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><mask_1:5>=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1<mask_1:5> | 1 | 0 | 5 | O | 5 | C=NNC=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | C=NNC |
<|startoftext|><L>O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)<mask_1:3>cc1<mask_1:3> | 2 | 44 | 3 | F) | 3 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)Cl)cc1 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | Cl) |
<|startoftext|><L>O=S(=O)(N[C@H]1CCN(c2nccs<mask_1:6>)c1ccc(OC(F)(F)F)cc1<mask_1:6> | 4 | 25 | 6 | 2)C1 | 6 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1=O)c1ccc(OC(F)(F)F)cc1 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | 2)C1=O |
<|startoftext|><L>O=S(=O)(N[C@H]1CCN(c2nc<mask_1:4>2)C1)c1ccc(OC(F)(F)F)cc1<mask_1:4> | 2 | 23 | 4 | cs | 3 | O=S(=O)(N[C@H]1CCN(c2ncccn2)C1)c1ccc(OC(F)(F)F)cc1 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | ccn |
<|startoftext|><L>O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc<mask_1:5>F)(F)F)cc1<mask_1:5> | 4 | 35 | 5 | (OC( | 5 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OCC(F)(F)F)cc1 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | (OCC( |
<|startoftext|><L>O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)<mask_1:7>c1<mask_1:7> | 1 | 46 | 7 | c | 8 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)c(C(F)F)c1 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | c(C(F)F) |
<|startoftext|><L>O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1<mask_1:7>(OC(F)(F)F)cc1<mask_1:7> | 3 | 32 | 7 | ccc | 7 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1cc(Cl)c(OC(F)(F)F)cc1 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | cc(Cl)c |
<|startoftext|><L><mask_1:5>(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1<mask_1:5> | 7 | 0 | 5 | O=S(=O) | 5 | C[C@](N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | C[C@] |
<|startoftext|><L>O<mask_1:2>S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1<mask_1:2> | 1 | 1 | 2 | = | 2 | O=NS(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | =N |
<|startoftext|><L>O=S(=O)(<mask_1:2>@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1<mask_1:2> | 3 | 8 | 2 | N[C | 2 | O=S(=O)([C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 | [C |
<|startoftext|><L>COCCN1C(=O)C[C@@H<mask_1:4>ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1<mask_1:4> | 6 | 17 | 4 | ](CNc2 | 4 | COCCN1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | ](c2 |
<|startoftext|><L>COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C<mask_1:7>c1cnn(C(C)C)c1<mask_1:7> | 5 | 47 | 7 | @@H]1 | 7 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1CCc1cnn(C(C)C)c1 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | @@H]1CC |
<|startoftext|><L>COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[<mask_1:8>[C@@H]1c1cnn(C(C)C)c1<mask_1:8> | 9 | 36 | 8 | O-])cc2F) | 8 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cn2)[C@@H]1c1cnn(C(C)C)c1 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | O-])cn2) |
<|startoftext|><L>COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2<mask_1:8>)[C@@H]1c1cnn(C(C)C)c1<mask_1:8> | 1 | 43 | 8 | F | 8 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H]1c1cnn(C(C)C)c1 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | C(F)(F)F |
<|startoftext|><L>COCCN1C(=O)C<mask_1:9>](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1<mask_1:9> | 5 | 12 | 9 | [C@@H | 9 | COCCN1C(=O)C(=O)[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | (=O)[C@@H |
<|startoftext|><L>COCCN<mask_1:2>C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1<mask_1:2> | 6 | 5 | 2 | 1C(=O) | 2 | COCCN1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | 1C |
<|startoftext|><L>COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O<mask_1:2>cc2F)[C@@H]1c1cnn(C(C)C)c1<mask_1:2> | 6 | 34 | 2 | )[O-]) | 2 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O))cc2F)[C@@H]1c1cnn(C(C)C)c1 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | )) |
<|startoftext|><L>COCCN1C(=O)C[C@@H](CNc2ccc([<mask_1:4>(=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1<mask_1:4> | 3 | 28 | 4 | N+] | 3 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | N+] |
<|startoftext|><L><mask_1:2>OCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1<mask_1:2> | 1 | 0 | 2 | C | 2 | CCOCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | CC |
<|startoftext|><L>COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C<mask_1:3>1<mask_1:3> | 4 | 61 | 3 | )C)c | 4 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 | )C)c |
<|startoftext|><L>Cc1ccc(OCC(=O)Nc2ccc3c(c2)<mask_1:1>O3)c(-n2cnnc2)c1<mask_1:1> | 3 | 26 | 1 | OCC | 1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OO3)c(-n2cnnc2)c1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | O |
<|startoftext|><L>Cc1ccc(OCC(=O)Nc2<mask_1:6>3c(c2)OCCO3)c(-n2cnnc2)c1<mask_1:6> | 3 | 17 | 6 | ccc | 6 | Cc1ccc(OCC(=O)Nc2cc(C)c3c(c2)OCCO3)c(-n2cnnc2)c1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | cc(C)c |
<|startoftext|><L>Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)<mask_1:6>(-n2cnnc2)c1<mask_1:6> | 1 | 32 | 6 | c | 6 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c(-n2cnnc2)c1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | c(=O)c |
<|startoftext|><L>Cc1ccc(OCC(=O)Nc2ccc3c(c2)<mask_1:4>c(-n2cnnc2)c1<mask_1:4> | 6 | 26 | 4 | OCCO3) | 4 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)CC3)c(-n2cnnc2)c1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | CC3) |
<|startoftext|><L>Cc1ccc(OCC(<mask_1:5>ccc3c(c2)OCCO3)c(-n2cnnc2)c1<mask_1:5> | 6 | 11 | 5 | =O)Nc2 | 5 | Cc1ccc(OCC(=O)c2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | =O)c2 |
<|startoftext|><L>Cc1ccc(OCC(=O)N<mask_1:3>ccc3c(c2)OCCO3)c(-n2cnnc2)c1<mask_1:3> | 2 | 15 | 3 | c2 | 3 | Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | Cc2 |
<|startoftext|><L>Cc1ccc(OCC(=O)Nc<mask_1:2>3c(c2)OCCO3)c(-n2cnnc2)c1<mask_1:2> | 4 | 16 | 2 | 2ccc | 2 | Cc1ccc(OCC(=O)Nc2c3c(c2)OCCO3)c(-n2cnnc2)c1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | 2c |
<|startoftext|><L>Cc1ccc(OCC(=O<mask_1:6>cc3c(c2)OCCO3)c(-n2cnnc2)c1<mask_1:6> | 5 | 13 | 6 | )Nc2c | 6 | Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | )NCc2c |
<|startoftext|><L>Cc1ccc(OCC(=O)N<mask_1:2>3c(c2)OCCO3)c(-n2cnnc2)c1<mask_1:2> | 5 | 15 | 2 | c2ccc | 2 | Cc1ccc(OCC(=O)Nc23c(c2)OCCO3)c(-n2cnnc2)c1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | c2 |
<|startoftext|><L>Cc1ccc(OCC(=O)Nc2ccc3c(c2)<mask_1:3>)c(-n2cnnc2)c1<mask_1:3> | 5 | 26 | 3 | OCCO3 | 3 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)CC3)c(-n2cnnc2)c1 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 | CC3 |
<|startoftext|><L>C[C@H](NC(=O)CCn1nc(<mask_1:6>ccc2)c2ccccc2c1=O)c1ccccc1<mask_1:6> | 5 | 20 | 6 | -c2cc | 6 | C[C@H](NC(=O)CCn1nc(OCc2ccccc2)c2ccccc2c1=O)c1ccccc1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | OCc2cc |
<|startoftext|><L>C[<mask_1:2>@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1<mask_1:2> | 1 | 2 | 2 | C | 2 | C[C@@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | C@ |
<|startoftext|><L>C[C@H](N<mask_1:5>C(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1<mask_1:5> | 0 | 8 | 5 | 5 | C[C@H](NC(=O)C(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | C(=O) |
|
<|startoftext|><L>C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c<mask_1:1>ccc1<mask_1:1> | 3 | 44 | 1 | 1cc | 1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccc1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | 1 |
<|startoftext|><L>C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2<mask_1:6>ccc2c1=O)c1ccccc1<mask_1:6> | 2 | 32 | 6 | cc | 6 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccccc1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | cc(Cl) |
<|startoftext|><L><mask_1:4>@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1<mask_1:4> | 3 | 0 | 4 | C[C | 4 | C[C@@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | C[C@ |
<|startoftext|><L>C[C@H](N<mask_1:5>n1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1<mask_1:5> | 7 | 8 | 5 | C(=O)CC | 5 | C[C@H](NC(=O)n1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | C(=O) |
<|startoftext|><L>C<mask_1:4>C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1<mask_1:4> | 1 | 1 | 4 | [ | 4 | CSCC[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | SCC[ |
<|startoftext|><L>C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c<mask_1:7>ccc1<mask_1:7> | 3 | 44 | 7 | 1cc | 7 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1cc(Cl)ccc1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | 1cc(Cl) |
<|startoftext|><L>C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)<mask_1:6>1<mask_1:6> | 7 | 43 | 6 | c1ccccc | 6 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1cccs1 | C[C@H](NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1 | c1cccs |
<|startoftext|><L>O=C(CNC<mask_1:2>c1cccc(Br)c1)NCCc1ccco1<mask_1:2> | 4 | 7 | 2 | (=O) | 2 | O=C(CNCCOc1cccc(Br)c1)NCCc1ccco1 | O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 | CO |
<|startoftext|><L>O=C(CNC(=O)<mask_1:5>cc(Br)c1)NCCc1ccco1<mask_1:5> | 4 | 11 | 5 | c1cc | 5 | O=C(CNC(=O)Nc1cccc(Br)c1)NCCc1ccco1 | O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 | Nc1cc |
<|startoftext|><L>O=C(CNC(=O)<mask_1:3>cccc(Br)c1)NCCc1ccco1<mask_1:3> | 2 | 11 | 3 | c1 | 3 | O=C(CNC(=O)Nc1cccc(Br)c1)NCCc1ccco1 | O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 | Nc1 |
<|startoftext|><L>O=C(CNC(=O)c1cccc(Br)c1<mask_1:1>c1ccco1<mask_1:1> | 4 | 23 | 1 | )NCC | 1 | O=C(CNC(=O)c1cccc(Br)c1)c1ccco1 | O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 | ) |
<|startoftext|><L>O=C(CNC(=O)c1cccc(Br)c1)N<mask_1:3>ccco1<mask_1:3> | 4 | 25 | 3 | CCc1 | 3 | O=C(CNC(=O)c1cccc(Br)c1)NCc1ccco1 | O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 | Cc1 |
<|startoftext|><L>O=C(CNC(=O)c1cccc(Br)c1<mask_1:4>1ccco1<mask_1:4> | 5 | 23 | 4 | )NCCc | 4 | O=C(CNC(=O)c1cccc(Br)c1)NCc1ccco1 | O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 | )NCc |
<|startoftext|><L>O=C(<mask_1:2>NC(=O)c1cccc(Br)c1)NCCc1ccco1<mask_1:2> | 1 | 4 | 2 | C | 2 | O=C(CCNC(=O)c1cccc(Br)c1)NCCc1ccco1 | O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 | CC |
<|startoftext|><L>O=C(C<mask_1:2>)c1cccc(Br)c1)NCCc1ccco1<mask_1:2> | 5 | 5 | 2 | NC(=O | 2 | O=C(C(O)c1cccc(Br)c1)NCCc1ccco1 | O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 | (O |
<|startoftext|><L>O=C(CNC(=O)c1cccc(Br)c<mask_1:3>Cc1ccco1<mask_1:3> | 4 | 22 | 3 | 1)NC | 3 | O=C(CNC(=O)c1cccc(Br)c1)NCc1ccco1 | O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 | 1)N |
<|startoftext|><L>O=C(CNC(=O)c1cccc(Br)c<mask_1:2>Cc1ccco1<mask_1:2> | 4 | 22 | 2 | 1)NC | 2 | O=C(CNC(=O)c1cccc(Br)c1)Cc1ccco1 | O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 | 1) |
<|startoftext|><L>CC(C)(<mask_1:7>=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1<mask_1:7> | 5 | 6 | 7 | C)OC( | 7 | CC(C)(C)CCNC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | C)CCNC( |
<|startoftext|><L>CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2<mask_1:3>O)(=O)C2)CC1<mask_1:3> | 5 | 43 | 3 | CCS(= | 3 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2S(=O)(=O)C2)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | S(= |
<|startoftext|><L>CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N<mask_1:6>C@@H]2CCS(=O)(=O)C2)CC1<mask_1:6> | 1 | 36 | 6 | [ | 6 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | C(=O)[ |
<|startoftext|><L>CC(C)(C)OC(=O)NC[C@<mask_1:8>1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1<mask_1:8> | 2 | 19 | 8 | H] | 8 | CC(C)(C)OC(=O)NC[C@@H](O)CN1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | @H](O)CN |
<|startoftext|><L>CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(<mask_1:8>[C@@H]2CCS(=O)(=O)C2)CC1<mask_1:8> | 4 | 32 | 8 | =O)N | 8 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | =O)N(C)C |
<|startoftext|><L>CC(C<mask_1:6>=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1<mask_1:6> | 7 | 4 | 6 | )(C)OC( | 6 | CC(C)(C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | )(C)C( |
<|startoftext|><L>CC(C)(C)OC(=O)N<mask_1:4>@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1<mask_1:4> | 3 | 15 | 4 | C[C | 4 | CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | C[C@ |
<|startoftext|><L>CC(C)(C)OC(=O)NC[C@H]1CC[C@H]<mask_1:4>(=O)N[C@@H]2CCS(=O)(=O)C2)CC1<mask_1:4> | 2 | 29 | 4 | (C | 4 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | (CNC |
<|startoftext|><L>CC(C)(C)OC<mask_1:1>O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1<mask_1:1> | 2 | 10 | 1 | (= | 1 | CC(C)(C)OC(O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | ( |
<|startoftext|><L>CC(C)(C)O<mask_1:2>(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1<mask_1:2> | 1 | 9 | 2 | C | 2 | CC(C)(C)OCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 | CC |
<|startoftext|><L>O=C<mask_1:3>NC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1<mask_1:3> | 2 | 3 | 3 | (C | 3 | O=C(CCNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | (CC |
<|startoftext|><L>O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])<mask_1:3>cccc1<mask_1:3> | 5 | 35 | 3 | NCc1c | 3 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | c1c |
<|startoftext|><L>O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1c<mask_1:5>ccc1<mask_1:5> | 1 | 40 | 5 | c | 5 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1cc(Cl)ccc1 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | c(Cl) |
<|startoftext|><L>O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1<mask_1:4>cccc1<mask_1:4> | 1 | 39 | 4 | c | 4 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1c(F)cccc1 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | c(F) |
<|startoftext|><L>O=C(CNC(=O)c1sc(Br)cc1[N+](=<mask_1:4>])NCc1ccccc1<mask_1:4> | 5 | 28 | 4 | O)[O- | 4 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O])NCc1ccccc1 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | O)[O |
<|startoftext|><L>O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-<mask_1:6>)NCc1ccccc1<mask_1:6> | 1 | 33 | 6 | ] | 6 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)NCc1ccccc1 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | ])C(=O |
<|startoftext|><L>O=C(CNC(=O)c<mask_1:4>r)cc1[N+](=O)[O-])NCc1ccccc1<mask_1:4> | 5 | 12 | 4 | 1sc(B | 4 | O=C(CNC(=O)c1c(Br)cc1[N+](=O)[O-])NCc1ccccc1 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | 1c(B |
<|startoftext|><L>O=C(CNC(=O)c1sc(Br)cc1[N+](=O)<mask_1:4>Cc1ccccc1<mask_1:4> | 6 | 30 | 4 | [O-])N | 5 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])Cc1ccccc1 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | [O-]) |
<|startoftext|><L>O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1c<mask_1:6>1<mask_1:6> | 4 | 40 | 6 | cccc | 6 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1cnn[nH]1 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | nn[nH] |
<|startoftext|><L>O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NC<mask_1:3>c1<mask_1:3> | 6 | 37 | 3 | c1cccc | 3 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NC1CCc1 | O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NCc1ccccc1 | 1CC |
<|startoftext|><L>O=C1CCC2<mask_1:3>CCC(F)(F)F)CC2)CN1Cc1ccccc1<mask_1:3> | 6 | 8 | 3 | (CCN(C | 3 | O=C1CCC2(C(CCC(F)(F)F)CC2)CN1Cc1ccccc1 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | (C( |
<|startoftext|><L>O=C1CCC2(CCN(CCCC(F)(F)F)CC2)<mask_1:5>Cc1ccccc1<mask_1:5> | 3 | 29 | 5 | CN1 | 5 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1CCCc1ccccc1 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | CN1CC |
<|startoftext|><L>O=C1CCC2(C<mask_1:3>C(F)(F)F)CC2)CN1Cc1ccccc1<mask_1:3> | 6 | 10 | 3 | CN(CCC | 3 | O=C1CCC2(CCN(C(F)(F)F)CC2)CN1Cc1ccccc1 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | CN( |
<|startoftext|><L>O=C1CCC2(CCN(CCCC(F)(F)F)CC2)C<mask_1:4>c1ccccc1<mask_1:4> | 3 | 30 | 4 | N1C | 4 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1CCc1ccccc1 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | N1CC |
<|startoftext|><L>O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1<mask_1:4>1<mask_1:4> | 5 | 35 | 4 | ccccc | 4 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccco1 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | ccco |
<|startoftext|><L>O=C1CCC2(CCN(CCCC(<mask_1:4>F)(F)F)CC2)CN1Cc1ccccc1<mask_1:4> | 0 | 18 | 4 | 4 | O=C1CCC2(CCN(CCCC(F)C(F)(F)F)CC2)CN1Cc1ccccc1 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | F)C( |
|
<|startoftext|><L><mask_1:3>C2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1<mask_1:3> | 6 | 0 | 3 | O=C1CC | 3 | C1CC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | C1C |
<|startoftext|><L>O=C1CCC2(CCN(CCCC(F)<mask_1:2>C2)CN1Cc1ccccc1<mask_1:2> | 6 | 20 | 2 | (F)F)C | 2 | O=C1CCC2(CCN(CCCC(F)F)C2)CN1Cc1ccccc1 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | F) |
<|startoftext|><L>O=C1CCC2(CCN(CCCC(F)(F)F)CC2)<mask_1:2>N1Cc1ccccc1<mask_1:2> | 1 | 29 | 2 | C | 2 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CCN1Cc1ccccc1 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | CC |
<|startoftext|><L>O=<mask_1:4>CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1<mask_1:4> | 2 | 2 | 4 | C1 | 4 | O=C1CCCCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | O=C1CCC2(CCN(CCCC(F)(F)F)CC2)CN1Cc1ccccc1 | C1CC |
<|startoftext|><L>Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc<mask_1:3>cc1<mask_1:3> | 2 | 40 | 3 | 2) | 3 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2C)cc1 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | 2C) |
<|startoftext|><L>Cc1ccc(-c2nc(NCCN3<mask_1:4>COCC3)ncc2-c2ccc(N)nc2)cc1<mask_1:4> | 1 | 18 | 4 | C | 4 | Cc1ccc(-c2nc(NCCN3CCCCCOCC3)ncc2-c2ccc(N)nc2)cc1 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | CCCC |
<|startoftext|><L><mask_1:2>c(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1<mask_1:2> | 5 | 0 | 2 | Cc1cc | 2 | c1c(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | c1 |
<|startoftext|><L>Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-<mask_1:2>(N)nc2)cc1<mask_1:2> | 5 | 30 | 2 | c2ccc | 2 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2(N)nc2)cc1 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | c2 |
<|startoftext|><L>Cc1ccc(<mask_1:5>c(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1<mask_1:5> | 4 | 7 | 5 | -c2n | 5 | Cc1ccc(NCc2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | NCc2n |
<|startoftext|><L>Cc1ccc(-c2nc(NCCN3CCO<mask_1:3>3)ncc2-c2ccc(N)nc2)cc1<mask_1:3> | 2 | 21 | 3 | CC | 3 | Cc1ccc(-c2nc(NCCN3CCOCCC3)ncc2-c2ccc(N)nc2)cc1 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | CCC |
<|startoftext|><L>Cc1ccc(-c2nc(NCCN3C<mask_1:2>3)ncc2-c2ccc(N)nc2)cc1<mask_1:2> | 4 | 19 | 2 | COCC | 2 | Cc1ccc(-c2nc(NCCN3CCC3)ncc2-c2ccc(N)nc2)cc1 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | CC |
<|startoftext|><L>Cc1ccc(-c2nc(NCCN3C<mask_1:2>C3)ncc2-c2ccc(N)nc2)cc1<mask_1:2> | 3 | 19 | 2 | COC | 2 | Cc1ccc(-c2nc(NCCN3CCCC3)ncc2-c2ccc(N)nc2)cc1 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | CC |
<|startoftext|><L>Cc1ccc(-c2nc(NCCN3CCO<mask_1:3>3)ncc2-c2ccc(N)nc2)cc1<mask_1:3> | 2 | 21 | 3 | CC | 3 | Cc1ccc(-c2nc(NCCN3CCOCCC3)ncc2-c2ccc(N)nc2)cc1 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | CCC |
<|startoftext|><L>Cc1ccc(-c2nc(NCCN3CCOCC3)ncc<mask_1:4>c2ccc(N)nc2)cc1<mask_1:4> | 2 | 28 | 4 | 2- | 4 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2CCOc2ccc(N)nc2)cc1 | Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc(N)nc2)cc1 | 2CCO |
<|startoftext|><L>COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(<mask_1:4>cncc(C)c3)C2)cc1<mask_1:4> | 7 | 34 | 4 | C(=O)c3 | 4 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(CCc3cncc(C)c3)C2)cc1 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | CCc3 |
<|startoftext|><L>COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=<mask_1:5>cc(C)c3)C2)cc1<mask_1:5> | 6 | 37 | 5 | O)c3cn | 5 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3occ(C)c3)C2)cc1 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | O)c3o |
<|startoftext|><L>COc1ccc<mask_1:2>-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1<mask_1:2> | 1 | 7 | 2 | ( | 2 | COc1ccc(C-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | (C |
<|startoftext|><L>COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=<mask_1:7>ncc(C)c3)C2)cc1<mask_1:7> | 5 | 37 | 7 | O)c3c | 7 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)CCc3cncc(C)c3)C2)cc1 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | O)CCc3c |
<|startoftext|><L>COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN<mask_1:3>cncc(C)c3)C2)cc1<mask_1:3> | 8 | 33 | 3 | (C(=O)c3 | 3 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(c3cncc(C)c3)C2)cc1 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | (c3 |
<|startoftext|><L>COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(<mask_1:6>C2)cc1<mask_1:6> | 5 | 46 | 6 | C)c3) | 6 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(F)c3)CC2)cc1 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | F)c3)C |
<|startoftext|><L>COc1ccc(-c2nnc3n(c2=O)C<mask_1:2>32CCN(C(=O)c3cncc(C)c3)C2)cc1<mask_1:2> | 5 | 23 | 2 | C[C@] | 2 | COc1ccc(-c2nnc3n(c2=O)COC32CCN(C(=O)c3cncc(C)c3)C2)cc1 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | OC |
<|startoftext|><L>COc1ccc(-c2nn<mask_1:7>=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1<mask_1:7> | 6 | 13 | 7 | c3n(c2 | 7 | COc1ccc(-c2nnc3n2NC(=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | c3n2NC( |
<|startoftext|><L>COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)<mask_1:7>cncc(C)c3)C2)cc1<mask_1:7> | 2 | 39 | 7 | c3 | 7 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)/C=C/c3cncc(C)c3)C2)cc1 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | /C=C/c3 |
<|startoftext|><L>COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(<mask_1:5>)c3)C2)cc1<mask_1:5> | 1 | 46 | 5 | C | 5 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(N(C)C)c3)C2)cc1 | COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cncc(C)c3)C2)cc1 | N(C)C |