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>COC(=O)<mask_1:2>1cc(-c2ccc(Cl)cc2)nc2ccnn12<mask_1:2>
1
7
2
c
2
COC(=O)Nc1cc(-c2ccc(Cl)cc2)nc2ccnn12
COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
Nc
<|startoftext|><L>COC(=O)c1cc<mask_1:5>ccc(Cl)cc2)nc2ccnn12<mask_1:5>
4
11
5
(-c2
5
COC(=O)c1cc(-Nc2ccc(Cl)cc2)nc2ccnn12
COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
(-Nc2
<|startoftext|><L>COC(=O)c1cc(-c<mask_1:1>(Cl)cc2)nc2ccnn12<mask_1:1>
4
14
1
2ccc
1
COC(=O)c1cc(-c2(Cl)cc2)nc2ccnn12
COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
2
<|startoftext|><L>COC(<mask_1:5>O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12<mask_1:5>
1
4
5
=
5
COC(=O)C(O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
=O)C(
<|startoftext|><L>COC(=O)c1cc(-<mask_1:2>cc(Cl)cc2)nc2ccnn12<mask_1:2>
3
13
2
c2c
2
COC(=O)c1cc(-n2cc(Cl)cc2)nc2ccnn12
COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
n2
<|startoftext|><L>CO<mask_1:5>O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12<mask_1:5>
3
2
5
C(=
5
COCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
CNC(=
<|startoftext|><L>C<mask_1:2>=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12<mask_1:2>
3
1
2
OC(
2
CC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
C(
<|startoftext|><L>COC(=O)c1cc(-c2ccc(Cl)cc2<mask_1:5>2ccnn12<mask_1:5>
3
25
5
)nc
5
COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccnn12
COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
Cl)nc
<|startoftext|><L>COC(=O)c1cc(<mask_1:5>ccc(Cl)cc2)nc2ccnn12<mask_1:5>
3
12
5
-c2
5
COC(=O)c1cc(NCCc2ccc(Cl)cc2)nc2ccnn12
COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
NCCc2
<|startoftext|><L>COC(=O)c1cc(-c2cc<mask_1:3>Cl)cc2)nc2ccnn12<mask_1:3>
2
17
3
c(
3
COC(=O)c1cc(-c2ccc(CCl)cc2)nc2ccnn12
COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
c(C
<|startoftext|><L>COc1cc([C@H]2C(C(<mask_1:8>ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F<mask_1:8>
7
17
8
=O)NCc3
8
COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
=O)OCCc3
<|startoftext|><L>C<mask_1:8>([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F<mask_1:8>
5
1
8
Oc1cc
7
CCCOc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
CCOc1cc
<|startoftext|><L>COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)<mask_1:5>c1ccccc1F<mask_1:5>
6
46
5
ccc1OC
5
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1Oc1ccccc1F
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
ccc1O
<|startoftext|><L>COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3<mask_1:2>32)ccc1OCc1ccccc1F<mask_1:2>
4
39
2
ncnn
2
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3nn32)ccc1OCc1ccccc1F
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
nn
<|startoftext|><L>COc<mask_1:7>2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F<mask_1:7>
9
3
7
1cc([C@H]
7
COc1cc([C]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
1cc([C]
<|startoftext|><L>COc1cc([C@H]2C(C(=O)NCc3c<mask_1:5>cc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F<mask_1:5>
2
25
5
cc
5
COc1cc([C@H]2C(C(=O)NCc3ccc(F)cc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
cc(F)
<|startoftext|><L>COc1cc([C@H]2C(C(=<mask_1:6>Cc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F<mask_1:6>
3
18
6
O)N
6
COc1cc([C@H]2C(C(=O)OCCOCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
O)OCCO
<|startoftext|><L>C<mask_1:7>([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F<mask_1:7>
5
1
7
Oc1cc
7
CCCOc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
CCOc1cc
<|startoftext|><L>COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OC<mask_1:8>ccccc1F<mask_1:8>
2
52
8
c1
8
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCC(=O)Nc1ccccc1F
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
C(=O)Nc1
<|startoftext|><L>COc1cc([C@H]2C(C(=O)NCc<mask_1:9>ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F<mask_1:9>
1
23
9
3
10
COc1cc([C@H]2C(C(=O)NCc3ccccc3-c3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F
3ccccc3-c3
<|startoftext|><L>O=C1NC[C@@H]2<mask_1:7>CCCN2C(=O)c1cc(N2CCCCC2)ncn1<mask_1:7>
6
13
7
[C@H]1
7
O=C1NC[C@@H]2C[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
C[C@H]1
<|startoftext|><L>O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c<mask_1:6>2CCCCC2)ncn1<mask_1:6>
5
30
6
1cc(N
6
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(CN2CCCCC2)ncn1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
1cc(CN
<|startoftext|><L>O=C1NC[C<mask_1:2>2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1<mask_1:2>
4
8
2
@@H]
2
O=C1NC[CH]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
H]
<|startoftext|><L>O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N<mask_1:7>2)ncn1<mask_1:7>
6
35
7
2CCCCC
7
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCCC2)ncn1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
2CCCCCC
<|startoftext|><L>O=C1NC[C@@H]2[C@H]1<mask_1:2>CCN2C(=O)c1cc(N2CCCCC2)ncn1<mask_1:2>
1
19
2
C
2
O=C1NC[C@@H]2[C@H]1CCCCN2C(=O)c1cc(N2CCCCC2)ncn1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
CC
<|startoftext|><L>O=C1N<mask_1:3>2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1<mask_1:3>
7
5
3
C[C@@H]
3
O=C1NCCC2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
CCC
<|startoftext|><L>O=C1NC[C@@H]2[C@H]1CCCN<mask_1:1>c1cc(N2CCCCC2)ncn1<mask_1:1>
6
23
1
2C(=O)
1
O=C1NC[C@@H]2[C@H]1CCCN2c1cc(N2CCCCC2)ncn1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
2
<|startoftext|><L>O=<mask_1:7>C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1<mask_1:7>
5
2
7
C1NC[
7
O=C1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
C1CCCC[
<|startoftext|><L>O=C1NC[C@@H]2[C@H]1CCCN2<mask_1:2>(=O)c1cc(N2CCCCC2)ncn1<mask_1:2>
1
24
2
C
2
O=C1NC[C@@H]2[C@H]1CCCN2CC(=O)c1cc(N2CCCCC2)ncn1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
CC
<|startoftext|><L>O<mask_1:2>=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1<mask_1:2>
0
1
2
2
O=C=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1
=C
<|startoftext|><L>N#CCCN(C<mask_1:3>)C(=O)COC(=O)c1ccoc1<mask_1:3>
4
8
3
CC#N
3
N#CCCN(CCCO)C(=O)COC(=O)c1ccoc1
N#CCCN(CCC#N)C(=O)COC(=O)c1ccoc1
CCO
<|startoftext|><L>N#CCCN(CCC#N)C(=O)COC(=O)c1<mask_1:1>c1<mask_1:1>
3
27
1
cco
1
N#CCCN(CCC#N)C(=O)COC(=O)c1sc1
N#CCCN(CCC#N)C(=O)COC(=O)c1ccoc1
s
<|startoftext|><L>N#CCCN(CCC#N)C(=O)<mask_1:2>COC(=O)c1ccoc1<mask_1:2>
0
18
2
2
N#CCCN(CCC#N)C(=O)CCCOC(=O)c1ccoc1
N#CCCN(CCC#N)C(=O)COC(=O)c1ccoc1
CC
<|startoftext|><L>N#CCCN<mask_1:2>#N)C(=O)COC(=O)c1ccoc1<mask_1:2>
4
6
2
(CCC
2
N#CCCN(C#N)C(=O)COC(=O)c1ccoc1
N#CCCN(CCC#N)C(=O)COC(=O)c1ccoc1
(C
<|startoftext|><L>N#CCCN(<mask_1:4>CC#N)C(=O)COC(=O)c1ccoc1<mask_1:4>
1
7
4
C
4
N#CCCN(CCCCCC#N)C(=O)COC(=O)c1ccoc1
N#CCCN(CCC#N)C(=O)COC(=O)c1ccoc1
CCCC
<|startoftext|><L>N#CCCN(C<mask_1:3>C#N)C(=O)COC(=O)c1ccoc1<mask_1:3>
1
8
3
C
3
N#CCCN(CCCCC#N)C(=O)COC(=O)c1ccoc1
N#CCCN(CCC#N)C(=O)COC(=O)c1ccoc1
CCC
<|startoftext|><L>N#CCCN(CCC#N)<mask_1:3>C(=O)COC(=O)c1ccoc1<mask_1:3>
0
13
3
3
N#CCCN(CCC#N)CCOC(=O)COC(=O)c1ccoc1
N#CCCN(CCC#N)C(=O)COC(=O)c1ccoc1
CCO
<|startoftext|><L>N#<mask_1:3>CN(CCC#N)C(=O)COC(=O)c1ccoc1<mask_1:3>
2
2
3
CC
3
N#CCCCN(CCC#N)C(=O)COC(=O)c1ccoc1
N#CCCN(CCC#N)C(=O)COC(=O)c1ccoc1
CCC
<|startoftext|><L>N#C<mask_1:2>CCN(CCC#N)C(=O)COC(=O)c1ccoc1<mask_1:2>
0
3
2
2
N#CCOCCN(CCC#N)C(=O)COC(=O)c1ccoc1
N#CCCN(CCC#N)C(=O)COC(=O)c1ccoc1
CO
<|startoftext|><L>N#CCCN(CCC#N)C(=O)CO<mask_1:3>=O)c1ccoc1<mask_1:3>
2
20
3
C(
3
N#CCCN(CCC#N)C(=O)COCC(=O)c1ccoc1
N#CCCN(CCC#N)C(=O)COC(=O)c1ccoc1
CC(
<|startoftext|><L>Fc1ccc(CO<mask_1:2>2ccccc2CNCc2ccccc2)cc1<mask_1:2>
1
9
2
c
2
Fc1ccc(COCc2ccccc2CNCc2ccccc2)cc1
Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1
Cc
<|startoftext|><L>Fc1ccc(COc2ccccc2<mask_1:2>2ccccc2)cc1<mask_1:2>
4
17
2
CNCc
2
Fc1ccc(COc2ccccc2-c2ccccc2)cc1
Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1
-c
<|startoftext|><L>Fc1ccc(COc2ccccc2CNCc2ccccc2)c<mask_1:4>c1<mask_1:4>
0
30
4
4
Fc1ccc(COc2ccccc2CNCc2ccccc2)c(Cl)c1
Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1
(Cl)
<|startoftext|><L><mask_1:3>1ccc(COc2ccccc2CNCc2ccccc2)cc1<mask_1:3>
2
0
3
Fc
3
Brc1ccc(COc2ccccc2CNCc2ccccc2)cc1
Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1
Brc
<|startoftext|><L>Fc1ccc(COc2cc<mask_1:4>ccc2CNCc2ccccc2)cc1<mask_1:4>
0
13
4
4
Fc1ccc(COc2cc(Cl)ccc2CNCc2ccccc2)cc1
Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1
(Cl)
<|startoftext|><L>Fc1ccc(COc2ccccc2CN<mask_1:2>ccccc2)cc1<mask_1:2>
3
19
2
Cc2
2
Fc1ccc(COc2ccccc2CNc2ccccc2)cc1
Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1
c2
<|startoftext|><L>Fc1ccc(CO<mask_1:2>c2ccccc2CNCc2ccccc2)cc1<mask_1:2>
0
9
2
2
Fc1ccc(COCCc2ccccc2CNCc2ccccc2)cc1
Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1
CC
<|startoftext|><L>Fc1ccc(COc2ccccc2CN<mask_1:4>c2ccccc2)cc1<mask_1:4>
1
19
4
C
4
Fc1ccc(COc2ccccc2CNCCOCc2ccccc2)cc1
Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1
CCOC
<|startoftext|><L>Fc1ccc(COc2ccccc2CNCc2cc<mask_1:4>ccc2)cc1<mask_1:4>
0
24
4
4
Fc1ccc(COc2ccccc2CNCc2cc(Cl)ccc2)cc1
Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1
(Cl)
<|startoftext|><L>Fc1ccc(COc2ccccc2CN<mask_1:2>Cc2ccccc2)cc1<mask_1:2>
0
19
2
2
Fc1ccc(COc2ccccc2CNCCCc2ccccc2)cc1
Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1
CC
<|startoftext|><L>C[C@H](OC(=O)<mask_1:5>C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2<mask_1:5>
0
13
5
5
C[C@H](OC(=O)C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
C(=O)
<|startoftext|><L>C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)<mask_1:4>O2<mask_1:4>
7
62
4
NC(=O)C
4
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)OCCCO2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
OCCC
<|startoftext|><L>C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)<mask_1:3>O)c1ccc2c(c1)NC(=O)CO2<mask_1:3>
6
43
3
C2)C(=
3
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2=O)c1ccc2c(c1)NC(=O)CO2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
C2=
<|startoftext|><L>C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(<mask_1:7>C(=O)CO2<mask_1:7>
4
59
7
c1)N
7
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)N(C)C(=O)CO2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
c1)N(C)
<|startoftext|><L>C[C@H](OC(=O)C12C[C@H]3C[C@@H<mask_1:9>C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2<mask_1:9>
8
29
9
](CC(O)(
9
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
](CC(Br)(
<|startoftext|><L>C[C@H](OC(=O<mask_1:3>12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2<mask_1:3>
2
12
3
)C
3
C[C@H](OC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
)CC
<|startoftext|><L>C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2<mask_1:4>O)CO2<mask_1:4>
9
57
4
c(c1)NC(=
4
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1O)CO2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
c(c1
<|startoftext|><L>C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)<mask_1:2>c1ccc2c(c1)NC(=O)CO2<mask_1:2>
5
46
2
C(=O)
2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)COc1ccc2c(c1)NC(=O)CO2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
CO
<|startoftext|><L>C[C@H]<mask_1:7>=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2<mask_1:7>
4
6
7
(OC(
7
C[C@H](S(=O)(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
(S(=O)(
<|startoftext|><L>C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c<mask_1:8>CO2<mask_1:8>
10
58
8
(c1)NC(=O)
8
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)OCCCCO2
C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2
(c1)OCCC
<|startoftext|><L>C[C@H]1COCCN1CC(=O)Nc1cc(C(C<mask_1:1>C)no1<mask_1:1>
4
28
1
)(C)
1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)C)no1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
)
<|startoftext|><L>C[C@H]1COCCN1CC(=O)Nc1cc(C<mask_1:3>C)C)no1<mask_1:3>
4
26
3
(C)(
3
C[C@H]1COCCN1CC(=O)Nc1cc(CCN(C)C)no1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
CN(
<|startoftext|><L>C[C@H]1COCCN1<mask_1:5>C(=O)Nc1cc(C(C)(C)C)no1<mask_1:5>
1
13
5
C
5
C[C@H]1COCCN1C(=O)C(=O)Nc1cc(C(C)(C)C)no1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
C(=O)
<|startoftext|><L>C[C@H]1<mask_1:2>1CC(=O)Nc1cc(C(C)(C)C)no1<mask_1:2>
5
7
2
COCCN
2
C[C@H]1CN1CC(=O)Nc1cc(C(C)(C)C)no1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
CN
<|startoftext|><L>C[C@H]1COCCN1<mask_1:5>O)Nc1cc(C(C)(C)C)no1<mask_1:5>
4
13
5
CC(=
5
C[C@H]1COCCN1CCC(=O)Nc1cc(C(C)(C)C)no1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
CCC(=
<|startoftext|><L>C[C@H]<mask_1:2>CCN1CC(=O)Nc1cc(C(C)(C)C)no1<mask_1:2>
3
6
2
1CO
2
C[C@H]1CCCN1CC(=O)Nc1cc(C(C)(C)C)no1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
1C
<|startoftext|><L>C[C@H]1C<mask_1:4>N1CC(=O)Nc1cc(C(C)(C)C)no1<mask_1:4>
3
8
4
OCC
4
C[C@H]1CCCCCN1CC(=O)Nc1cc(C(C)(C)C)no1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
CCCC
<|startoftext|><L>C[C@<mask_1:1>H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1<mask_1:1>
0
4
1
1
C[C@@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
@
<|startoftext|><L>C[C@H]1COCCN<mask_1:1>(=O)Nc1cc(C(C)(C)C)no1<mask_1:1>
3
12
1
1CC
1
C[C@H]1COCCN1(=O)Nc1cc(C(C)(C)C)no1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
1
<|startoftext|><L>C[C@H]1<mask_1:3>OCCN1CC(=O)Nc1cc(C(C)(C)C)no1<mask_1:3>
1
7
3
C
3
C[C@H]1CCCOCCN1CC(=O)Nc1cc(C(C)(C)C)no1
C[C@H]1COCCN1CC(=O)Nc1cc(C(C)(C)C)no1
CCC
<|startoftext|><L>CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(<mask_1:7>C)cc1<mask_1:7>
1
46
7
O
7
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C(=O)OCC)cc1
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
C(=O)OC
<|startoftext|><L>CC[C@<mask_1:7>H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1<mask_1:7>
0
5
7
7
CC[C@H](O)[CH](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
H](O)[C
<|startoftext|><L>CC[C@H](OC(=O)C(c1<mask_1:5>cccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1<mask_1:5>
1
18
5
c
5
CC[C@H](OC(=O)C(c1c(OC)cccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
c(OC)
<|startoftext|><L>CC[C@H](OC(=O)C(c1ccccc1)c<mask_1:6>c1)C(=O)Nc1ccc(OC)cc1<mask_1:6>
5
26
6
1cccc
5
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
1cccc
<|startoftext|><L>CC[C@H](OC(=O<mask_1:6>C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1<mask_1:6>
1
13
6
)
6
CC[C@H](OC(=O)/C=C/C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
)/C=C/
<|startoftext|><L>CC[C@H]<mask_1:3>C(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1<mask_1:3>
2
7
3
(O
3
CC[C@H](COC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
(CO
<|startoftext|><L>CC[C@H](OC(=O)<mask_1:6>C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1<mask_1:6>
0
14
6
6
CC[C@H](OC(=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
C(=O)N
<|startoftext|><L>CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1c<mask_1:3>C)cc1<mask_1:3>
4
43
3
cc(O
3
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C)cc1
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
cc(
<|startoftext|><L>CC[C@H](OC<mask_1:5>=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1<mask_1:5>
1
10
5
(
5
CC[C@H](OCCCNC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
CCNC(
<|startoftext|><L>CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1<mask_1:2>Nc1ccc(OC)cc1<mask_1:2>
6
33
2
)C(=O)
2
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)CNc1ccc(OC)cc1
CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
)C
<|startoftext|><L>Cc1noc(C)c1COc1<mask_1:2>cc1C(=O)NC[C@](C)(O)CCC(C)C<mask_1:2>
3
15
2
ccc
2
Cc1noc(C)c1COc1sccc1C(=O)NC[C@](C)(O)CCC(C)C
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C
sc
<|startoftext|><L>Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)C<mask_1:1>C)C<mask_1:1>
3
39
1
CC(
1
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)C(C)C
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C
(
<|startoftext|><L>Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CC<mask_1:2>C(C)C<mask_1:2>
0
40
2
2
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCOCC(C)C
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C
OC
<|startoftext|><L>Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CC<mask_1:6>(C)C<mask_1:6>
1
40
6
C
6
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(=O)N(C)C
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C
C(=O)N
<|startoftext|><L>Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(<mask_1:5>C)C<mask_1:5>
0
42
5
5
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(=O)N(C)C
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C
=O)N(
<|startoftext|><L>Cc1noc(C)c1COc1ccccc1C(=O)N<mask_1:2>C[C@](C)(O)CCC(C)C<mask_1:2>
0
27
2
2
Cc1noc(C)c1COc1ccccc1C(=O)NCCC[C@](C)(O)CCC(C)C
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C
CC
<|startoftext|><L>Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C<mask_1:2>CCC(C)C<mask_1:2>
4
34
2
)(O)
2
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)OCCC(C)C
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C
)O
<|startoftext|><L>Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC<mask_1:4>C)C<mask_1:4>
1
41
4
(
4
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)(C)C
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C
(C)(
<|startoftext|><L>Cc1noc(C)c1COc1ccccc1C(=O)NC[C<mask_1:1>(O)CCC(C)C<mask_1:1>
5
30
1
@](C)
1
Cc1noc(C)c1COc1ccccc1C(=O)NC[C](O)CCC(C)C
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C
]
<|startoftext|><L>Cc1noc(C)c1COc1ccccc1C(=O)N<mask_1:3>C[C@](C)(O)CCC(C)C<mask_1:3>
0
27
3
3
Cc1noc(C)c1COc1ccccc1C(=O)N(C)C[C@](C)(O)CCC(C)C
Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C
(C)
<|startoftext|><L>Cc1ccc(CN2<mask_1:2>CCn3c(CNC(=O)N(C)C)nnc3C2)o1<mask_1:2>
0
10
2
2
Cc1ccc(CN2CCCCn3c(CNC(=O)N(C)C)nnc3C2)o1
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
CC
<|startoftext|><L>Cc1ccc(<mask_1:2>Cn3c(CNC(=O)N(C)C)nnc3C2)o1<mask_1:2>
4
7
2
CN2C
2
Cc1ccc(N2Cn3c(CNC(=O)N(C)C)nnc3C2)o1
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
N2
<|startoftext|><L>Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc<mask_1:5>C2)o1<mask_1:5>
1
32
5
3
5
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3[CH]C2)o1
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
3[CH]
<|startoftext|><L>Cc1ccc(CN2CCn3<mask_1:3>C(=O)N(C)C)nnc3C2)o1<mask_1:3>
4
14
3
c(CN
3
Cc1ccc(CN2CCn3c(CC(=O)N(C)C)nnc3C2)o1
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
c(C
<|startoftext|><L>Cc1ccc(<mask_1:3>CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1<mask_1:3>
0
7
3
3
Cc1ccc(CCCCN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
CCC
<|startoftext|><L>Cc1ccc(CN2CCn3c(CN<mask_1:2>)N(C)C)nnc3C2)o1<mask_1:2>
4
18
2
C(=O
2
Cc1ccc(CN2CCn3c(CN(C)N(C)C)nnc3C2)o1
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
(C
<|startoftext|><L>Cc1ccc(CN2CCn3c(CN<mask_1:5>O)N(C)C)nnc3C2)o1<mask_1:5>
3
18
5
C(=
5
Cc1ccc(CN2CCn3c(CNCCC(=O)N(C)C)nnc3C2)o1
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
CCC(=
<|startoftext|><L>Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)n<mask_1:5>3C2)o1<mask_1:5>
2
30
5
nc
5
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nc(C)c3C2)o1
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
c(C)c
<|startoftext|><L>Cc1ccc(CN2CCn3c(CNC(=O<mask_1:4>N(C)C)nnc3C2)o1<mask_1:4>
1
22
4
)
4
Cc1ccc(CN2CCn3c(CNC(=O)CCCN(C)C)nnc3C2)o1
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
)CCC
<|startoftext|><L>Cc1ccc(CN2CCn3c(<mask_1:5>CNC(=O)N(C)C)nnc3C2)o1<mask_1:5>
0
16
5
5
Cc1ccc(CN2CCn3c(COCC=CNC(=O)N(C)C)nnc3C2)o1
Cc1ccc(CN2CCn3c(CNC(=O)N(C)C)nnc3C2)o1
COCC=