prompt
stringlengths 46
212
| first_mask_count
int64 0
16
| first_start_index
int64 0
146
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 9
184
| original_smiles
stringlengths 9
175
| generated_tokens
stringlengths 0
18
|
|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>Cc1n<mask_1:5>cn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1<mask_1:5>
| 1
| 4
| 5
|
c
| 5
|
Cc1nc(Cl)cn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
c(Cl)
|
<|startoftext|><L>Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1<mask_1:1>1CCOCC1<mask_1:1>
| 2
| 31
| 1
|
NC
| 1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1N1CCOCC1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
N
|
<|startoftext|><L>Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]<mask_1:4>OCC1<mask_1:4>
| 6
| 30
| 4
|
1NC1CC
| 4
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H](O)COCC1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
(O)C
|
<|startoftext|><L>Cc1nccn1CCCC(<mask_1:4>C@H]1CC[C@H]1NC1CCOCC1<mask_1:4>
| 5
| 13
| 4
|
=O)N[
| 4
|
Cc1nccn1CCCC(=O)[C@H]1CC[C@H]1NC1CCOCC1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
=O)[
|
<|startoftext|><L>C<mask_1:4>c1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1<mask_1:4>
| 0
| 1
| 4
| 4
|
CC(C)c1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
C(C)
|
|
<|startoftext|><L>C<mask_1:1>c1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1<mask_1:1>
| 0
| 1
| 1
| 1
|
CCc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
C
|
|
<|startoftext|><L>Cc1nccn1CCCC(=O)N[C@H]1CC[C<mask_1:2>C1CCOCC1<mask_1:2>
| 5
| 27
| 2
|
@H]1N
| 2
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C]1C1CCOCC1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
]1
|
<|startoftext|><L>Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1<mask_1:4>C1CCOCC1<mask_1:4>
| 1
| 31
| 4
|
N
| 4
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1N(C)C1CCOCC1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
N(C)
|
<|startoftext|><L>Cc1nccn1CCCC(=<mask_1:6>)N[C@H]1CC[C@H]1NC1CCOCC1<mask_1:6>
| 1
| 14
| 6
|
O
| 6
|
Cc1nccn1CCCC(=O)C(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
O)C(=O
|
<|startoftext|><L>Cc1nccn1CCC<mask_1:1>N[C@H]1CC[C@H]1NC1CCOCC1<mask_1:1>
| 5
| 11
| 1
|
C(=O)
| 1
|
Cc1nccn1CCCCN[C@H]1CC[C@H]1NC1CCOCC1
|
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
|
C
|
<|startoftext|><L>O=S(=O)(N[C@@H]1CC<mask_1:6>c2ccccc2)C1)C1CC1<mask_1:6>
| 5
| 18
| 6
|
CN(CC
| 6
|
O=S(=O)(N[C@@H]1CCN(CCCOc2ccccc2)C1)C1CC1
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
N(CCCO
|
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(<mask_1:6>CCc2ccccc2)C1)C1CC1<mask_1:6>
| 0
| 21
| 6
| 6
|
O=S(=O)(N[C@@H]1CCCN(C(=S)NCCc2ccccc2)C1)C1CC1
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
C(=S)N
|
|
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)<mask_1:6>CC1<mask_1:6>
| 5
| 32
| 6
|
C1)C1
| 6
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CCC1
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
C1)C1C
|
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1<mask_1:3>1<mask_1:3>
| 2
| 37
| 3
|
CC
| 3
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CCC1
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
CCC
|
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(CC<mask_1:5>ccccc2)C1)C1CC1<mask_1:5>
| 2
| 23
| 5
|
c2
| 5
|
O=S(=O)(N[C@@H]1CCCN(CCCSCc2ccccc2)C1)C1CC1
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
CSCc2
|
<|startoftext|><L>O=S(=O)(N[C@@H]1CCC<mask_1:1>Cc2ccccc2)C1)C1CC1<mask_1:1>
| 3
| 19
| 1
|
N(C
| 1
|
O=S(=O)(N[C@@H]1CCC(Cc2ccccc2)C1)C1CC1
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
(
|
<|startoftext|><L>O=S(=O)(N[<mask_1:4>1CCCN(CCc2ccccc2)C1)C1CC1<mask_1:4>
| 5
| 10
| 4
|
C@@H]
| 4
|
O=S(=O)(N[C@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
C@H]
|
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1<mask_1:2>)C1CC1<mask_1:2>
| 0
| 34
| 2
| 2
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1=O)C1CC1
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
=O
|
|
<|startoftext|><L>O=S(=O)(N[C@@H<mask_1:5>(CCc2ccccc2)C1)C1CC1<mask_1:5>
| 6
| 14
| 5
|
]1CCCN
| 5
|
O=S(=O)(N[C@@H]1CCN(CCc2ccccc2)C1)C1CC1
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
]1CCN
|
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(C<mask_1:5>ccccc2)C1)C1CC1<mask_1:5>
| 3
| 22
| 5
|
Cc2
| 5
|
O=S(=O)(N[C@@H]1CCCN(CCCOc2ccccc2)C1)C1CC1
|
O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1
|
CCOc2
|
<|startoftext|><L>Cc1ccc(B<mask_1:1>c(F)c1F<mask_1:1>
| 2
| 8
| 1
|
r)
| 1
|
Cc1ccc(B)c(F)c1F
|
Cc1ccc(Br)c(F)c1F
|
)
|
<|startoftext|><L>Cc1ccc(Br)c<mask_1:2>F)c1F<mask_1:2>
| 1
| 11
| 2
|
(
| 2
|
Cc1ccc(Br)c(CF)c1F
|
Cc1ccc(Br)c(F)c1F
|
(C
|
<|startoftext|><L><mask_1:2>c1ccc(Br)c(F)c1F<mask_1:2>
| 1
| 0
| 2
|
C
| 2
|
Clc1ccc(Br)c(F)c1F
|
Cc1ccc(Br)c(F)c1F
|
Cl
|
<|startoftext|><L>C<mask_1:2>c1ccc(Br)c(F)c1F<mask_1:2>
| 0
| 1
| 2
| 2
|
CNCc1ccc(Br)c(F)c1F
|
Cc1ccc(Br)c(F)c1F
|
NC
|
|
<|startoftext|><L><mask_1:2>Cc1ccc(Br)c(F)c1F<mask_1:2>
| 0
| 0
| 2
| 2
|
N#Cc1ccc(Br)c(F)c1F
|
Cc1ccc(Br)c(F)c1F
|
N#
|
|
<|startoftext|><L><mask_1:1>1ccc(Br)c(F)c1F<mask_1:1>
| 2
| 0
| 1
|
Cc
| 1
|
c1ccc(Br)c(F)c1F
|
Cc1ccc(Br)c(F)c1F
|
c
|
<|startoftext|><L><mask_1:2>c1ccc(Br)c(F)c1F<mask_1:2>
| 1
| 0
| 2
|
C
| 2
|
COc1ccc(Br)c(F)c1F
|
Cc1ccc(Br)c(F)c1F
|
CO
|
<|startoftext|><L>Cc1ccc(Br)c(<mask_1:1>F)c1F<mask_1:1>
| 0
| 12
| 1
| 1
|
Cc1ccc(Br)c(CF)c1F
|
Cc1ccc(Br)c(F)c1F
|
C
|
|
<|startoftext|><L><mask_1:1>1ccc(Br)c(F)c1F<mask_1:1>
| 2
| 0
| 1
|
Cc
| 1
|
c1ccc(Br)c(F)c1F
|
Cc1ccc(Br)c(F)c1F
|
c
|
<|startoftext|><L>Cc1ccc(Br<mask_1:1>(F)c1F<mask_1:1>
| 2
| 9
| 1
|
)c
| 1
|
Cc1ccc(Br)(F)c1F
|
Cc1ccc(Br)c(F)c1F
|
)
|
<|startoftext|><L>COc1ccc(CN<mask_1:8>O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:8>
| 3
| 10
| 8
|
C(=
| 8
|
COc1ccc(CNC(=O)C(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
C(=O)C(=
|
<|startoftext|><L>COc1cc<mask_1:6>NC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:6>
| 3
| 6
| 6
|
c(C
| 6
|
COc1ccc(OCCCNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
c(OCCC
|
<|startoftext|><L>COc1cc<mask_1:8>NC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:8>
| 3
| 6
| 8
|
c(C
| 8
|
COc1ccc(/C=N/CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
c(/C=N/C
|
<|startoftext|><L>COc1ccc(CNC(=O)[C@H]<mask_1:1>Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:1>
| 7
| 20
| 1
|
(C)SC2=
| 1
|
COc1ccc(CNC(=O)[C@H]2Nc3ccccc3[C@@H]3CC=NN23)cc1
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
2
|
<|startoftext|><L>C<mask_1:5>(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:5>
| 6
| 1
| 5
|
Oc1ccc
| 5
|
Cc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
c1ccc
|
<|startoftext|><L>COc1ccc(CNC(=O)[C@H]<mask_1:4>)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:4>
| 2
| 20
| 4
|
(C
| 4
|
COc1ccc(CNC(=O)[C@H](CSC)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
(CSC
|
<|startoftext|><L>COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3<mask_1:5>NN23)cc1<mask_1:5>
| 3
| 43
| 5
|
CC=
| 5
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=C=NN23)cc1
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
CC=C=
|
<|startoftext|><L>COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc<mask_1:7>[C@@H]3CC=NN23)cc1<mask_1:7>
| 1
| 35
| 7
|
3
| 7
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3C(=O)C[C@@H]3CC=NN23)cc1
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
3C(=O)C
|
<|startoftext|><L>COc1ccc(CNC(=O)[C@H](C)SC2=Nc3cccc<mask_1:8>@H]3CC=NN23)cc1<mask_1:8>
| 5
| 34
| 8
|
c3[C@
| 8
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3C=C[C@@H]3CC=NN23)cc1
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
c3C=C[C@
|
<|startoftext|><L>COc1ccc(<mask_1:2>CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:2>
| 0
| 8
| 2
| 2
|
COc1ccc(OCCNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1
|
OC
|
|
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)<mask_1:2>CC(=O)N3)C2<mask_1:2>
| 1
| 34
| 2
|
C
| 2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)OCCC(=O)N3)C2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
OC
|
<|startoftext|><L>Cn1ncc2c1CCCN(S(<mask_1:5>=O)c1ccc3c(c1)CCC(=O)N3)C2<mask_1:5>
| 4
| 16
| 5
|
=O)(
| 5
|
Cn1ncc2c1CCCN(S(=O)(C=O)c1ccc3c(c1)CCC(=O)N3)C2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
=O)(C
|
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=<mask_1:3>c1ccc3c(c1)CCC(=O)N3)C2<mask_1:3>
| 2
| 21
| 3
|
O)
| 3
|
Cn1ncc2c1CCCN(S(=O)(=O)Cc1ccc3c(c1)CCC(=O)N3)C2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
O)C
|
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(<mask_1:5>(=O)N3)C2<mask_1:5>
| 6
| 31
| 5
|
c1)CCC
| 5
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3)C2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
c1)CC
|
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)C<mask_1:5>C(=O)N3)C2<mask_1:5>
| 1
| 35
| 5
|
C
| 5
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)C(=O)NC(=O)N3)C2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
(=O)N
|
<|startoftext|><L>Cn1ncc2c<mask_1:2>CN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2<mask_1:2>
| 3
| 8
| 2
|
1CC
| 2
|
Cn1ncc2c1CCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
1C
|
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CC<mask_1:2>)N3)C2<mask_1:2>
| 4
| 36
| 2
|
C(=O
| 2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CC(O)N3)C2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
(O
|
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)<mask_1:3>c1ccc3c(c1)CCC(=O)N3)C2<mask_1:3>
| 0
| 23
| 3
| 3
|
Cn1ncc2c1CCCN(S(=O)(=O)CCNc1ccc3c(c1)CCC(=O)N3)C2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
CCN
|
|
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)<mask_1:5>C(=O)N3)C2<mask_1:5>
| 2
| 34
| 5
|
CC
| 5
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)C(=O)C(=O)N3)C2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
C(=O)
|
<|startoftext|><L>Cn1ncc2c1CCC<mask_1:1>N(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2<mask_1:1>
| 0
| 12
| 1
| 1
|
Cn1ncc2c1CCCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2
|
C
|
|
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H<mask_1:5>H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:5>
| 8
| 32
| 5
|
]4C=C[C@
| 5
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
]4[C@
|
<|startoftext|><L>O=C(O)c1cccc<mask_1:6>)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:6>
| 7
| 12
| 6
|
(N2C(=O
| 7
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
(N2C(=O
|
<|startoftext|><L>O=C(O<mask_1:6>cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:6>
| 3
| 5
| 6
|
)c1
| 6
|
O=C(O)CCOc1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
)CCOc1
|
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C<mask_1:1>[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:1>
| 0
| 37
| 1
| 1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=CC[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
C
|
|
<|startoftext|><L>O=C(O)c1<mask_1:7>2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:7>
| 6
| 8
| 7
|
cccc(N
| 7
|
O=C(O)c1cccc(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
cccc(CN
|
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45<mask_1:6>[C@@H]3C2=O)c1<mask_1:6>
| 1
| 58
| 6
|
)
| 6
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H][C@@H]3C2=O)c1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
)[C@H]
|
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]3<mask_1:5>C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:5>
| 1
| 27
| 5
|
[
| 5
|
O=C(O)c1cccc(N2C(=O)[C@@H]3C=CC[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
C=CC[
|
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C<mask_1:8>H]45)[C@@H]3C2=O)c1<mask_1:8>
| 9
| 45
| 8
|
@@H]5C[C@
| 8
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
@H]5C[C@
|
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]<mask_1:3>@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:3>
| 4
| 26
| 3
|
3[C@
| 3
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
3[C
|
<|startoftext|><L>O=C(O)c1cc<mask_1:6>2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:6>
| 4
| 10
| 6
|
cc(N
| 6
|
O=C(O)c1cccc(NCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1
|
cc(NCN
|
<|startoftext|><L>O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F<mask_1:1>1<mask_1:1>
| 3
| 51
| 1
|
)cc
| 1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
)
|
<|startoftext|><L>O=C(<mask_1:7>1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:7>
| 3
| 4
| 7
|
CSc
| 7
|
O=C(C(=O)Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
C(=O)Nc
|
<|startoftext|><L>O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1<mask_1:2>F)cc1<mask_1:2>
| 4
| 46
| 2
|
ccc(
| 2
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1c(F)cc1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
c(
|
<|startoftext|><L>O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F<mask_1:8>CC2)cs1)Nc1ccc(F)cc1<mask_1:8>
| 5
| 30
| 8
|
)cc3)
| 8
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cs1)Nc1ccc(F)cc1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
)c(F)c3)
|
<|startoftext|><L>O=C(<mask_1:6>c1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:6>
| 2
| 4
| 6
|
CS
| 6
|
O=C(/C=C/Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
/C=C/N
|
<|startoftext|><L>O=C(CSc1nc(<mask_1:3>CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:3>
| 8
| 11
| 3
|
CC(=O)N2
| 3
|
O=C(CSc1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
CN2
|
<|startoftext|><L>O=C(CSc1nc(<mask_1:4>)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:4>
| 5
| 11
| 4
|
CC(=O
| 4
|
O=C(CSc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
C(=O
|
<|startoftext|><L>O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc<mask_1:5>cc1<mask_1:5>
| 3
| 49
| 5
|
(F)
| 5
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(C#N)cc1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
(C#N)
|
<|startoftext|><L><mask_1:8>1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:8>
| 7
| 0
| 8
|
O=C(CSc
| 8
|
O=C(CSCc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
O=C(CSCc
|
<|startoftext|><L>O=C(CSc1nc(CC(=O<mask_1:3>(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:3>
| 6
| 16
| 3
|
)N2CCN
| 3
|
O=C(CSc1nc(CC(=O)C2(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1
|
)C2
|
<|startoftext|><L>Fc1ccc(C<mask_1:3>(c3nnc(-c4cnccn4)o3)CC2)cc1<mask_1:3>
| 5
| 8
| 3
|
N2CCC
| 3
|
Fc1ccc(C2CN(c3nnc(-c4cnccn4)o3)CC2)cc1
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
2CN
|
<|startoftext|><L>Fc1ccc(C<mask_1:2>C(c3nnc(-c4cnccn4)o3)CC2)cc1<mask_1:2>
| 4
| 8
| 2
|
N2CC
| 2
|
Fc1ccc(C2CC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
2C
|
<|startoftext|><L><mask_1:4>c1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1<mask_1:4>
| 1
| 0
| 4
|
F
| 4
|
N#CCc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
N#CC
|
<|startoftext|><L>Fc1ccc(CN2CCC(c3nnc(<mask_1:5>c4cnccn4)o3)CC2)cc1<mask_1:5>
| 1
| 20
| 5
|
-
| 5
|
Fc1ccc(CN2CCC(c3nnc(CN(C)c4cnccn4)o3)CC2)cc1
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
CN(C)
|
<|startoftext|><L>Fc1ccc(CN2CCC(<mask_1:6>(-c4cnccn4)o3)CC2)cc1<mask_1:6>
| 5
| 14
| 6
|
c3nnc
| 6
|
Fc1ccc(CN2CCC(Cc3nnc(-c4cnccn4)o3)CC2)cc1
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
Cc3nnc
|
<|startoftext|><L>Fc1ccc(CN2CCC(<mask_1:4>(-c4cnccn4)o3)CC2)cc1<mask_1:4>
| 5
| 14
| 4
|
c3nnc
| 5
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
c3nnc
|
<|startoftext|><L>Fc1ccc(CN2CCC(c3nnc(-<mask_1:4>cn4)o3)CC2)cc1<mask_1:4>
| 5
| 21
| 4
|
c4cnc
| 4
|
Fc1ccc(CN2CCC(c3nnc(-c4cscn4)o3)CC2)cc1
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
c4cs
|
<|startoftext|><L>Fc1ccc(CN2CCC(c3n<mask_1:5>c4cnccn4)o3)CC2)cc1<mask_1:5>
| 4
| 17
| 5
|
nc(-
| 5
|
Fc1ccc(CN2CCC(c3nnc(CSc4cnccn4)o3)CC2)cc1
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
nc(CS
|
<|startoftext|><L>Fc1<mask_1:2>N2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1<mask_1:2>
| 5
| 3
| 2
|
ccc(C
| 2
|
Fc1c(N2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
c(
|
<|startoftext|><L>Fc1ccc(CN2CCC<mask_1:5>c3nnc(-c4cnccn4)o3)CC2)cc1<mask_1:5>
| 1
| 13
| 5
|
(
| 5
|
Fc1ccc(CN2CCC(O)(Cc3nnc(-c4cnccn4)o3)CC2)cc1
|
Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1
|
(O)(C
|
<|startoftext|><L>COc1cc<mask_1:6>cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:6>
| 4
| 6
| 6
|
c(C)
| 6
|
COc1cc(C#N)ccc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
(C#N)c
|
<|startoftext|><L>COc1c<mask_1:6>)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:6>
| 4
| 5
| 6
|
cc(C
| 6
|
COc1ccc(C#N)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
cc(C#N
|
<|startoftext|><L>COc1ccc(C)cc1NC<mask_1:4>=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:4>
| 1
| 15
| 4
|
(
| 4
|
COc1ccc(C)cc1NCCNC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
CNC(
|
<|startoftext|><L>COc1ccc(C)cc1NC(=O)C<mask_1:2>Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:2>
| 6
| 20
| 2
|
NC(=O)
| 2
|
COc1ccc(C)cc1NC(=O)CCCCn1cnc2c1c(=O)n(C)c(=O)n2C
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
CC
|
<|startoftext|><L>COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(<mask_1:1>)n2C<mask_1:1>
| 6
| 42
| 1
|
C)c(=O
| 1
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)n2C
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
C
|
<|startoftext|><L><mask_1:5>c(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:5>
| 6
| 0
| 5
|
COc1cc
| 5
|
Cc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
Cc1cc
|
<|startoftext|><L>COc1ccc(C)cc1NC(=O)CNC(=O)Cn<mask_1:5>c2c1c(=O)n(C)c(=O)n2C<mask_1:5>
| 3
| 28
| 5
|
1cn
| 5
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1[nH]c2c1c(=O)n(C)c(=O)n2C
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
1[nH]
|
<|startoftext|><L>COc1ccc(C)cc1NC(<mask_1:7>CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:7>
| 3
| 16
| 7
|
=O)
| 7
|
COc1ccc(C)cc1NC(=O)CCCCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
=O)CCCC
|
<|startoftext|><L>COc1ccc(C)cc1NC(=O<mask_1:2>C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:2>
| 3
| 18
| 2
|
)CN
| 2
|
COc1ccc(C)cc1NC(=O)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
)N
|
<|startoftext|><L>COc1ccc(C)cc<mask_1:5>C(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:5>
| 2
| 12
| 5
|
1N
| 5
|
COc1ccc(C)cc1OCCNC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
1OCCN
|
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2<mask_1:3>H](C1)C2(F)F<mask_1:3>
| 4
| 37
| 3
|
[C@@
| 3
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@H](C1)C2(F)F
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
[C@
|
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1<mask_1:4>C@@H]2[C@@H](C1)C2(F)F<mask_1:4>
| 5
| 26
| 4
|
)C1C[
| 4
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)N1[C@@H]2[C@@H](C1)C2(F)F
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
)N1[
|
<|startoftext|><L>O=S(=O)(NCC1(<mask_1:7>c2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F<mask_1:7>
| 1
| 13
| 7
|
C
| 7
|
O=S(=O)(NCC1(O)CCN(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
O)CCN(C
|
<|startoftext|><L>O<mask_1:7>S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F<mask_1:7>
| 1
| 1
| 7
|
=
| 7
|
O=C(O)CCS(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
=C(O)CC
|
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)<mask_1:5>2(F)F<mask_1:5>
| 1
| 47
| 5
|
C
| 5
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)[C@@]2(F)F
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
[C@@]
|
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C<mask_1:1>H]2[C@@H](C1)C2(F)F<mask_1:1>
| 2
| 32
| 1
|
@@
| 1
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@H]2[C@@H](C1)C2(F)F
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
@
|
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccc<mask_1:7>C1)C1C[C@@H]2[C@@H](C1)C2(F)F<mask_1:7>
| 5
| 19
| 7
|
cc2)C
| 7
|
O=S(=O)(NCC1(Cc2ccccc2)CCCC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
cc2)CCC
|
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@<mask_1:7>C@@H](C1)C2(F)F<mask_1:7>
| 5
| 33
| 7
|
@H]2[
| 7
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2CC[C@@H](C1)C2(F)F
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
@H]2CC[
|
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C<mask_1:6>]2[C@@H](C1)C2(F)F<mask_1:6>
| 7
| 28
| 6
|
1C[C@@H
| 6
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@H]2[C@@H](C1)C2(F)F
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
1C[C@H
|
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1<mask_1:3>F<mask_1:3>
| 6
| 46
| 3
|
)C2(F)
| 3
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2F
|
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F
|
)C2
|
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