C)N2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
(C)N
<|startoftext|><L>Cc1cc(C(<mask_1:4>C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1<mask_1:4>
5
8
4
=O)N[
4
Cc1cc(C(=O)[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
=O)[
<|startoftext|><L>Cc1cc(C(=O)N<mask_1:4>@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1<mask_1:4>
2
12
4
[C
4
Cc1cc(C(=O)NC[C@@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
C[C@
<|startoftext|><L>Cc1cc(C(=O)N[C@H]2CCOC<mask_1:6>CCCC3)C2)c2c(C)n[nH]c2n1<mask_1:6>
3
22
6
3(C
6
Cc1cc(C(=O)N[C@H]2CCOC3(CCOCCCCC3)C2)c2c(C)n[nH]c2n1
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
3(CCOC
<|startoftext|><L>Cc1cc(C(=O)N[C@<mask_1:1>2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1<mask_1:1>
2
15
1
H]
1
Cc1cc(C(=O)N[C@]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
]
<|startoftext|><L>Cc1cc(C(=O)N[C@H]2CCOC3(<mask_1:7>3)C2)c2c(C)n[nH]c2n1<mask_1:7>
5
24
7
CCCCC
6
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCCC3)C2)c2c(C)n[nH]c2n1
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2c(C)n[nH]c2n1
CCCCCC
<|startoftext|><L>Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)<mask_1:4>1<mask_1:4>
3
42
4
C)s
4
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)nc1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
C)nc
<|startoftext|><L>C<mask_1:2>1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1<mask_1:2>
1
1
2
c
2
CCc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
Cc
<|startoftext|><L>C<mask_1:5>[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1<mask_1:5>
3
1
5
c1n
5
CCCc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
CCc1n
<|startoftext|><L><mask_1:4>n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1<mask_1:4>
3
0
4
Cc1
4
CCc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
CCc1
<|startoftext|><L>Cc1n[<mask_1:5>H]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1<mask_1:5>
1
5
5
n
5
Cc1n[nH][nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
nH][n
<|startoftext|><L>Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=<mask_1:6>cnc(CC(C)C)s1<mask_1:6>
4
29
6
O)c1
6
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1cnc(CC(C)C)s1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
O)NCc1
<|startoftext|><L>Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc<mask_1:6>)C)s1<mask_1:6>
5
36
6
(CC(C
6
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CCN(C)C)s1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
(CCN(C
<|startoftext|><L>Cc1n<mask_1:2>]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1<mask_1:2>
3
4
2
[nH
3
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
[nH
<|startoftext|><L>Cc1n[nH]c(C)c1[C@@H]1CCCN1C<mask_1:1>c1cnc(CC(C)C)s1<mask_1:1>
4
27
1
(=O)
1
Cc1n[nH]c(C)c1[C@@H]1CCCN1CCc1cnc(CC(C)C)s1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
C
<|startoftext|><L>Cc1n[nH]c(C)c1[C@@H]1CCC<mask_1:5>=O)c1cnc(CC(C)C)s1<mask_1:5>
4
24
5
N1C(
5
Cc1n[nH]c(C)c1[C@@H]1CCCCN1C(=O)c1cnc(CC(C)C)s1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1
CN1C(
<|startoftext|><L>C[C@@H]1N(CCCn2cccn2)CC<mask_1:5>[C@@]12CCCN(Cc1ccccc1F)C2=O<mask_1:5>
1
23
5
C
5
C[C@@H]1N(CCCn2cccn2)CC(=O)N[C@@]12CCCN(Cc1ccccc1F)C2=O
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
(=O)N
<|startoftext|><L>C[C@@H]1N(CCCn2<mask_1:7>n2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O<mask_1:7>
3
15
7
ccc
7
C[C@@H]1N(CCCn2cc(CO)cn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
cc(CO)c
<|startoftext|><L>C[C@@H]1N(CCCn2cccn2)<mask_1:7>CCC[C@@]12CCCN(Cc1ccccc1F)C2=O<mask_1:7>
0
21
7
7
C[C@@H]1N(CCCn2cccn2)CC(=O)NCCC[C@@]12CCCN(Cc1ccccc1F)C2=O
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
CC(=O)N
<|startoftext|><L>C[C@@H]1N(C<mask_1:3>cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O<mask_1:3>
4
11
3
CCn2
3
C[C@@H]1N(Cc2ccccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
c2c
<|startoftext|><L>C[C@@H]1N(CCCn2cccn2)<mask_1:2>@@]12CCCN(Cc1ccccc1F)C2=O<mask_1:2>
5
21
2
CCC[C
2
C[C@@H]1N(CCCn2cccn2)[C@@]12CCCN(Cc1ccccc1F)C2=O
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
[C
<|startoftext|><L>C[C@@H]1N(CCCn2cc<mask_1:5>CCC[C@@]12CCCN(Cc1ccccc1F)C2=O<mask_1:5>
4
17
5
cn2)
5
C[C@@H]1N(CCCn2ccnc2)CCCC[C@@]12CCCN(Cc1ccccc1F)C2=O
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
nc2)C
<|startoftext|><L>C[C@@H]1N(CCCn2cccn2)CCC[C@@]<mask_1:2>CCN(Cc1ccccc1F)C2=O<mask_1:2>
3
29
2
12C
2
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCN(Cc1ccccc1F)C2=O
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
12
<|startoftext|><L>C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)<mask_1:2>2=O<mask_1:2>
1
47
2
C
2
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)CC2=O
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
CC
<|startoftext|><L>C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1cccc<mask_1:4>c1F)C2=O<mask_1:4>
0
43
4
4
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1cccc(Cl)c1F)C2=O
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
(Cl)
<|startoftext|><L>C[C@@H]1N(CCC<mask_1:5>ccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O<mask_1:5>
3
13
5
n2c
5
C[C@@H]1N(CCCCc2ccccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
C[C@@H]1N(CCCn2cccn2)CCC[C@@]12CCCN(Cc1ccccc1F)C2=O
Cc2cc
<|startoftext|><L>CCOc1ccc(CCC(=O)Nc2ccc<mask_1:7>=O)N[C@H](C)CC)cc1OCC<mask_1:7>
5
22
7
cc2C(
7
CCOc1ccc(CCC(=O)Nc2ccccc2SCC(=O)N[C@H](C)CC)cc1OCC
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
cc2SCC(
<|startoftext|><L>CCOc<mask_1:7>(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC<mask_1:7>
4
4
7
1ccc
7
CCOc1cc(C)c(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
1cc(C)c
<|startoftext|><L>CCOc1ccc(CC<mask_1:2>C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC<mask_1:2>
0
11
2
2
CCOc1ccc(CCCNC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
CN
<|startoftext|><L>CCOc<mask_1:4>C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC<mask_1:4>
7
4
4
1ccc(CC
4
CCOc1oc(C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
1oc(
<|startoftext|><L>CCOc1ccc<mask_1:3>=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC<mask_1:3>
5
8
3
(CCC(
3
CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
(C(
<|startoftext|><L>CCOc1ccc(CCC(=O)Nc2ccccc2C(=<mask_1:6>N[C@H](C)CC)cc1OCC<mask_1:6>
2
28
6
O)
6
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCCN[C@H](C)CC)cc1OCC
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
O)NCCC
<|startoftext|><L>CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C<mask_1:6>)CC)cc1OCC<mask_1:6>
0
38
6
6
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](CC(=O)O)CC)cc1OCC
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
C(=O)O
<|startoftext|><L>CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)<mask_1:5>C)cc1OCC<mask_1:5>
1
39
5
C
5
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC(C)C)cc1OCC
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
CC(C)
<|startoftext|><L><mask_1:7>1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC<mask_1:7>
4
0
7
CCOc
7
CC(=O)c1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
CC(=O)c
<|startoftext|><L>CCOc1ccc(CC<mask_1:7>c2ccccc2C(=O)N[C@H](C)CC)cc1OCC<mask_1:7>
6
11
7
C(=O)N
7
CCOc1ccc(CCNC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC
NC(=O)N