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stringlengths 49
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| 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
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<|startoftext|><L>CCn1nccc1N1CCC<mask_1:6>S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O<mask_1:6> | 7 | 14 | 6 | [C@H](N | 6 | CCn1nccc1N1CCC[C@H](S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | [C@H]( |
<|startoftext|><L>CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[<mask_1:4>2)C1=O<mask_1:4> | 8 | 44 | 4 | C@H](C)C | 4 | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H]2)C1=O | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | C@H] |
<|startoftext|><L>CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H]<mask_1:5>(C)C2)C1=O<mask_1:5> | 0 | 48 | 5 | 5 | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)CC(C)C2)C1=O | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | (C)CC |
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<|startoftext|><L>CCn1nccc1N1CCC[C@H](<mask_1:1>(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O<mask_1:1> | 6 | 20 | 1 | NS(=O) | 1 | CCn1nccc1N1CCC[C@H](C(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | C |
<|startoftext|><L>CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H<mask_1:7>O[C@H](C)C2)C1=O<mask_1:7> | 4 | 38 | 7 | ](C) | 7 | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)CCCO[C@H](C)C2)C1=O | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | ](C)CCC |
<|startoftext|><L>C<mask_1:4>cc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O<mask_1:4> | 5 | 1 | 4 | Cn1nc | 4 | Cn1cncc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | n1cn |
<|startoftext|><L>CCn1nccc1N1CCC[C@H]<mask_1:6>S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O<mask_1:6> | 2 | 19 | 6 | (N | 6 | CCn1nccc1N1CCC[C@H](N(C)CS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | (N(C)C |
<|startoftext|><L>CCn1nccc1N1CCC[C@H](NS(=O)<mask_1:7>N2C[C@@H](C)O[C@H](C)C2)C1=O<mask_1:7> | 4 | 26 | 7 | (=O) | 7 | CCn1nccc1N1CCC[C@H](NS(=O)(=O)CCCN2C[C@@H](C)O[C@H](C)C2)C1=O | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | (=O)CCC |
<|startoftext|><L>CCn1nccc1N1C<mask_1:2>NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O<mask_1:2> | 8 | 12 | 2 | CC[C@H]( | 2 | CCn1nccc1N1CC(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | C( |
<|startoftext|><L>CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](<mask_1:4>C)O[C@H](C)C2)C1=O<mask_1:4> | 0 | 40 | 4 | 4 | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C(C)C)O[C@H](C)C2)C1=O | CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O | C(C) |
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<|startoftext|><L>C[C@H]1CN(C(=O)c2ccccc2Cl<mask_1:2>C[C@H](C)O1<mask_1:2> | 1 | 25 | 2 | ) | 2 | C[C@H]1CN(C(=O)c2ccccc2Cl)CC[C@H](C)O1 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | )C |
<|startoftext|><L>C[C@H]1CN(C(=O)c2ccccc2<mask_1:3>C@H](C)O1<mask_1:3> | 5 | 23 | 3 | Cl)C[ | 3 | C[C@H]1CN(C(=O)c2ccccc2)C[C@H](C)O1 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | )C[ |
<|startoftext|><L>C[C@H]1CN(C(=O)c2ccccc2Cl)C<mask_1:3>[C@H](C)O1<mask_1:3> | 0 | 27 | 3 | 3 | C[C@H]1CN(C(=O)c2ccccc2Cl)CCCC[C@H](C)O1 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | CCC |
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<|startoftext|><L>C[C@H]1<mask_1:5>C(=O)c2ccccc2Cl)C[C@H](C)O1<mask_1:5> | 3 | 7 | 5 | CN( | 5 | C[C@H]1CN(CCC(=O)c2ccccc2Cl)C[C@H](C)O1 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | CN(CC |
<|startoftext|><L>C[C@H]1CN(C(=O)c2<mask_1:3>c2Cl)C[C@H](C)O1<mask_1:3> | 4 | 17 | 3 | cccc | 3 | C[C@H]1CN(C(=O)c2sccc2Cl)C[C@H](C)O1 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | scc |
<|startoftext|><L>C[C@H]1CN(C(=O)c2cc<mask_1:1>2Cl)C[C@H](C)O1<mask_1:1> | 3 | 19 | 1 | ccc | 1 | C[C@H]1CN(C(=O)c2ccs2Cl)C[C@H](C)O1 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | s |
<|startoftext|><L>C[C@H]1<mask_1:4>CN(C(=O)c2ccccc2Cl)C[C@H](C)O1<mask_1:4> | 0 | 7 | 4 | 4 | C[C@H]1C(C)CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | C(C) |
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<|startoftext|><L>C[C<mask_1:2>1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1<mask_1:2> | 3 | 3 | 2 | @H] | 2 | C[CH]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | H] |
<|startoftext|><L>C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H]<mask_1:5>(C)O1<mask_1:5> | 0 | 32 | 5 | 5 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)CN(C)O1 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | (C)CN |
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<|startoftext|><L>C[C@H]1CN(<mask_1:5>)c2ccccc2Cl)C[C@H](C)O1<mask_1:5> | 4 | 10 | 5 | C(=O | 5 | C[C@H]1CN(CC(=O)c2ccccc2Cl)C[C@H](C)O1 | C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)O1 | CC(=O |
<|startoftext|><L>CC(<mask_1:5>N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O<mask_1:5> | 2 | 3 | 5 | C) | 5 | CC(C)(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | C)(C) |
<|startoftext|><L><mask_1:4>C(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O<mask_1:4> | 1 | 0 | 4 | C | 4 | C(C)C(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | C(C) |
<|startoftext|><L>CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)<mask_1:7>[O-])CC1=O<mask_1:7> | 0 | 46 | 7 | 7 | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c([O-])CC1=O | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | [O-])c( |
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<|startoftext|><L>CC(C)N1C[C@@<mask_1:8>Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O<mask_1:8> | 3 | 12 | 8 | H]( | 8 | CC(C)N1C[C@@H](C(=O)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | H](C(=O) |
<|startoftext|><L>CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc<mask_1:5>](=O)[O-])CC1=O<mask_1:5> | 4 | 37 | 5 | 2[N+ | 4 | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | 2[N+ |
<|startoftext|><L>CC(C)N1C[C@@H](Nc2cc(Cl)c<mask_1:4>(F)(F)F)cc2[N+](=O)[O-])CC1=O<mask_1:4> | 2 | 25 | 4 | (C | 4 | CC(C)N1C[C@@H](Nc2cc(Cl)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1=O | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | (OCC |
<|startoftext|><L>CC(C)N1<mask_1:7>H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O<mask_1:7> | 5 | 7 | 7 | C[C@@ | 7 | CC(C)N1C(C)[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | C(C)[C@ |
<|startoftext|><L>CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])<mask_1:5>=O<mask_1:5> | 3 | 51 | 5 | CC1 | 5 | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCC1C=O | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | CCC1C |
<|startoftext|><L>CC(<mask_1:6>C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O<mask_1:6> | 4 | 3 | 6 | C)N1 | 6 | CC(=O)CN1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | =O)CN1 |
<|startoftext|><L>CC(C)N1C[C@@<mask_1:8>](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O<mask_1:8> | 1 | 12 | 8 | H | 8 | CC(C)N1C[C@@H](C)[C@](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | CC(C)N1C[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1=O | H](C)[C@ |
<|startoftext|><L>C<mask_1:2>c1noc(C)c1NC(=O)[C@H]1CCCO1<mask_1:2> | 0 | 1 | 2 | 2 | CCCc1noc(C)c1NC(=O)[C@H]1CCCO1 | Cc1noc(C)c1NC(=O)[C@H]1CCCO1 | CC |
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<|startoftext|><L>Cc1noc(C)c1NC(=O)[C@H]1CC<mask_1:1>CO1<mask_1:1> | 0 | 25 | 1 | 1 | Cc1noc(C)c1NC(=O)[C@H]1CCCCO1 | Cc1noc(C)c1NC(=O)[C@H]1CCCO1 | C |
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<|startoftext|><L>Cc1noc(C)c1NC(=O)[C@H]<mask_1:3>CCCO1<mask_1:3> | 1 | 22 | 3 | 1 | 3 | Cc1noc(C)c1NC(=O)[C@H]1COCCCO1 | Cc1noc(C)c1NC(=O)[C@H]1CCCO1 | 1CO |
<|startoftext|><L>Cc1noc(C)c1NC(=O)[C@H]1C<mask_1:3>CCO1<mask_1:3> | 0 | 24 | 3 | 3 | Cc1noc(C)c1NC(=O)[C@H]1CC=CCCO1 | Cc1noc(C)c1NC(=O)[C@H]1CCCO1 | C=C |
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<|startoftext|><L>Cc1noc(C)c1<mask_1:3>C(=O)[C@H]1CCCO1<mask_1:3> | 1 | 11 | 3 | N | 3 | Cc1noc(C)c1CCNC(=O)[C@H]1CCCO1 | Cc1noc(C)c1NC(=O)[C@H]1CCCO1 | CCN |
<|startoftext|><L>Cc1noc(C)c1NC(=O)[C@H]1C<mask_1:4>O1<mask_1:4> | 2 | 24 | 4 | CC | 4 | Cc1noc(C)c1NC(=O)[C@H]1COCCCO1 | Cc1noc(C)c1NC(=O)[C@H]1CCCO1 | OCCC |
<|startoftext|><L>Cc1noc(C)c1NC<mask_1:1>[C@H]1CCCO1<mask_1:1> | 4 | 13 | 1 | (=O) | 1 | Cc1noc(C)c1NCC[C@H]1CCCO1 | Cc1noc(C)c1NC(=O)[C@H]1CCCO1 | C |
<|startoftext|><L>Cc1noc(C)c<mask_1:4>NC(=O)[C@H]1CCCO1<mask_1:4> | 1 | 10 | 4 | 1 | 4 | Cc1noc(C)c1CCCNC(=O)[C@H]1CCCO1 | Cc1noc(C)c1NC(=O)[C@H]1CCCO1 | 1CCC |
<|startoftext|><L>Cc1noc(C)c1NC(<mask_1:4>[C@H]1CCCO1<mask_1:4> | 3 | 14 | 4 | =O) | 4 | Cc1noc(C)c1NC(=O)C[C@H]1CCCO1 | Cc1noc(C)c1NC(=O)[C@H]1CCCO1 | =O)C |
<|startoftext|><L>Cc1noc(C)c<mask_1:3>C(=O)[C@H]1CCCO1<mask_1:3> | 2 | 10 | 3 | 1N | 3 | Cc1noc(C)c1COC(=O)[C@H]1CCCO1 | Cc1noc(C)c1NC(=O)[C@H]1CCCO1 | 1CO |
<|startoftext|><L>CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1<mask_1:4>(=O)c1ccccc1<mask_1:4> | 6 | 32 | 4 | )S(=O) | 4 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1OC)C(=O)c1ccccc1 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | OC)C |
<|startoftext|><L>CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O<mask_1:4>1ccccc1<mask_1:4> | 2 | 41 | 4 | )c | 4 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)CCc1ccccc1 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | )CCc |
<|startoftext|><L>CC[C@@H](C)NC(=O)CN(c1<mask_1:2>OC)cc1)S(=O)(=O)c1ccccc1<mask_1:2> | 4 | 22 | 2 | ccc( | 2 | CC[C@@H](C)NC(=O)CN(c1c(OC)cc1)S(=O)(=O)c1ccccc1 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | c( |
<|startoftext|><L>CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(<mask_1:2>)c1ccccc1<mask_1:2> | 6 | 35 | 2 | =O)(=O | 2 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)c1ccccc1 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | =O |
<|startoftext|><L>CC[C@@H](C)NC(=O)CN(<mask_1:6>ccc(OC)cc1)S(=O)(=O)c1ccccc1<mask_1:6> | 2 | 20 | 6 | c1 | 6 | CC[C@@H](C)NC(=O)CN(CCCOc1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | CCCOc1 |
<|startoftext|><L>CC[C@@H](C)<mask_1:6>C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1<mask_1:6> | 1 | 11 | 6 | N | 6 | CC[C@@H](C)NC(=O)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | NC(=O) |
<|startoftext|><L>CC<mask_1:5>C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1<mask_1:5> | 7 | 2 | 5 | [C@@H]( | 5 | CCC(C)(C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | C(C)( |
<|startoftext|><L>CC[C@@H](C)N<mask_1:6>C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1<mask_1:6> | 0 | 12 | 6 | 6 | CC[C@@H](C)NC(=O)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | C(=O)N |
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<|startoftext|><L>CC[C@@H](C)NC(=O)CN(c1c<mask_1:6>)cc1)S(=O)(=O)c1ccccc1<mask_1:6> | 5 | 23 | 6 | cc(OC | 6 | CC[C@@H](C)NC(=O)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccccc1 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | cc(C#N |
<|startoftext|><L>CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1<mask_1:7>)(=O)c1ccccc1<mask_1:7> | 5 | 32 | 7 | )S(=O | 7 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 | CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | OC)S(=O |
<|startoftext|><L>O=C(NC[C@@H](O)c1cc(-c2<mask_1:6>)cs1)c1cncc(Br)c1<mask_1:6> | 5 | 23 | 6 | ccco2 | 6 | O=C(NC[C@@H](O)c1cc(-c2ccccc2)cs1)c1cncc(Br)c1 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | ccccc2 |
<|startoftext|><L>O=C(NC[C@@H](<mask_1:5>c1cc(-c2ccco2)cs1)c1cncc(Br)c1<mask_1:5> | 2 | 13 | 5 | O) | 5 | O=C(NC[C@@H](O)COCc1cc(-c2ccco2)cs1)c1cncc(Br)c1 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | O)COC |
<|startoftext|><L>O=C(NC[C@@H](O)c1cc(-c2cc<mask_1:5>2)cs1)c1cncc(Br)c1<mask_1:5> | 2 | 25 | 5 | co | 5 | O=C(NC[C@@H](O)c1cc(-c2ccc[nH]2)cs1)c1cncc(Br)c1 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | c[nH] |
<|startoftext|><L>O=C<mask_1:3>NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1<mask_1:3> | 1 | 3 | 3 | ( | 3 | O=C(CCNC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | (CC |
<|startoftext|><L>O=C(NC<mask_1:2>[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1<mask_1:2> | 0 | 6 | 2 | 2 | O=C(NCCC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | CC |
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<|startoftext|><L>O=C(NC[C@<mask_1:3>O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1<mask_1:3> | 4 | 9 | 3 | @H]( | 3 | O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | H]( |
<|startoftext|><L>O=C(<mask_1:2>C[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1<mask_1:2> | 1 | 4 | 2 | N | 2 | O=C(NCC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | NC |
<|startoftext|><L>O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1<mask_1:5>1cncc(Br)c1<mask_1:5> | 2 | 32 | 5 | )c | 5 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)NCCc1cncc(Br)c1 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | )NCCc |
<|startoftext|><L>O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cnc<mask_1:5>)c1<mask_1:5> | 4 | 38 | 5 | c(Br | 5 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(C#N)c1 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | c(C#N |
<|startoftext|><L>O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cn<mask_1:4>c1<mask_1:4> | 6 | 37 | 4 | cc(Br) | 4 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cnn(C)c1 | O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cncc(Br)c1 | n(C) |
<|startoftext|><L>CCCc1cc(CN(C<mask_1:3>Nc2ccc(-n3ccnc3C)cc2)n[nH]1<mask_1:3> | 6 | 12 | 3 | )C(=O) | 3 | CCCc1cc(CN(C)CCNc2ccc(-n3ccnc3C)cc2)n[nH]1 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | )CC |
<|startoftext|><L>CCCc1cc(C<mask_1:2>(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1<mask_1:2> | 1 | 9 | 2 | N | 2 | CCCc1cc(CCN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | CN |
<|startoftext|><L>C<mask_1:2>Cc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1<mask_1:2> | 1 | 1 | 2 | C | 2 | CCCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | CC |
<|startoftext|><L>CCCc1cc(CN(C)C(=O)Nc2cc<mask_1:4>(-n3ccnc3C)cc2)n[nH]1<mask_1:4> | 1 | 23 | 4 | c | 4 | CCCc1cc(CN(C)C(=O)Nc2cc(C)c(-n3ccnc3C)cc2)n[nH]1 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | (C)c |
<|startoftext|><L>CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[<mask_1:4>nH]1<mask_1:4> | 0 | 41 | 4 | 4 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH][nH]1 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | nH][ |
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<|startoftext|><L>CCCc1cc(CN(C)<mask_1:1>Nc2ccc(-n3ccnc3C)cc2)n[nH]1<mask_1:1> | 5 | 13 | 1 | C(=O) | 1 | CCCc1cc(CN(C)CNc2ccc(-n3ccnc3C)cc2)n[nH]1 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | C |
<|startoftext|><L>CCCc1cc(CN(C)C(=O)Nc2c<mask_1:5>-n3ccnc3C)cc2)n[nH]1<mask_1:5> | 3 | 22 | 5 | cc( | 5 | CCCc1cc(CN(C)C(=O)Nc2ccc(CC-n3ccnc3C)cc2)n[nH]1 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | cc(CC |
<|startoftext|><L>C<mask_1:3>c(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1<mask_1:3> | 5 | 1 | 3 | CCc1c | 3 | Cc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | c1c |
<|startoftext|><L>CCCc1cc(CN(C)C<mask_1:3>=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1<mask_1:3> | 1 | 14 | 3 | ( | 3 | CCCc1cc(CN(C)CCC(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | CC( |
<|startoftext|><L>CCCc1cc(CN(C)C(=<mask_1:3>Nc2ccc(-n3ccnc3C)cc2)n[nH]1<mask_1:3> | 2 | 16 | 3 | O) | 3 | CCCc1cc(CN(C)C(=O)CNc2ccc(-n3ccnc3C)cc2)n[nH]1 | CCCc1cc(CN(C)C(=O)Nc2ccc(-n3ccnc3C)cc2)n[nH]1 | O)C |
<|startoftext|><L>COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=<mask_1:7>2ccccc2OC)cc1<mask_1:7> | 6 | 39 | 7 | O)N2Cc | 7 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CCc2ccccc2OC)cc1 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | O)N2CCc |
<|startoftext|><L>COc1ccc([C@H]2[C@@H](C<mask_1:5>)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1<mask_1:5> | 3 | 22 | 5 | (=O | 5 | COc1ccc([C@H]2[C@@H](CCC(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | CC(=O |
<|startoftext|><L>COc1ccc([C@H]2[C@@H]<mask_1:3>O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1<mask_1:3> | 4 | 20 | 3 | (C(= | 3 | COc1ccc([C@H]2[C@@H](C(O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | (C( |
<|startoftext|><L>COc1cc<mask_1:6>[C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1<mask_1:6> | 2 | 6 | 6 | c( | 6 | COc1ccc(CCOC[C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | c(CCOC |
<|startoftext|><L>COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2c<mask_1:2>c2OC)cc1<mask_1:2> | 3 | 47 | 2 | ccc | 2 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccoc2OC)cc1 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | co |
<|startoftext|><L>COc1ccc([C@H]2[C@@H](C(=O)O)c3ccc<mask_1:6>)N2Cc2ccccc2OC)cc1<mask_1:6> | 7 | 33 | 6 | cc3C(=O | 7 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | cc3C(=O |
<|startoftext|><L>COc1ccc([C@H]2[C@@H](C(=O<mask_1:8>)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1<mask_1:8> | 2 | 25 | 8 | )O | 8 | COc1ccc([C@H]2[C@@H](C(=O)OCC(C)C)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | )OCC(C)C |
<|startoftext|><L>COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C<mask_1:3>2ccccc2OC)cc1<mask_1:3> | 8 | 37 | 3 | (=O)N2Cc | 3 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3CN2c2ccccc2OC)cc1 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | N2c |
<|startoftext|><L>COc1ccc([C@H]2[C@@H](C(=O)O)<mask_1:6>cc3C(=O)N2Cc2ccccc2OC)cc1<mask_1:6> | 5 | 28 | 6 | c3ccc | 6 | COc1ccc([C@H]2[C@@H](C(=O)O)Nc3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | Nc3ccc |
<|startoftext|><L>COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC<mask_1:5>1<mask_1:5> | 3 | 54 | 5 | )cc | 5 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OCCO)cc1 | COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 | CO)cc |
<|startoftext|><L>C<mask_1:4>C(=O)C[S@](=O)c1ccc(F)cc1<mask_1:4> | 2 | 1 | 4 | CO | 4 | CCCCNC(=O)C[S@](=O)c1ccc(F)cc1 | CCOC(=O)C[S@](=O)c1ccc(F)cc1 | CCCN |
<|startoftext|><L>CCOC(=O)C[S@](=<mask_1:4>)c1ccc(F)cc1<mask_1:4> | 1 | 15 | 4 | O | 4 | CCOC(=O)C[S@](=O)(C)c1ccc(F)cc1 | CCOC(=O)C[S@](=O)c1ccc(F)cc1 | O)(C |
<|startoftext|><L>CCOC(=O)C[S@](=O)c1<mask_1:2>ccc(F)cc1<mask_1:2> | 0 | 19 | 2 | 2 | CCOC(=O)C[S@](=O)c1ccccc(F)cc1 | CCOC(=O)C[S@](=O)c1ccc(F)cc1 | cc |
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<|startoftext|><L>CCOC(=O)C[S@](=O)c1c<mask_1:4>cc(F)cc1<mask_1:4> | 0 | 20 | 4 | 4 | CCOC(=O)C[S@](=O)c1c(Br)cc(F)cc1 | CCOC(=O)C[S@](=O)c1ccc(F)cc1 | (Br) |
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<|startoftext|><L>CCOC(=O)C[S@<mask_1:2>(=O)c1ccc(F)cc1<mask_1:2> | 1 | 12 | 2 | ] | 2 | CCOC(=O)C[S@@](=O)c1ccc(F)cc1 | CCOC(=O)C[S@](=O)c1ccc(F)cc1 | @] |
<|startoftext|><L>CCOC<mask_1:3>O)C[S@](=O)c1ccc(F)cc1<mask_1:3> | 2 | 4 | 3 | (= | 3 | CCOCC(=O)C[S@](=O)c1ccc(F)cc1 | CCOC(=O)C[S@](=O)c1ccc(F)cc1 | C(= |
<|startoftext|><L>CCOC(=O<mask_1:3>C[S@](=O)c1ccc(F)cc1<mask_1:3> | 1 | 7 | 3 | ) | 3 | CCOC(=O)NCC[S@](=O)c1ccc(F)cc1 | CCOC(=O)C[S@](=O)c1ccc(F)cc1 | )NC |
<|startoftext|><L>CCOC(<mask_1:3>[S@](=O)c1ccc(F)cc1<mask_1:3> | 4 | 5 | 3 | =O)C | 3 | CCOC(=O)[S@](=O)c1ccc(F)cc1 | CCOC(=O)C[S@](=O)c1ccc(F)cc1 | =O) |
<|startoftext|><L>CCOC(=O)C[S@](=O)c1cc<mask_1:3>(F)cc1<mask_1:3> | 1 | 21 | 3 | c | 3 | CCOC(=O)C[S@](=O)c1cc(F)(F)cc1 | CCOC(=O)C[S@](=O)c1ccc(F)cc1 | (F) |
<|startoftext|><L>CCO<mask_1:3>(=O)C[S@](=O)c1ccc(F)cc1<mask_1:3> | 1 | 3 | 3 | C | 3 | CCOCNC(=O)C[S@](=O)c1ccc(F)cc1 | CCOC(=O)C[S@](=O)c1ccc(F)cc1 | CNC |
<|startoftext|><L><mask_1:1>1ccc(O)c2nc3ccccc3nc12<mask_1:1> | 2 | 0 | 1 | Oc | 1 | c1ccc(O)c2nc3ccccc3nc12 | Oc1ccc(O)c2nc3ccccc3nc12 | c |
<|startoftext|><L>Oc1ccc(O)c2nc3cc<mask_1:2>3nc12<mask_1:2> | 3 | 16 | 2 | ccc | 2 | Oc1ccc(O)c2nc3ccsc3nc12 | Oc1ccc(O)c2nc3ccccc3nc12 | sc |
<|startoftext|><L>Oc1ccc(O)c2nc3ccc<mask_1:3>3nc12<mask_1:3> | 2 | 17 | 3 | cc | 3 | Oc1ccc(O)c2nc3ccccc-3nc12 | Oc1ccc(O)c2nc3ccccc3nc12 | cc- |
<|startoftext|><L>Oc1ccc(O)c2nc3c<mask_1:2>c3nc12<mask_1:2> | 3 | 15 | 2 | ccc | 2 | Oc1ccc(O)c2nc3ccsc3nc12 | Oc1ccc(O)c2nc3ccccc3nc12 | cs |
<|startoftext|><L>Oc1ccc<mask_1:3>O)c2nc3ccccc3nc12<mask_1:3> | 1 | 6 | 3 | ( | 3 | Oc1ccc(CCO)c2nc3ccccc3nc12 | Oc1ccc(O)c2nc3ccccc3nc12 | (CC |
<|startoftext|><L>Oc1ccc(O)c2nc3ccccc<mask_1:2>12<mask_1:2> | 3 | 19 | 2 | 3nc | 2 | Oc1ccc(O)c2nc3ccccc3n12 | Oc1ccc(O)c2nc3ccccc3nc12 | 3n |
<|startoftext|><L><mask_1:2>Oc1ccc(O)c2nc3ccccc3nc12<mask_1:2> | 0 | 0 | 2 | 2 | CCOc1ccc(O)c2nc3ccccc3nc12 | Oc1ccc(O)c2nc3ccccc3nc12 | CC |
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<|startoftext|><L>Oc1cc<mask_1:3>(O)c2nc3ccccc3nc12<mask_1:3> | 1 | 5 | 3 | c | 3 | Oc1cc(I)(O)c2nc3ccccc3nc12 | Oc1ccc(O)c2nc3ccccc3nc12 | (I) |
<|startoftext|><L>Oc1ccc(O)c2n<mask_1:1>ccccc3nc12<mask_1:1> | 2 | 12 | 1 | c3 | 1 | Oc1ccc(O)c2n3ccccc3nc12 | Oc1ccc(O)c2nc3ccccc3nc12 | 3 |
<|startoftext|><L>Oc1ccc(O)c2nc3ccccc3n<mask_1:3>2<mask_1:3> | 2 | 21 | 3 | c1 | 3 | Oc1ccc(O)c2nc3ccccc3nc1O2 | Oc1ccc(O)c2nc3ccccc3nc12 | c1O |