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stringlengths 48
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| first_mask_count
int64 0
16
| first_start_index
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155
| first_mask_gen_count
int64 1
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stringlengths 0
16
| first_mask_gen_count_real
int64 0
19
| generated_smiles
stringlengths 11
189
| original_smiles
stringlengths 11
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<|startoftext|><L>CCS(=O)(=O)[C@@](C)(Br)[C@@H](<mask_1:4>ccc1<mask_1:4> | 6 | 30 | 4 | O)c1cc | 4 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccc1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | O)c1 |
<|startoftext|><L>CCS(=O)(=O)[C<mask_1:4>)(Br)[C@@H](O)c1ccccc1<mask_1:4> | 5 | 13 | 4 | @@](C | 4 | CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1ccccc1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | @](C |
<|startoftext|><L>C<mask_1:4>CS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1<mask_1:4> | 0 | 1 | 4 | 4 | CC(C)CS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | C(C) |
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<|startoftext|><L>CCS(=O)(=O)[C@@](C)(Br)[C@@H<mask_1:1>c1ccccc1<mask_1:1> | 4 | 28 | 1 | ](O) | 1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H]c1ccccc1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | ] |
<|startoftext|><L>C<mask_1:1>CS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1<mask_1:1> | 0 | 1 | 1 | 1 | CCCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | C |
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<|startoftext|><L>CCS(=O)(=O)[C@@](C)(Br)[C@@<mask_1:2>c1ccccc1<mask_1:2> | 5 | 27 | 2 | H](O) | 2 | CCS(=O)(=O)[C@@](C)(Br)[C@@H]c1ccccc1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | H] |
<|startoftext|><L>CCS(=O)(=O)[C@@](C)(Br)[C@@H](O<mask_1:4>c1ccccc1<mask_1:4> | 1 | 31 | 4 | ) | 4 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](OC)CCc1ccccc1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | C)CC |
<|startoftext|><L>CCS(=O)(=O)<mask_1:1>(C)(Br)[C@@H](O)c1ccccc1<mask_1:1> | 5 | 11 | 1 | [C@@] | 1 | CCS(=O)(=O)C(C)(Br)[C@@H](O)c1ccccc1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | C |
<|startoftext|><L>CCS(=O)(=O)[C@@](C<mask_1:6>[C@@H](O)c1ccccc1<mask_1:6> | 5 | 18 | 6 | )(Br) | 6 | CCS(=O)(=O)[C@@](C)(Br)C[C@@H](O)c1ccccc1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | )(Br)C |
<|startoftext|><L>CCS(=O)(=O)[C@@](C)(B<mask_1:6>r)[C@@H](O)c1ccccc1<mask_1:6> | 0 | 21 | 6 | 6 | CCS(=O)(=O)[C@@](C)(Br)C(BBr)[C@@H](O)c1ccccc1 | CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1 | r)C(BB |
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<|startoftext|><L>Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN<mask_1:7>O)N(C)C)C1)C(C)C<mask_1:7> | 8 | 32 | 7 | (S(=O)(= | 7 | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(CCCC(=O)N(C)C)C1)C(C)C | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | (CCCC(= |
<|startoftext|><L>Cc1ccccc1[C@@H](NC<mask_1:5>)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C<mask_1:5> | 3 | 18 | 5 | (=O | 5 | Cc1ccccc1[C@@H](NC(C)(C)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | (C)(C |
<|startoftext|><L>Cc1ccccc1[C@@H](NC(=O)[C@H<mask_1:7>CCN(S(=O)(=O)N(C)C)C1)C(C)C<mask_1:7> | 3 | 26 | 7 | ]1C | 7 | Cc1ccccc1[C@@H](NC(=O)[C@H](C)N1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | ](C)N1C |
<|startoftext|><L>Cc1ccccc1[C@@H](NC(=O)[<mask_1:7>N(S(=O)(=O)N(C)C)C1)C(C)C<mask_1:7> | 8 | 23 | 7 | C@H]1CCC | 7 | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCN(S(=O)(=O)N(C)C)C1)C(C)C | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | C@H]1CC |
<|startoftext|><L>Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C<mask_1:5>)C)C1)C(C)C<mask_1:5> | 0 | 45 | 5 | 5 | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)CC(C)C)C1)C(C)C | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | )CC(C |
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<|startoftext|><L>Cc1ccccc1[<mask_1:3>NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C<mask_1:3> | 6 | 10 | 3 | C@@H]( | 3 | Cc1ccccc1[C](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | C]( |
<|startoftext|><L>Cc1ccccc1[C@@H](NC(=O)[C@<mask_1:4>CCCN(S(=O)(=O)N(C)C)C1)C(C)C<mask_1:4> | 3 | 25 | 4 | H]1 | 4 | Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | @H]1 |
<|startoftext|><L>Cc1ccccc1[C@@H](N<mask_1:8>[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C<mask_1:8> | 5 | 17 | 8 | C(=O) | 9 | Cc1ccccc1[C@@H](NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | S(=O)(=O) |
<|startoftext|><L>Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(<mask_1:3>)N(C)C)C1)C(C)C<mask_1:3> | 8 | 33 | 3 | S(=O)(=O | 3 | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(C(C)N(C)C)C1)C(C)C | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | C(C |
<|startoftext|><L>Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN<mask_1:4>)(=O)N(C)C)C1)C(C)C<mask_1:4> | 5 | 32 | 4 | (S(=O | 4 | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)N(C)C)C1)C(C)C | Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C | (S(C |
<|startoftext|><L>O=C(O)c1cc(Cl)c(Cl)c(C(F)(<mask_1:4>)c1<mask_1:4> | 3 | 26 | 4 | F)F | 4 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)Cl)c1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | F)Cl |
<|startoftext|><L>O=C(O)c1cc(<mask_1:4>)c(Cl)c(C(F)(F)F)c1<mask_1:4> | 2 | 11 | 4 | Cl | 4 | O=C(O)c1cc(NCCO)c(Cl)c(C(F)(F)F)c1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | NCCO |
<|startoftext|><L>O=C(O)c1cc(Cl)c(Cl)c(C(F)<mask_1:1>)c1<mask_1:1> | 4 | 25 | 1 | (F)F | 1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)F)c1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | F |
<|startoftext|><L>O=C(O)c1cc(Cl)c(C<mask_1:2>)c(C(F)(F)F)c1<mask_1:2> | 1 | 17 | 2 | l | 2 | O=C(O)c1cc(Cl)c(C=O)c(C(F)(F)F)c1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | =O |
<|startoftext|><L>O=C<mask_1:3>)c1cc(Cl)c(Cl)c(C(F)(F)F)c1<mask_1:3> | 2 | 3 | 3 | (O | 3 | O=C(NO)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | (NO |
<|startoftext|><L>O=C(O)c1cc(<mask_1:2>(Cl)c(C(F)(F)F)c1<mask_1:2> | 4 | 11 | 2 | Cl)c | 2 | O=C(O)c1cc(F)(Cl)c(C(F)(F)F)c1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | F) |
<|startoftext|><L>O=C(O)c1cc(Cl)c(Cl)c<mask_1:3>C(F)(F)F)c1<mask_1:3> | 1 | 20 | 3 | ( | 3 | O=C(O)c1cc(Cl)c(Cl)c(OCC(F)(F)F)c1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | (OC |
<|startoftext|><L>O=C(O)c1cc(Cl)c(Cl)c(C<mask_1:4>)(F)F)c1<mask_1:4> | 2 | 22 | 4 | (F | 4 | O=C(O)c1cc(Cl)c(Cl)c(COC(F)(F)F)c1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | OC(F |
<|startoftext|><L>O=C(O)c1cc(Cl)c(Cl)c(C(F)<mask_1:4>F)c1<mask_1:4> | 3 | 25 | 4 | (F) | 4 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)CF)c1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | (F)C |
<|startoftext|><L>O=C<mask_1:3>O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1<mask_1:3> | 1 | 3 | 3 | ( | 3 | O=C(CCO)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 | (CC |
<|startoftext|><L><mask_1:4>c1ccc(Cl)cc1CSC[C@@H](O)CO<mask_1:4> | 2 | 0 | 4 | CO | 4 | CCCCc1ccc(Cl)cc1CSC[C@@H](O)CO | COc1ccc(Cl)cc1CSC[C@@H](O)CO | CCCC |
<|startoftext|><L>COc1<mask_1:4>cc(Cl)cc1CSC[C@@H](O)CO<mask_1:4> | 1 | 4 | 4 | c | 4 | COc1c(C)cc(Cl)cc1CSC[C@@H](O)CO | COc1ccc(Cl)cc1CSC[C@@H](O)CO | c(C) |
<|startoftext|><L>COc1ccc(Cl)cc1<mask_1:2>CSC[C@@H](O)CO<mask_1:2> | 0 | 14 | 2 | 2 | COc1ccc(Cl)cc1NCCSC[C@@H](O)CO | COc1ccc(Cl)cc1CSC[C@@H](O)CO | NC |
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<|startoftext|><L>COc1ccc(Cl)cc1CSC[C@<mask_1:2>O)CO<mask_1:2> | 4 | 20 | 2 | @H]( | 2 | COc1ccc(Cl)cc1CSC[C@](O)CO | COc1ccc(Cl)cc1CSC[C@@H](O)CO | ]( |
<|startoftext|><L>COc1ccc(Cl)cc1CS<mask_1:2>@H](O)CO<mask_1:2> | 4 | 16 | 2 | C[C@ | 2 | COc1ccc(Cl)cc1CS[C@H](O)CO | COc1ccc(Cl)cc1CSC[C@@H](O)CO | [C |
<|startoftext|><L>COc1ccc(Cl)cc1CSC[C@@<mask_1:3>)CO<mask_1:3> | 4 | 21 | 3 | H](O | 3 | COc1ccc(Cl)cc1CSC[C@@](O)CO | COc1ccc(Cl)cc1CSC[C@@H](O)CO | ](O |
<|startoftext|><L>COc1ccc(C<mask_1:1>cc1CSC[C@@H](O)CO<mask_1:1> | 2 | 9 | 1 | l) | 1 | COc1ccc(C)cc1CSC[C@@H](O)CO | COc1ccc(Cl)cc1CSC[C@@H](O)CO | ) |
<|startoftext|><L>COc1ccc(C<mask_1:1>l)cc1CSC[C@@H](O)CO<mask_1:1> | 0 | 9 | 1 | 1 | COc1ccc(CCl)cc1CSC[C@@H](O)CO | COc1ccc(Cl)cc1CSC[C@@H](O)CO | C |
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<|startoftext|><L>COc1ccc(Cl)cc1CSC[C@@H](<mask_1:2>O<mask_1:2> | 3 | 24 | 2 | O)C | 2 | COc1ccc(Cl)cc1CSC[C@@H](C)O | COc1ccc(Cl)cc1CSC[C@@H](O)CO | C) |
<|startoftext|><L>COc<mask_1:3>ccc(Cl)cc1CSC[C@@H](O)CO<mask_1:3> | 1 | 3 | 3 | 1 | 3 | COc1ncccc(Cl)cc1CSC[C@@H](O)CO | COc1ccc(Cl)cc1CSC[C@@H](O)CO | 1nc |
<|startoftext|><L>CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2<mask_1:2>CC2)n1<mask_1:2> | 4 | 31 | 2 | C2CC | 2 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CC2)n1 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | C2 |
<|startoftext|><L>CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2<mask_1:5>CCCC2)n1<mask_1:5> | 2 | 31 | 5 | C2 | 5 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2CC2CCCCCC2)n1 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | CC2CC |
<|startoftext|><L>CCOC(=O)c1csc<mask_1:4>Sc2nc(=O)cc(O)n2C2CCCC2)n1<mask_1:4> | 2 | 13 | 4 | (C | 4 | CCOC(=O)c1csc(CCCSc2nc(=O)cc(O)n2C2CCCC2)n1 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | (CCC |
<|startoftext|><L>CCOC(=<mask_1:6>c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1<mask_1:6> | 2 | 6 | 6 | O) | 6 | CCOC(=O)/C=Cc1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | O)/C=C |
<|startoftext|><L>CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2<mask_1:5>2)n1<mask_1:5> | 6 | 31 | 5 | C2CCCC | 5 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2CC2CC2)n1 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | CC2CC |
<|startoftext|><L>CC<mask_1:6>OC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1<mask_1:6> | 0 | 2 | 6 | 6 | CC(C)(C)OC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | (C)(C) |
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<|startoftext|><L>CCOC(=O)c1csc<mask_1:5>CSc2nc(=O)cc(O)n2C2CCCC2)n1<mask_1:5> | 1 | 13 | 5 | ( | 5 | CCOC(=O)c1csc(CNCCCSc2nc(=O)cc(O)n2C2CCCC2)n1 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | (CNCC |
<|startoftext|><L>CCOC(=O<mask_1:3>1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1<mask_1:3> | 2 | 7 | 3 | )c | 3 | CCOC(=O)Cc1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | )Cc |
<|startoftext|><L>CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2<mask_1:5>CCCC2)n1<mask_1:5> | 2 | 31 | 5 | C2 | 5 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCCCCC2)n1 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | C2CCC |
<|startoftext|><L>CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CC<mask_1:5>C2)n1<mask_1:5> | 1 | 35 | 5 | C | 5 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCC(C)CC2)n1 | CCOC(=O)c1csc(CSc2nc(=O)cc(O)n2C2CCCC2)n1 | C(C)C |
<|startoftext|><L>CO<mask_1:3>1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1<mask_1:3> | 1 | 2 | 3 | c | 3 | COCCc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | CCc |
<|startoftext|><L>COc1ccc(<mask_1:7>C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1<mask_1:7> | 2 | 8 | 7 | CN | 7 | COc1ccc(CNC(=O)C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | CNC(=O) |
<|startoftext|><L>COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O<mask_1:1>C)cn2)cc1<mask_1:1> | 5 | 39 | 1 | )N(C) | 1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)C)cn2)cc1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | ) |
<|startoftext|><L>COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)<mask_1:1>C)C)cn2)cc1<mask_1:1> | 6 | 36 | 1 | (=O)N( | 1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(C)C)cn2)cc1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | ( |
<|startoftext|><L>COc1c<mask_1:5>CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1<mask_1:5> | 3 | 5 | 5 | cc( | 5 | COc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | cc(CC |
<|startoftext|><L>COc1ccc(CNC(=O)[C@<mask_1:3>C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1<mask_1:3> | 4 | 18 | 3 | @H]( | 3 | COc1ccc(CNC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | H]( |
<|startoftext|><L>CO<mask_1:7>1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1<mask_1:7> | 1 | 2 | 7 | c | 7 | COC(=O)Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | C(=O)Cc |
<|startoftext|><L>COc1ccc(CNC(=O)<mask_1:2>[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1<mask_1:2> | 0 | 15 | 2 | 2 | COc1ccc(CNC(=O)NC[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | NC |
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<|startoftext|><L>COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)c<mask_1:2>cc1<mask_1:2> | 3 | 47 | 2 | n2) | 3 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | n2) |
<|startoftext|><L>COc1ccc(CNC(=O)[C@@H](C)<mask_1:4>c2ccc(S(=O)(=O)N(C)C)cn2)cc1<mask_1:4> | 1 | 24 | 4 | S | 4 | COc1ccc(CNC(=O)[C@@H](C)N(C)c2ccc(S(=O)(=O)N(C)C)cn2)cc1 | COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 | N(C) |
<|startoftext|><L>COc1cccc([C@H]2[C@@H<mask_1:8>3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1<mask_1:8> | 4 | 20 | 8 | ](Oc | 8 | COc1cccc([C@H]2[C@@H](C(=O)c3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | ](C(=O)c |
<|startoftext|><L>COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2<mask_1:4>CCCN2CCOCC2)c1<mask_1:4> | 1 | 41 | 4 | C | 4 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCNCCCN2CCOCC2)c1 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | CCCN |
<|startoftext|><L>COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN<mask_1:5>2CCOCC2)c1<mask_1:5> | 0 | 46 | 5 | 5 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN(C)CN2CCOCC2)c1 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | (C)CN |
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<|startoftext|><L>COc1cccc([C@H]2[C@@H](Oc3<mask_1:8>3Cl)C(=O)N2CCCCN2CCOCC2)c1<mask_1:8> | 5 | 25 | 8 | ccccc | 8 | COc1cccc([C@H]2[C@@H](Oc3ccc(F)cc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | ccc(F)cc |
<|startoftext|><L>COc1<mask_1:7>[C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1<mask_1:7> | 5 | 4 | 7 | cccc( | 7 | COc1cccc(CC[C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | cccc(CC |
<|startoftext|><L>COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2C<mask_1:8>N2CCOCC2)c1<mask_1:8> | 3 | 42 | 8 | CCC | 8 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCN(C)CCN2CCOCC2)c1 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | CCN(C)CC |
<|startoftext|><L>COc1cccc([C@<mask_1:5>[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1<mask_1:5> | 3 | 12 | 5 | H]2 | 5 | COc1cccc([C@@H]2C[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | @H]2C |
<|startoftext|><L>COc1c<mask_1:6>([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1<mask_1:6> | 3 | 5 | 6 | ccc | 6 | COc1ccc(O)c([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | cc(O)c |
<|startoftext|><L>COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2C<mask_1:2>2)c1<mask_1:2> | 4 | 48 | 2 | COCC | 2 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCC2)c1 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | CC |
<|startoftext|><L>COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2<mask_1:2>COCC2)c1<mask_1:2> | 7 | 41 | 2 | CCCCN2C | 2 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2C2COCC2)c1 | COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 | C2 |
<|startoftext|><L>O=C(Nc1ccccc1)Nc1ccc2<mask_1:6>)C(=O)Nc1ccccc1O2<mask_1:6> | 4 | 21 | 6 | c(c1 | 6 | O=C(Nc1ccccc1)Nc1ccc2c(c1Br)C(=O)Nc1ccccc1O2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | c(c1Br |
<|startoftext|><L>O=C(Nc1ccccc1)Nc1cc<mask_1:4>2c(c1)C(=O)Nc1ccccc1O2<mask_1:4> | 1 | 19 | 4 | c | 4 | O=C(Nc1ccccc1)Nc1cc(F)c2c(c1)C(=O)Nc1ccccc1O2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | (F)c |
<|startoftext|><L>O=C(Nc1cccc<mask_1:3>c1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2<mask_1:3> | 0 | 11 | 3 | 3 | O=C(Nc1cccc(F)c1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | (F) |
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<|startoftext|><L>O=C(N<mask_1:5>c1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2<mask_1:5> | 6 | 5 | 5 | c1cccc | 5 | O=C(Nc1ccoc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | c1cco |
<|startoftext|><L>O<mask_1:2>C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2<mask_1:2> | 1 | 1 | 2 | = | 2 | O=CC(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | =C |
<|startoftext|><L>O=C(Nc1ccccc1)Nc1ccc2c(c1<mask_1:2>Nc1ccccc1O2<mask_1:2> | 6 | 25 | 2 | )C(=O) | 2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)CNc1ccccc1O2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | )C |
<|startoftext|><L>O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1c<mask_1:3>cccc1O2<mask_1:3> | 0 | 35 | 3 | 3 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1c(F)cccc1O2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | (F) |
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<|startoftext|><L>O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)<mask_1:3>1ccccc1O2<mask_1:3> | 2 | 31 | 3 | Nc | 3 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)NCc1ccccc1O2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | NCc |
<|startoftext|><L>O=C(Nc<mask_1:2>ccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2<mask_1:2> | 3 | 6 | 2 | 1cc | 2 | O=C(Nc1sccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | 1s |
<|startoftext|><L>O=C(<mask_1:3>cccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2<mask_1:3> | 4 | 4 | 3 | Nc1c | 3 | O=C(c1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 | c1c |
<|startoftext|><L>Cc1nc2sc(<mask_1:7>=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1<mask_1:7> | 2 | 9 | 7 | C( | 7 | Cc1nc2sc(C(=O)C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | C(=O)C( |
<|startoftext|><L>Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)<mask_1:1>1<mask_1:1> | 4 | 45 | 1 | [nH] | 1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)o1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | o |
<|startoftext|><L>Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[<mask_1:5>]1<mask_1:5> | 2 | 46 | 5 | nH | 6 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH][nH]1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | nH][nH |
<|startoftext|><L>Cc1nc2sc(C<mask_1:5>3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1<mask_1:5> | 6 | 10 | 5 | (=O)Nc | 5 | Cc1nc2sc(C(=O)c3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | (=O)c |
<|startoftext|><L>Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c<mask_1:4>=O)[nH]1<mask_1:4> | 7 | 35 | 4 | (C)c2c( | 4 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)cc2c(=O)[nH]1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | c2c( |
<|startoftext|><L>Cc1nc2sc(C(=O)Nc3cccc4c3ccn4<mask_1:5>C)c(C)c2c(=O)[nH]1<mask_1:5> | 4 | 28 | 5 | C(C) | 5 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4CC(C)C)c(C)c2c(=O)[nH]1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | CC(C) |
<|startoftext|><L>C<mask_1:5>c(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1<mask_1:5> | 6 | 1 | 5 | c1nc2s | 5 | Cc1nc2c(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | c1nc2 |
<|startoftext|><L>Cc1nc2sc<mask_1:5>(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1<mask_1:5> | 2 | 8 | 5 | (C | 5 | Cc1nc2sc(CCCC(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | (CCCC |
<|startoftext|><L>Cc1nc<mask_1:5>c(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1<mask_1:5> | 2 | 5 | 5 | 2s | 5 | Cc1nc2[nH]c(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | 2[nH] |
<|startoftext|><L><mask_1:4>nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1<mask_1:4> | 3 | 0 | 4 | Cc1 | 4 | CCc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | Cc1nc2sc(C(=O)Nc3cccc4c3ccn4C(C)C)c(C)c2c(=O)[nH]1 | CCc1 |
<|startoftext|><L>CCc1c(C(=O)N2CC<mask_1:4>CCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12<mask_1:4> | 8 | 15 | 4 | C3(CCCCO | 4 | CCc1c(C(=O)N2CCC(N3CCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | C(N3 |
<|startoftext|><L>CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc<mask_1:1>c12<mask_1:1> | 4 | 58 | 1 | (C)c | 1 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccccc12 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | c |
<|startoftext|><L>CCc1c(C(=O)N2CCC3(C<mask_1:5>OCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12<mask_1:5> | 3 | 19 | 5 | CCC | 5 | CCc1c(C(=O)N2CCC3(CC(=O)OCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | C(=O) |
<|startoftext|><L>CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C<mask_1:8>C3=O)CC2)[nH]c2ccc(C)cc12<mask_1:8> | 2 | 38 | 8 | )N | 8 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC(=O)NC3=O)CC2)[nH]c2ccc(C)cc12 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | )NC(=O)N |
<|startoftext|><L>CCc1c(C(=O)N2CCC<mask_1:3>CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12<mask_1:3> | 2 | 16 | 3 | 3( | 3 | CCc1c(C(=O)N2CCC3(CCCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | 3(C |
<|startoftext|><L>CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[<mask_1:7>C)NC3=O)CC2)[nH]c2ccc(C)cc12<mask_1:7> | 5 | 32 | 7 | C@H]( | 7 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@@H](CC)NC3=O)CC2)[nH]c2ccc(C)cc12 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | C@@H](C |
<|startoftext|><L>CCc1c(C(=O)N2CCC3<mask_1:2>COCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12<mask_1:2> | 4 | 17 | 2 | (CCC | 2 | CCc1c(C(=O)N2CCC3(CCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | (C |
<|startoftext|><L>CCc1c(C(=O<mask_1:3>N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12<mask_1:3> | 1 | 10 | 3 | ) | 3 | CCc1c(C(=O)NCN2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | )NC |
<|startoftext|><L>CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c<mask_1:4>cc12<mask_1:4> | 7 | 54 | 4 | 2ccc(C) | 4 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccccc12 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | 2ccc |
<|startoftext|><L>CCc1c(C(=O)N2CCC3(CCCCOCC<mask_1:7>[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12<mask_1:7> | 6 | 25 | 7 | NC(=O) | 7 | CCc1c(C(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | CCc1c(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)[nH]c2ccc(C)cc12 | CNC(=O) |