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stringlengths 49
261
| first_mask_count
int64 0
16
| first_start_index
int64 0
198
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
29
| generated_smiles
stringlengths 12
233
| original_smiles
stringlengths 12
223
| generated_tokens
stringlengths 0
29
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>O=C1c2cccc<mask_1:4>c2[C@]2(C(=O)O)O[C@@]12c1ccccc1<mask_1:4> | 0 | 10 | 4 | 4 | O=C1c2cccc(Cl)c2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | (Cl) |
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<|startoftext|><L>O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]<mask_1:6>cccc1<mask_1:6> | 5 | 31 | 6 | 12c1c | 6 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12Cc1ccccc1 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | 12Cc1c |
<|startoftext|><L>O=C1c2ccccc2[C@]2(C<mask_1:6>=O)O)O[C@@]12c1ccccc1<mask_1:6> | 1 | 19 | 6 | ( | 6 | O=C1c2ccccc2[C@]2(C[C@](C=O)O)O[C@@]12c1ccccc1 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | [C@](C |
<|startoftext|><L>O=C1c2ccccc2[C@]2(C<mask_1:1>O)O[C@@]12c1ccccc1<mask_1:1> | 4 | 19 | 1 | (=O) | 1 | O=C1c2ccccc2[C@]2(C=O)O[C@@]12c1ccccc1 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | = |
<|startoftext|><L>O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]1<mask_1:3>1ccccc1<mask_1:3> | 2 | 32 | 3 | 2c | 3 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12Cc1ccccc1 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | 2Cc |
<|startoftext|><L>O=C1c2ccccc2[C@]2(C(<mask_1:5>O)O[C@@]12c1ccccc1<mask_1:5> | 3 | 20 | 5 | =O) | 5 | O=C1c2ccccc2[C@]2(C(=O)N=O)O[C@@]12c1ccccc1 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | =O)N= |
<|startoftext|><L>O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1c<mask_1:5>cc1<mask_1:5> | 2 | 36 | 5 | cc | 5 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccc(O)cc1 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | cc(O) |
<|startoftext|><L>O=C1c2ccccc2[C@]2(C<mask_1:4>O)O)O[C@@]12c1ccccc1<mask_1:4> | 2 | 19 | 4 | (= | 4 | O=C1c2ccccc2[C@]2(CCC(=O)O)O[C@@]12c1ccccc1 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | CC(= |
<|startoftext|><L>O=C1c2ccccc2[C@]<mask_1:3>C(=O)O)O[C@@]12c1ccccc1<mask_1:3> | 2 | 16 | 3 | 2( | 3 | O=C1c2ccccc2[C@]2(CC(=O)O)O[C@@]12c1ccccc1 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | 2(C |
<|startoftext|><L>O=C1c2cccc<mask_1:4>]2(C(=O)O)O[C@@]12c1ccccc1<mask_1:4> | 5 | 10 | 4 | c2[C@ | 4 | O=C1c2ccccc2[C]2(C(=O)O)O[C@@]12c1ccccc1 | O=C1c2ccccc2[C@]2(C(=O)O)O[C@@]12c1ccccc1 | c2[C |
<|startoftext|><L>C/C(=<mask_1:1>1CCCCC1)c1ccc2c(c1)CCC(=O)N2<mask_1:1> | 3 | 5 | 1 | N/N | 1 | C/C(=C1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | C |
<|startoftext|><L>C/C(=N<mask_1:4>/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2<mask_1:4> | 0 | 6 | 4 | 4 | C/C(=N/OCC/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | /OCC |
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<|startoftext|><L>C/C(=N/N<mask_1:3>CC1)c1ccc2c(c1)CCC(=O)N2<mask_1:3> | 4 | 8 | 3 | 1CCC | 3 | C/C(=N/NC1CCC1)c1ccc2c(c1)CCC(=O)N2 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | C1C |
<|startoftext|><L>C/C(=N/N1CCCCC1)c1ccc2c(c1)<mask_1:3>=O)N2<mask_1:3> | 4 | 27 | 3 | CCC( | 3 | C/C(=N/N1CCCCC1)c1ccc2c(c1)NC(=O)N2 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | NC( |
<|startoftext|><L>C/C(=N/N1CCCCC1)<mask_1:2>2c(c1)CCC(=O)N2<mask_1:2> | 5 | 16 | 2 | c1ccc | 2 | C/C(=N/N1CCCCC1)c12c(c1)CCC(=O)N2 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | c1 |
<|startoftext|><L>C<mask_1:4>/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2<mask_1:4> | 0 | 1 | 4 | 4 | C/C=C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | /C=C |
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<|startoftext|><L>C/C(=N/N1CCCC<mask_1:3>1)c1ccc2c(c1)CCC(=O)N2<mask_1:3> | 1 | 13 | 3 | C | 3 | C/C(=N/N1CCCCCCC1)c1ccc2c(c1)CCC(=O)N2 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | CCC |
<|startoftext|><L>C/<mask_1:2>N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2<mask_1:2> | 3 | 2 | 2 | C(= | 2 | C/C(N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | C( |
<|startoftext|><L>C/C<mask_1:4>N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2<mask_1:4> | 2 | 3 | 4 | (= | 4 | C/C(=N\N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | (=N\ |
<|startoftext|><L>C/C(=N/N1CCCCC1)c1ccc2c(c1<mask_1:3>CCC(=O)N2<mask_1:3> | 1 | 26 | 3 | ) | 3 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCCCC(=O)N2 | C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 | )CC |
<|startoftext|><L>Cc1cc(NC(=O)C<mask_1:5>CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1<mask_1:5> | 7 | 13 | 5 | N[C@H]2 | 5 | Cc1cc(NC(=O)COCCN2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | OCCN2 |
<|startoftext|><L>Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc<mask_1:7>n1<mask_1:7> | 6 | 41 | 7 | 2)n(C) | 7 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)nc(C)n1 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | 2)nc(C) |
<|startoftext|><L>Cc1cc(NC(=O)CN[<mask_1:7>H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1<mask_1:7> | 2 | 15 | 7 | C@ | 7 | Cc1cc(NC(=O)CN[C@H][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | C@H][C@ |
<|startoftext|><L>Cc1cc(NC(=O)C<mask_1:4>2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1<mask_1:4> | 6 | 13 | 4 | N[C@H] | 4 | Cc1cc(NC(=O)CNCCN2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | NCCN |
<|startoftext|><L>Cc1cc(<mask_1:3>CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1<mask_1:3> | 6 | 6 | 3 | NC(=O) | 3 | Cc1cc(SCCCN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | SCC |
<|startoftext|><L>Cc1<mask_1:7>C(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1<mask_1:7> | 4 | 3 | 7 | cc(N | 7 | Cc1cc(N(C)C(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | cc(N(C) |
<|startoftext|><L>Cc1cc(NC(=O)CN[C@H]2CCO[<mask_1:1>]2c2ccc(Cl)cc2)n(C)n1<mask_1:1> | 4 | 24 | 1 | C@@H | 1 | Cc1cc(NC(=O)CN[C@H]2CCO[C]2c2ccc(Cl)cc2)n(C)n1 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | C |
<|startoftext|><L>Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n<mask_1:5>)n1<mask_1:5> | 2 | 44 | 5 | (C | 5 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(CCCO)n1 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | (CCCO |
<|startoftext|><L>Cc1cc(NC(=O<mask_1:1>[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1<mask_1:1> | 3 | 11 | 1 | )CN | 1 | Cc1cc(NC(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | ) |
<|startoftext|><L>Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(<mask_1:5>)n(C)n1<mask_1:5> | 6 | 36 | 5 | Cl)cc2 | 5 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(F)cc2)n(C)n1 | Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1 | F)cc2 |
<|startoftext|><L><mask_1:6>Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1<mask_1:6> | 0 | 0 | 6 | 6 | CC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | CC(=O) |
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<|startoftext|><L>Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)<mask_1:7>)cc1<mask_1:7> | 6 | 39 | 7 | ccc2Cl | 7 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2C=O)cc1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | ccc2C=O |
<|startoftext|><L>Cc1ccc(NS(<mask_1:2>)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1<mask_1:2> | 6 | 10 | 2 | =O)(=O | 2 | Cc1ccc(NS(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | =O |
<|startoftext|><L>Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)<mask_1:1>2Cl)cc1<mask_1:1> | 3 | 39 | 1 | ccc | 1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)s2Cl)cc1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | s |
<|startoftext|><L>Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3C<mask_1:5>c2Cl)cc1<mask_1:5> | 7 | 34 | 5 | CCC3)cc | 5 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCC3)sc2Cl)cc1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | CC3)s |
<|startoftext|><L>Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc<mask_1:7>c1<mask_1:7> | 5 | 42 | 7 | 2Cl)c | 8 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)c(C)c1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | 2Cl)c(C) |
<|startoftext|><L>Cc1ccc(NS(=O)(=O)c2cc(C(<mask_1:7>CCCN3CCCC3)ccc2Cl)cc1<mask_1:7> | 4 | 24 | 7 | =O)N | 7 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)CCCN3CCCC3)ccc2Cl)cc1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | =O)N(C) |
<|startoftext|><L>Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC<mask_1:3>c2Cl)cc1<mask_1:3> | 4 | 37 | 3 | 3)cc | 3 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)sc2Cl)cc1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | 3)s |
<|startoftext|><L>Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)cc<mask_1:5>)cc1<mask_1:5> | 4 | 41 | 5 | c2Cl | 5 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2C#N)cc1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | c2C#N |
<|startoftext|><L>Cc1ccc(NS(=O)(<mask_1:5>=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1<mask_1:5> | 0 | 14 | 5 | 5 | Cc1ccc(NS(=O)(=O)C(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 | =O)C( |
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<|startoftext|><L>Cn1cc(CCN2CCO[C@<mask_1:2>(c3ccccc3)C2)cn1<mask_1:2> | 3 | 16 | 2 | @H] | 2 | Cn1cc(CCN2CCO[C@H](c3ccccc3)C2)cn1 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)cn1 | H] |
<|startoftext|><L>Cn1cc(CCN2CCO[C@@H](c3ccccc<mask_1:4>)C2)cn1<mask_1:4> | 1 | 27 | 4 | 3 | 4 | Cn1cc(CCN2CCO[C@@H](c3ccccc3C#N)C2)cn1 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)cn1 | 3C#N |
<|startoftext|><L>Cn1cc(CCN2CC<mask_1:5>C@@H](c3ccccc3)C2)cn1<mask_1:5> | 2 | 12 | 5 | O[ | 5 | Cn1cc(CCN2CCN(C)[C@@H](c3ccccc3)C2)cn1 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)cn1 | N(C)[ |
<|startoftext|><L>Cn1c<mask_1:3>N2CCO[C@@H](c3ccccc3)C2)cn1<mask_1:3> | 4 | 4 | 3 | c(CC | 3 | Cn1cc(CN2CCO[C@@H](c3ccccc3)C2)cn1 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)cn1 | c(C |
<|startoftext|><L>Cn1cc(CCN2CCO[C@@H]<mask_1:4>c3ccccc3)C2)cn1<mask_1:4> | 1 | 19 | 4 | ( | 4 | Cn1cc(CCN2CCO[C@@H](CSCc3ccccc3)C2)cn1 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)cn1 | (CSC |
<|startoftext|><L>Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2<mask_1:5>)cn1<mask_1:5> | 0 | 31 | 5 | 5 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)c(=O)cn1 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)cn1 | )c(=O |
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<|startoftext|><L>Cn1cc(CCN2CCO[C@@H](c3ccccc<mask_1:4>2)cn1<mask_1:4> | 3 | 27 | 4 | 3)C | 4 | Cn1cc(CCN2CCO[C@@H](c3ccccc3F)C2)cn1 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)cn1 | 3F)C |
<|startoftext|><L>Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2<mask_1:5>n1<mask_1:5> | 2 | 31 | 5 | )c | 5 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)c(C)n1 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)cn1 | )c(C) |
<|startoftext|><L>Cn1cc(CCN2CCO[C@@H](c3ccc<mask_1:4>c3)C2)cn1<mask_1:4> | 1 | 25 | 4 | c | 4 | Cn1cc(CCN2CCO[C@@H](c3ccc(F)cc3)C2)cn1 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)cn1 | (F)c |
<|startoftext|><L>Cn1cc<mask_1:1>CN2CCO[C@@H](c3ccccc3)C2)cn1<mask_1:1> | 2 | 5 | 1 | (C | 1 | Cn1cc(CN2CCO[C@@H](c3ccccc3)C2)cn1 | Cn1cc(CCN2CCO[C@@H](c3ccccc3)C2)cn1 | ( |
<|startoftext|><L>O=C(c1sccc1S(=O)(=O)N<mask_1:6>COCC1)N1CCC(N2CCCCC2)CC1<mask_1:6> | 2 | 21 | 6 | 1C | 6 | O=C(c1sccc1S(=O)(=O)NCCCN1CCOCC1)N1CCC(N2CCCCC2)CC1 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | CCCN1C |
<|startoftext|><L>O=C(c1sccc1S(=O)(=O)N1CC<mask_1:4>N1CCC(N2CCCCC2)CC1<mask_1:4> | 5 | 24 | 4 | OCC1) | 4 | O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC(N2CCCCC2)CC1 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | CC1) |
<|startoftext|><L>O=C(c1sccc1S(=O)(=O)N1CC<mask_1:7>CC1)N1CCC(N2CCCCC2)CC1<mask_1:7> | 1 | 24 | 7 | O | 7 | O=C(c1sccc1S(=O)(=O)N1CCCC(CO)CCC1)N1CCC(N2CCCCC2)CC1 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | CC(CO)C |
<|startoftext|><L>O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2C<mask_1:4>CCCC2)CC1<mask_1:4> | 0 | 38 | 4 | 4 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2C(=O)CCCC2)CC1 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | (=O) |
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<|startoftext|><L>O=C(c1sccc1<mask_1:4>O)N1CCOCC1)N1CCC(N2CCCCC2)CC1<mask_1:4> | 7 | 11 | 4 | S(=O)(= | 4 | O=C(c1sccc1NC(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | NC(= |
<|startoftext|><L>O=C(c1<mask_1:5>cc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1<mask_1:5> | 2 | 6 | 5 | sc | 5 | O=C(c1[nH]ccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | [nH]c |
<|startoftext|><L>O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1C<mask_1:3>CCCCC2)CC1<mask_1:3> | 5 | 32 | 3 | CC(N2 | 3 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CC2(CCCCC2)CC1 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | C2( |
<|startoftext|><L>O=C(c1sccc1<mask_1:5>O)N1CCOCC1)N1CCC(N2CCCCC2)CC1<mask_1:5> | 7 | 11 | 5 | S(=O)(= | 5 | O=C(c1sccc1SCC(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | SCC(= |
<|startoftext|><L>O=C(c1sccc1S<mask_1:5>(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1<mask_1:5> | 0 | 12 | 5 | 5 | O=C(c1sccc1S(=O)S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | (=O)S |
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<|startoftext|><L>O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(<mask_1:3>2CCCCC2)CC1<mask_1:3> | 1 | 35 | 3 | N | 3 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(CCN2CCCCC2)CC1 | O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 | CCN |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1C<mask_1:1>N(C(=O)CCCn2cncn2)C[C@@H]1O<mask_1:1> | 0 | 23 | 1 | 1 | CN(C)S(=O)(=O)C[C@@H]1CCN(C(=O)CCCn2cncn2)C[C@@H]1O | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | C |
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<|startoftext|><L>CN(C)S(=O)(=O<mask_1:7>@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O<mask_1:7> | 4 | 13 | 7 | )C[C | 7 | CN(C)S(=O)(=O)N(C)[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | )N(C)[C |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C<mask_1:3>[C@@H]1O<mask_1:3> | 0 | 42 | 3 | 3 | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)CCOC[C@@H]1O | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | COC |
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<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@<mask_1:1>]1O<mask_1:1> | 2 | 45 | 1 | @H | 1 | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1O | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | H |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1CN(C<mask_1:5>O)CCCn2cncn2)C[C@@H]1O<mask_1:5> | 2 | 26 | 5 | (= | 5 | CN(C)S(=O)(=O)C[C@@H]1CN(CCNC(=O)CCCn2cncn2)C[C@@H]1O | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | CNC(= |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]<mask_1:2>O<mask_1:2> | 1 | 48 | 2 | 1 | 2 | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1CO | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | 1C |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1CN(C<mask_1:5>O)CCCn2cncn2)C[C@@H]1O<mask_1:5> | 2 | 26 | 5 | (= | 5 | CN(C)S(=O)(=O)C[C@@H]1CN(CCNC(=O)CCCn2cncn2)C[C@@H]1O | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | CNC(= |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1CN(<mask_1:7>O)CCCn2cncn2)C[C@@H]1O<mask_1:7> | 3 | 25 | 7 | C(= | 7 | CN(C)S(=O)(=O)C[C@@H]1CN(S(=O)(=O)CCCn2cncn2)C[C@@H]1O | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | S(=O)(= |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)C<mask_1:7>Cn2cncn2)C[C@@H]1O<mask_1:7> | 1 | 31 | 7 | C | 7 | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCNC(=O)Cn2cncn2)C[C@@H]1O | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | CNC(=O) |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]<mask_1:7>O<mask_1:7> | 1 | 48 | 7 | 1 | 7 | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1NC(=O)O | CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O | 1NC(=O) |
<|startoftext|><L>Cc1cc(=O)c(O)c(C2(CC(<mask_1:7>H](O)CN3CCN(C)CC3)CCSCC2)o1<mask_1:7> | 8 | 21 | 7 | =O)NC[C@ | 7 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[CH](O)CN3CCN(C)CC3)CCSCC2)o1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | =O)NC[C |
<|startoftext|><L>Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CC<mask_1:1>C2)o1<mask_1:1> | 2 | 49 | 1 | SC | 1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCCC2)o1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | C |
<|startoftext|><L>Cc1cc(=O)c(O)c(C2(CC(=<mask_1:6>H](O)CN3CCN(C)CC3)CCSCC2)o1<mask_1:6> | 7 | 22 | 6 | O)NC[C@ | 6 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[CH](O)CN3CCN(C)CC3)CCSCC2)o1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | O)NC[C |
<|startoftext|><L>Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3C<mask_1:5>)CCSCC2)o1<mask_1:5> | 8 | 38 | 5 | CN(C)CC3 | 5 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCOCC3)CCSCC2)o1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | COCC3 |
<|startoftext|><L>Cc1cc(=O)c(O)c(C2(<mask_1:4>=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1<mask_1:4> | 3 | 18 | 4 | CC( | 4 | Cc1cc(=O)c(O)c(C2(CCC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | CCC( |
<|startoftext|><L>Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(<mask_1:2>)CC3)CCSCC2)o1<mask_1:2> | 1 | 41 | 2 | C | 2 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(CO)CC3)CCSCC2)o1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | CO |
<|startoftext|><L>Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](<mask_1:7>N3CCN(C)CC3)CCSCC2)o1<mask_1:7> | 3 | 32 | 7 | O)C | 7 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](C)C(=O)N3CCN(C)CC3)CCSCC2)o1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | C)C(=O) |
<|startoftext|><L>Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H]<mask_1:5>CN3CCN(C)CC3)CCSCC2)o1<mask_1:5> | 3 | 31 | 5 | (O) | 5 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CCCN3CCN(C)CC3)CCSCC2)o1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | (O)CC |
<|startoftext|><L>Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)<mask_1:5>CCSCC2)o1<mask_1:5> | 0 | 47 | 5 | 5 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCOCCCCSCC2)o1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | CCOCC |
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<|startoftext|><L><mask_1:7>c(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1<mask_1:7> | 4 | 0 | 7 | Cc1c | 7 | CCCCc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)CN3CCN(C)CC3)CCSCC2)o1 | CCCCc1c |
<|startoftext|><L>COc1ccccc1C(=O)Nc1ccc([C@H<mask_1:6>O)N(Cc3scnc3C)[C@@H]2CO)cc1<mask_1:6> | 7 | 26 | 6 | ]2OCC(= | 6 | COc1ccccc1C(=O)Nc1ccc([C@H]2OC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | ]2OC(= |
<|startoftext|><L>COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]<mask_1:3>1<mask_1:3> | 6 | 53 | 3 | 2CO)cc | 3 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2C)1 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | 2C) |
<|startoftext|><L>COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)<mask_1:6>nc3C)[C@@H]2CO)cc1<mask_1:6> | 7 | 35 | 6 | N(Cc3sc | 6 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(c3nonc3C)[C@@H]2CO)cc1 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | N(c3no |
<|startoftext|><L>COc1ccccc1C(=O)Nc1ccc([C<mask_1:7>O)N(Cc3scnc3C)[C@@H]2CO)cc1<mask_1:7> | 9 | 24 | 7 | @H]2OCC(= | 7 | COc1ccccc1C(=O)Nc1ccc([C@H]2C(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | @H]2C(= |
<|startoftext|><L><mask_1:9>1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1<mask_1:9> | 3 | 0 | 9 | COc | 9 | O=C(O)COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | O=C(O)COc |
<|startoftext|><L>CO<mask_1:6>cccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1<mask_1:6> | 3 | 2 | 6 | c1c | 6 | COc1c(C)cccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | c1c(C) |
<|startoftext|><L>COc1ccccc<mask_1:8>(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1<mask_1:8> | 2 | 9 | 8 | 1C | 8 | COc1ccccc1/C=C/CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | 1/C=C/CC |
<|startoftext|><L>COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(<mask_1:5>)N(Cc3scnc3C)[C@@H]2CO)cc1<mask_1:5> | 2 | 32 | 5 | =O | 5 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(C(C)C)N(Cc3scnc3C)[C@@H]2CO)cc1 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | C(C)C |
<|startoftext|><L>COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(<mask_1:2>c3scnc3C)[C@@H]2CO)cc1<mask_1:2> | 6 | 32 | 2 | =O)N(C | 2 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=Cc3scnc3C)[C@@H]2CO)cc1 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | =C |
<|startoftext|><L>COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc<mask_1:2>C)[C@@H]2CO)cc1<mask_1:2> | 1 | 44 | 2 | 3 | 2 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3CC)[C@@H]2CO)cc1 | COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1 | 3C |
<|startoftext|><L>C[C@@H]1CN(Cc2ccccc2CNC(=O)c2c<mask_1:7>[C@@H](C)O1<mask_1:7> | 6 | 30 | 7 | ccs2)C | 7 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccccn2)C[C@@H](C)O1 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | cccn2)C |
<|startoftext|><L>C[<mask_1:2>1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1<mask_1:2> | 5 | 2 | 2 | C@@H] | 2 | C[C]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | C] |
<|startoftext|><L>C[C@@H]1CN(Cc2c<mask_1:2>c2CNC(=O)c2cccs2)C[C@@H](C)O1<mask_1:2> | 3 | 15 | 2 | ccc | 2 | C[C@@H]1CN(Cc2ccoc2CNC(=O)c2cccs2)C[C@@H](C)O1 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | co |
<|startoftext|><L>C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H]<mask_1:5>O1<mask_1:5> | 3 | 42 | 5 | (C) | 5 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)CCO1 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | (C)CC |
<|startoftext|><L>C[C@@H]1CN(Cc2ccccc<mask_1:6>=O)c2cccs2)C[C@@H](C)O1<mask_1:6> | 5 | 19 | 6 | 2CNC( | 6 | C[C@@H]1CN(Cc2ccccc2)N(C(=O)c2cccs2)C[C@@H](C)O1 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | 2)N(C( |
<|startoftext|><L>C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C<mask_1:5>C)O1<mask_1:5> | 7 | 36 | 5 | [C@@H]( | 5 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@](C)O1 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | [C@]( |
<|startoftext|><L>C[C@@H]1CN(Cc<mask_1:7>ccc2CNC(=O)c2cccs2)C[C@@H](C)O1<mask_1:7> | 3 | 13 | 7 | 2cc | 7 | C[C@@H]1CN(Cc2cc(Cl)ccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | 2cc(Cl) |
<|startoftext|><L>C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2<mask_1:4>[C@@H](C)O1<mask_1:4> | 2 | 34 | 4 | )C | 4 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)CCC[C@@H](C)O1 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | )CCC |
<|startoftext|><L>C[C@@H]1<mask_1:4>N(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1<mask_1:4> | 1 | 8 | 4 | C | 4 | C[C@@H]1C(C)N(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | C(C) |
<|startoftext|><L>C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)<mask_1:7>O1<mask_1:7> | 0 | 45 | 7 | 7 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O[C@@H]O1 | C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 | O[C@@H] |