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stringlengths 49
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| first_mask_count
int64 0
16
| first_start_index
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224
| first_mask_gen_count
int64 1
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stringlengths 0
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| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 12
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| original_smiles
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<|startoftext|><L>Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@<mask_1:1>2)c1<mask_1:1> | 6 | 34 | 1 | H](C)C | 1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@]2)c1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | ] |
<|startoftext|><L>Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H]<mask_1:3>)C2)c1<mask_1:3> | 2 | 36 | 3 | (C | 3 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](CO)C2)c1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | (CO |
<|startoftext|><L>Cc1cc(C)nc(NC(=O)N2C[C@@H](C)<mask_1:3>@H](C)C2)c1<mask_1:3> | 4 | 29 | 3 | O[C@ | 3 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | O[C |
<|startoftext|><L>Cc1cc(C)nc(NC(=O)N2C[<mask_1:5>C@@H](C)O[C@@H](C)C2)c1<mask_1:5> | 0 | 21 | 5 | 5 | Cc1cc(C)nc(NC(=O)N2C[C@H][C@@H](C)O[C@@H](C)C2)c1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | C@H][ |
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<|startoftext|><L>Cc1cc(C)<mask_1:6>C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1<mask_1:6> | 4 | 8 | 6 | nc(N | 6 | Cc1cc(C)c(O)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | c(O)c( |
<|startoftext|><L>Cc1cc(C)nc(NC(=O)N2<mask_1:6>H](C)O[C@@H](C)C2)c1<mask_1:6> | 5 | 19 | 6 | C[C@@ | 6 | Cc1cc(C)nc(NC(=O)N2CC[C@@H](C)O[C@@H](C)C2)c1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | CC[C@@ |
<|startoftext|><L>Cc1cc(C)nc(NC(=<mask_1:4>O)N2C[C@@H](C)O[C@@H](C)C2)c1<mask_1:4> | 0 | 15 | 4 | 4 | Cc1cc(C)nc(NC(=O)C(O)N2C[C@@H](C)O[C@@H](C)C2)c1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | O)C( |
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<|startoftext|><L>Cc1cc(C)nc(NC(=O)N2C[C@@<mask_1:5>[C@@H](C)C2)c1<mask_1:5> | 6 | 24 | 5 | H](C)O | 5 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)[C@@H](C)C2)c1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | H](C) |
<|startoftext|><L>Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[<mask_1:1>H](C)C2)c1<mask_1:1> | 3 | 31 | 1 | C@@ | 1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[CH](C)C2)c1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | C |
<|startoftext|><L>Cc1cc(C)nc(NC(=O)N2C[C@@H]<mask_1:6>C@@H](C)C2)c1<mask_1:6> | 5 | 26 | 6 | (C)O[ | 6 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)OC[C@@H](C)C2)c1 | Cc1cc(C)nc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | (C)OC[ |
<|startoftext|><L>O=<mask_1:6>Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2<mask_1:6> | 2 | 2 | 6 | C( | 6 | O=S(=O)(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | S(=O)( |
<|startoftext|><L>O=C(Nc1ccc2[nH]ccc(=O)c2c1)<mask_1:2>c2c1CNC2<mask_1:2> | 5 | 27 | 2 | c1ccc | 2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)N1c2c1CNC2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | N1 |
<|startoftext|><L>O=C(Nc1cc<mask_1:5>2[nH]ccc(=O)c2c1)c1cccc2c1CNC2<mask_1:5> | 1 | 9 | 5 | c | 5 | O=C(Nc1cc(Cl)c2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | (Cl)c |
<|startoftext|><L>O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1C<mask_1:3>C2<mask_1:3> | 1 | 37 | 3 | N | 3 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CCCCC2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | CCC |
<|startoftext|><L>O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc<mask_1:4>C2<mask_1:4> | 5 | 33 | 4 | 2c1CN | 4 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CC2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | 2c1C |
<|startoftext|><L>O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cc<mask_1:4>CNC2<mask_1:4> | 5 | 31 | 4 | cc2c1 | 4 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1ccn2c1CNC2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | n2c1 |
<|startoftext|><L>O=C(Nc1ccc2[nH]ccc(=O)c2c1<mask_1:4>)c1cccc2c1CNC2<mask_1:4> | 0 | 26 | 4 | 4 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)N(C)c1cccc2c1CNC2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | )N(C |
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<|startoftext|><L>O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1ccc<mask_1:6>NC2<mask_1:6> | 5 | 32 | 6 | c2c1C | 6 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1ccc2c(c1)NC2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | 2c(c1) |
<|startoftext|><L>O=C(Nc1ccc2[nH]ccc(=<mask_1:4>2c1)c1cccc2c1CNC2<mask_1:4> | 3 | 20 | 4 | O)c | 4 | O=C(Nc1ccc2[nH]ccc(=O)c-2c1)c1cccc2c1CNC2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | O)c- |
<|startoftext|><L>O=C(Nc1ccc2[nH]<mask_1:5>c(=O)c2c1)c1cccc2c1CNC2<mask_1:5> | 2 | 15 | 5 | cc | 5 | O=C(Nc1ccc2[nH]c(O)nc(=O)c2c1)c1cccc2c1CNC2 | O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cccc2c1CNC2 | c(O)n |
<|startoftext|><L>O=C(CCN1CCCCC1)Nc1ccc<mask_1:1>c1<mask_1:1> | 4 | 21 | 1 | (F)c | 1 | O=C(CCN1CCCCC1)Nc1ccccc1 | O=C(CCN1CCCCC1)Nc1ccc(F)cc1 | c |
<|startoftext|><L>O=C(CCN1CCC<mask_1:2>Nc1ccc(F)cc1<mask_1:2> | 4 | 11 | 2 | CC1) | 2 | O=C(CCN1CCC1)Nc1ccc(F)cc1 | O=C(CCN1CCCCC1)Nc1ccc(F)cc1 | 1) |
<|startoftext|><L>O=<mask_1:2>N1CCCCC1)Nc1ccc(F)cc1<mask_1:2> | 4 | 2 | 2 | C(CC | 2 | O=C(N1CCCCC1)Nc1ccc(F)cc1 | O=C(CCN1CCCCC1)Nc1ccc(F)cc1 | C( |
<|startoftext|><L>O=C(CCN1CCCCC1)<mask_1:4>c1ccc(F)cc1<mask_1:4> | 1 | 15 | 4 | N | 4 | O=C(CCN1CCCCC1)NCCOc1ccc(F)cc1 | O=C(CCN1CCCCC1)Nc1ccc(F)cc1 | NCCO |
<|startoftext|><L>O=C<mask_1:2>1CCCCC1)Nc1ccc(F)cc1<mask_1:2> | 4 | 3 | 2 | (CCN | 2 | O=C(C1CCCCC1)Nc1ccc(F)cc1 | O=C(CCN1CCCCC1)Nc1ccc(F)cc1 | (C |
<|startoftext|><L>O=C(CCN<mask_1:3>CCCCC1)Nc1ccc(F)cc1<mask_1:3> | 1 | 7 | 3 | 1 | 3 | O=C(CCNC1CCCCCC1)Nc1ccc(F)cc1 | O=C(CCN1CCCCC1)Nc1ccc(F)cc1 | C1C |
<|startoftext|><L>O=C(CCN1CCCCC1)Nc1ccc<mask_1:1>c1<mask_1:1> | 4 | 21 | 1 | (F)c | 1 | O=C(CCN1CCCCC1)Nc1ccccc1 | O=C(CCN1CCCCC1)Nc1ccc(F)cc1 | c |
<|startoftext|><L>O=C(CCN1CCCCC1<mask_1:1>)Nc1ccc(F)cc1<mask_1:1> | 0 | 14 | 1 | 1 | O=C(CCN1CCCCC1F)Nc1ccc(F)cc1 | O=C(CCN1CCCCC1)Nc1ccc(F)cc1 | F |
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<|startoftext|><L><mask_1:4>C(CCN1CCCCC1)Nc1ccc(F)cc1<mask_1:4> | 2 | 0 | 4 | O= | 4 | O=C=C(CCN1CCCCC1)Nc1ccc(F)cc1 | O=C(CCN1CCCCC1)Nc1ccc(F)cc1 | O=C= |
<|startoftext|><L>O=C<mask_1:1>(CCN1CCCCC1)Nc1ccc(F)cc1<mask_1:1> | 0 | 3 | 1 | 1 | O=CC(CCN1CCCCC1)Nc1ccc(F)cc1 | O=C(CCN1CCCCC1)Nc1ccc(F)cc1 | C |
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<|startoftext|><L>O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc<mask_1:5>N1<mask_1:5> | 1 | 36 | 5 | 2 | 5 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2CCCCN1 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | 2CCCC |
<|startoftext|><L>O=<mask_1:5>CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1<mask_1:5> | 2 | 2 | 5 | C1 | 5 | O=C1CCCCCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | C1CCC |
<|startoftext|><L>O=C<mask_1:3>(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1<mask_1:3> | 4 | 3 | 3 | 1CCN | 3 | O=C1CN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | 1CN |
<|startoftext|><L>O=C1CCN(Cc2ncnn<mask_1:2>-c2ccccc2)c2ccc(F)cc2N1<mask_1:2> | 1 | 15 | 2 | 2 | 2 | O=C1CCN(Cc2ncnn2C-c2ccccc2)c2ccc(F)cc2N1 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | 2C |
<|startoftext|><L>O=C1CCN(Cc2ncnn2-c2ccc<mask_1:4>2ccc(F)cc2N1<mask_1:4> | 5 | 22 | 4 | cc2)c | 4 | O=C1CCN(Cc2ncnn2-c2cccs2)c2ccc(F)cc2N1 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | s2)c |
<|startoftext|><L>O=<mask_1:4>(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1<mask_1:4> | 5 | 2 | 4 | C1CCN | 4 | O=C1CN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | C1CN |
<|startoftext|><L>O=C<mask_1:3>Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1<mask_1:3> | 5 | 3 | 3 | 1CCN( | 3 | O=C1N(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | 1N( |
<|startoftext|><L><mask_1:2>CN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1<mask_1:2> | 5 | 0 | 2 | O=C1C | 2 | C1CN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | C1 |
<|startoftext|><L>O=C1C<mask_1:1>Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1<mask_1:1> | 3 | 5 | 1 | CN( | 1 | O=C1C(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | ( |
<|startoftext|><L>O=C1CCN(Cc2ncn<mask_1:2>2-c2ccccc2)c2ccc(F)cc2N1<mask_1:2> | 1 | 14 | 2 | n | 2 | O=C1CCN(Cc2ncncc2-c2ccccc2)c2ccc(F)cc2N1 | O=C1CCN(Cc2ncnn2-c2ccccc2)c2ccc(F)cc2N1 | cc |
<|startoftext|><L>CC(C<mask_1:8>)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1<mask_1:8> | 3 | 4 | 8 | )(O | 9 | CC(C)(C)NC(=O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | )(C)NC(=O |
<|startoftext|><L>CC(C<mask_1:9>1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1<mask_1:9> | 10 | 4 | 9 | )(O)[C@@H] | 9 | CC(C)OC[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | )OC[C@@H] |
<|startoftext|><L>CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2C<mask_1:3>3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1<mask_1:3> | 1 | 33 | 3 | C | 3 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CCCC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | CCC |
<|startoftext|><L>CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(C<mask_1:9>CO2)O1<mask_1:9> | 10 | 54 | 9 | l)cc4)CC3) | 10 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | l)cc4)CC3) |
<|startoftext|><L>CC(C)(O)[C@@<mask_1:6>](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1<mask_1:6> | 8 | 12 | 6 | H]1CC[C@ | 6 | CC(C)(O)[C@@H]1C[C](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | H]1C[C |
<|startoftext|><L>CC(C)(O<mask_1:3>[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1<mask_1:3> | 1 | 7 | 3 | ) | 3 | CC(C)(O)CC[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | )CC |
<|startoftext|><L>C<mask_1:2>@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1<mask_1:2> | 10 | 1 | 2 | C(C)(O)[C@ | 2 | C[C@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | [C |
<|startoftext|><L>CC(C)(O<mask_1:10>1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1<mask_1:10> | 7 | 7 | 10 | )[C@@H] | 10 | CC(C)(O)[C@H](O)C1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | )[C@H](O)C |
<|startoftext|><L>CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4cc<mask_1:6>4)CC3)CO2)O1<mask_1:6> | 7 | 51 | 6 | c(Cl)cc | 6 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(F)cc4)CC3)CO2)O1 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | c(F)cc |
<|startoftext|><L>CC(C)(O)[C@@H]1CC[C@](C)(<mask_1:2>C3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1<mask_1:2> | 8 | 25 | 2 | [C@@H]2C | 2 | CC(C)(O)[C@@H]1CC[C@](C)(C2C3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CSc4ccc(Cl)cc4)CC3)CO2)O1 | C2 |
<|startoftext|><L>CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1<mask_1:2>1F<mask_1:2> | 5 | 48 | 2 | ccccc | 2 | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1sc1F | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | sc |
<|startoftext|><L>CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2<mask_1:7>cc1Cc1ccccc1F<mask_1:7> | 4 | 38 | 7 | =O)c | 7 | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(I)cc1Cc1ccccc1F | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | =O)c(I) |
<|startoftext|><L>CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1cccc<mask_1:4>1F<mask_1:4> | 1 | 52 | 4 | c | 4 | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1cccc(F)c1F | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | (F)c |
<|startoftext|><L>CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C<mask_1:4>c1Cc1ccccc1F<mask_1:4> | 6 | 37 | 4 | 2=O)cc | 4 | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1Cc1ccccc1F | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | 2=O) |
<|startoftext|><L>CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1<mask_1:7>c1ccccc1F<mask_1:7> | 1 | 45 | 7 | C | 7 | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)Nc1ccccc1F | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | OC(=O)N |
<|startoftext|><L>CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1cccc<mask_1:7>1F<mask_1:7> | 1 | 52 | 7 | c | 7 | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1cccc(C(F)F)1F | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | (C(F)F) |
<|startoftext|><L>CCOc1cc(/C=C<mask_1:2>NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F<mask_1:2> | 7 | 12 | 2 | 2/C(=O) | 2 | CCOc1cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | 2/ |
<|startoftext|><L>CCOc1cc(/C=C2/C(=O)NC(=S)<mask_1:8>cccc3)C2=O)ccc1Cc1ccccc1F<mask_1:8> | 5 | 25 | 8 | N(c3c | 8 | CCOc1cc(/C=C2/C(=O)NC(=S)N(CCCc3ccccc3)C2=O)ccc1Cc1ccccc1F | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | N(CCCc3c |
<|startoftext|><L>CCOc1cc(/C=C<mask_1:6>O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F<mask_1:6> | 5 | 12 | 6 | 2/C(= | 6 | CCOc1cc(/C=C2\SC(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | 2\SC(= |
<|startoftext|><L>CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C<mask_1:3>c1Cc1ccccc1F<mask_1:3> | 6 | 37 | 3 | 2=O)cc | 4 | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1Cc1ccccc1F | CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F | 2=O) |
<|startoftext|><L>O=C(Cc1nc2scc(-c3ccccc3)c2c(=O<mask_1:4>)N1CCOCC1<mask_1:4> | 6 | 30 | 4 | )[nH]1 | 4 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)n1O)N1CCOCC1 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | )n1O |
<|startoftext|><L>O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)<mask_1:4>1CCOCC1<mask_1:4> | 1 | 37 | 4 | N | 4 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)NCCN1CCOCC1 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | NCCN |
<|startoftext|><L>O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[<mask_1:6>]1)N1CCOCC1<mask_1:6> | 2 | 32 | 6 | nH | 6 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH][nH]1)N1CCOCC1 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | nH][nH |
<|startoftext|><L>O=C(Cc1nc2scc(-c<mask_1:5>3)c2c(=O)[nH]1)N1CCOCC1<mask_1:5> | 6 | 16 | 5 | 3ccccc | 5 | O=C(Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CCOCC1 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | 3cccs |
<|startoftext|><L>O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N<mask_1:6>CCOCC1<mask_1:6> | 1 | 38 | 6 | 1 | 6 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)NCCCN1CCCOCC1 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | CCCN1C |
<|startoftext|><L>O=C(Cc1nc2scc(<mask_1:6>ccc3)c2c(=O)[nH]1)N1CCOCC1<mask_1:6> | 5 | 14 | 6 | -c3cc | 6 | O=C(Cc1nc2scc(COc3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | COc3cc |
<|startoftext|><L>O=C<mask_1:6>c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1<mask_1:6> | 2 | 3 | 6 | (C | 6 | O=C(/C=C\c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | (/C=C\ |
<|startoftext|><L>O=C(Cc1nc2scc(-c3cccc<mask_1:3>c3)c2c(=O)[nH]1)N1CCOCC1<mask_1:3> | 0 | 21 | 3 | 3 | O=C(Cc1nc2scc(-c3cccc(F)c3)c2c(=O)[nH]1)N1CCOCC1 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | (F) |
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<|startoftext|><L>O=C(C<mask_1:4>c2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1<mask_1:4> | 3 | 5 | 4 | c1n | 4 | O=C(CCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | Cc1n |
<|startoftext|><L>O=C(Cc1nc2<mask_1:4>(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1<mask_1:4> | 3 | 10 | 4 | scc | 4 | O=C(Cc1nc2cccc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 | cccc |
<|startoftext|><L>C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1<mask_1:4>n2cncn2)cc1<mask_1:4> | 5 | 47 | 4 | ccc(- | 4 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(n2cncn2)cc1 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | ccc( |
<|startoftext|><L>C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c<mask_1:9>c(-n2cncn2)cc1<mask_1:9> | 6 | 43 | 9 | 1)c1cc | 9 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C(=O)c1c(-n2cncn2)cc1 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | 1)C(=O)c1 |
<|startoftext|><L>C[C@H](NC(=O)c1cccc<mask_1:4>=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1<mask_1:4> | 7 | 19 | 4 | (S(=O)( | 4 | C[C@H](NC(=O)c1cccc(NC(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | (NC( |
<|startoftext|><L>C<mask_1:1>NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1<mask_1:1> | 6 | 1 | 1 | [C@H]( | 1 | C(NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | ( |
<|startoftext|><L>C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cc<mask_1:7>)c1)c1ccc(-n2cncn2)cc1<mask_1:7> | 4 | 37 | 7 | ccc2 | 7 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1)c1ccc(-n2cncn2)cc1 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | c(F)cc2 |
<|startoftext|><L>C[C@H](NC(=O)c1cccc(S<mask_1:3>=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1<mask_1:3> | 5 | 21 | 3 | (=O)( | 3 | C[C@H](NC(=O)c1cccc(SCC(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | CC( |
<|startoftext|><L>C[C@H](NC<mask_1:3>O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1<mask_1:3> | 2 | 9 | 3 | (= | 3 | C[C@H](NCC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | C(= |
<|startoftext|><L>C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)<mask_1:5>)c1)c1ccc(-n2cncn2)cc1<mask_1:5> | 8 | 33 | 5 | c2ccccc2 | 5 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CC2)c1)c1ccc(-n2cncn2)cc1 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | C2CC2 |
<|startoftext|><L>C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c<mask_1:3>c1ccc(-n2cncn2)cc1<mask_1:3> | 2 | 43 | 3 | 1) | 3 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1ccc(-n2cncn2)cc1 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | 1)C |
<|startoftext|><L>C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1<mask_1:5>1ccc(-n2cncn2)cc1<mask_1:5> | 2 | 44 | 5 | )c | 5 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C#Cc1ccc(-n2cncn2)cc1 | C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 | )C#Cc |
<|startoftext|><L>C<mask_1:4>ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1<mask_1:4> | 2 | 1 | 4 | c1 | 4 | COCc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | OCc1 |
<|startoftext|><L>Cc1ccsc1-c1ncc<mask_1:5>CCc1nc(-c2cccnc2)n[nH]1<mask_1:5> | 2 | 14 | 5 | n1 | 5 | Cc1ccsc1-c1nccnc1NCCCc1nc(-c2cccnc2)n[nH]1 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | nc1NC |
<|startoftext|><L>Cc1ccsc1-c1nccn1CCc1nc(-<mask_1:2>c2cccnc2)n[nH]1<mask_1:2> | 0 | 24 | 2 | 2 | Cc1ccsc1-c1nccn1CCc1nc(-CCc2cccnc2)n[nH]1 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | CC |
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<|startoftext|><L>Cc1ccsc1-c1nccn1<mask_1:5>1nc(-c2cccnc2)n[nH]1<mask_1:5> | 3 | 16 | 5 | CCc | 5 | Cc1ccsc1-c1nccn1CCCOc1nc(-c2cccnc2)n[nH]1 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | CCCOc |
<|startoftext|><L>Cc1ccsc1-c1nccn1CC<mask_1:1>c1nc(-c2cccnc2)n[nH]1<mask_1:1> | 0 | 18 | 1 | 1 | Cc1ccsc1-c1nccn1CCCc1nc(-c2cccnc2)n[nH]1 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | C |
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<|startoftext|><L>Cc1ccsc1-c1nccn1C<mask_1:5>nc(-c2cccnc2)n[nH]1<mask_1:5> | 3 | 17 | 5 | Cc1 | 5 | Cc1ccsc1-c1nccn1CCCSc1nc(-c2cccnc2)n[nH]1 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | CCSc1 |
<|startoftext|><L>Cc1ccsc1-c1nccn1CCc1nc(-c2<mask_1:3>cnc2)n[nH]1<mask_1:3> | 2 | 26 | 3 | cc | 4 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccccnc2)n[nH]1 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | cccc |
<|startoftext|><L>Cc1ccsc1-c1nccn1CCc1nc(-c2<mask_1:4>nc2)n[nH]1<mask_1:4> | 3 | 26 | 4 | ccc | 3 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | ccc |
<|startoftext|><L>Cc1ccsc1-c1nccn1CCc1nc(-c2<mask_1:2>cccnc2)n[nH]1<mask_1:2> | 0 | 26 | 2 | 2 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccccnc2)n[nH]1 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | cc |
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<|startoftext|><L>C<mask_1:5>c1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1<mask_1:5> | 0 | 1 | 5 | 5 | CC(=O)c1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | Cc1ccsc1-c1nccn1CCc1nc(-c2cccnc2)n[nH]1 | C(=O) |
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<|startoftext|><L>O=C(COc1ccc(F)cc1)Nc1ccc(<mask_1:2>c2nc3ccccc3[nH]2)cc1<mask_1:2> | 1 | 25 | 2 | - | 2 | O=C(COc1ccc(F)cc1)Nc1ccc(OCc2nc3ccccc3[nH]2)cc1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | OC |
<|startoftext|><L>O=C(COc1cc<mask_1:6>F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1<mask_1:6> | 2 | 10 | 6 | c( | 6 | O=C(COc1ccc(C(F)F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | c(C(F) |
<|startoftext|><L>O=C(COc1ccc(F)cc1<mask_1:2>Nc1ccc(-c2nc3ccccc3[nH]2)cc1<mask_1:2> | 1 | 17 | 2 | ) | 2 | O=C(COc1ccc(F)cc1F)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | F) |
<|startoftext|><L>O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccc<mask_1:2>c3[nH]2)cc1<mask_1:2> | 1 | 34 | 2 | c | 2 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3cccc-c3[nH]2)cc1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | c- |
<|startoftext|><L>O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3cc<mask_1:1>c3[nH]2)cc1<mask_1:1> | 2 | 33 | 1 | cc | 1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccsc3[nH]2)cc1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | s |
<|startoftext|><L>O=C(COc1ccc<mask_1:5>c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1<mask_1:5> | 4 | 11 | 5 | (F)c | 5 | O=C(COc1cccc(Br)c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | c(Br) |
<|startoftext|><L>O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3<mask_1:2>[nH]2)cc1<mask_1:2> | 0 | 37 | 2 | 2 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3nc[nH]2)cc1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | nc |
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<|startoftext|><L>O=C(COc1ccc<mask_1:4>)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1<mask_1:4> | 2 | 11 | 4 | (F | 4 | O=C(COc1ccc(C=O)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | (C=O |
<|startoftext|><L><mask_1:1>C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1<mask_1:1> | 2 | 0 | 1 | O= | 1 | CC(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | C |
<|startoftext|><L>O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3c<mask_1:5>nH]2)cc1<mask_1:5> | 6 | 32 | 5 | cccc3[ | 5 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccsc3[nH]2)cc1 | O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 | csc3[ |