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stringlengths 49
215
| first_mask_count
int64 0
16
| first_start_index
int64 0
156
| 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
189
| original_smiles
stringlengths 12
175
| generated_tokens
stringlengths 0
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<|startoftext|><L>Cc1ccc2[nH]c(C)c<mask_1:5>)NC[C@H](C)N3CCCC3)c2c1<mask_1:5> | 6 | 16 | 5 | (CC(=O | 5 | Cc1ccc2[nH]c(C)c(C(=O)NC[C@H](C)N3CCCC3)c2c1 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | (C(=O |
<|startoftext|><L>Cc1ccc2[nH]c(C)c(CC(=O)NC<mask_1:4>(C)N3CCCC3)c2c1<mask_1:4> | 5 | 25 | 4 | [C@H] | 4 | Cc1ccc2[nH]c(C)c(CC(=O)NCC(C)(C)N3CCCC3)c2c1 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | C(C) |
<|startoftext|><L>Cc1ccc2[nH]c(C)c(CC(=O)NC[C@<mask_1:4>C)N3CCCC3)c2c1<mask_1:4> | 3 | 28 | 4 | H]( | 4 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@@H](C)N3CCCC3)c2c1 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | @H]( |
<|startoftext|><L>Cc1ccc2[nH]c(C)<mask_1:4>=O)NC[C@H](C)N3CCCC3)c2c1<mask_1:4> | 5 | 15 | 4 | c(CC( | 4 | Cc1ccc2[nH]c(C)c(C(=O)NC[C@H](C)N3CCCC3)c2c1 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | c(C( |
<|startoftext|><L>Cc1ccc2[nH]c(C)c(CC(=O)N<mask_1:5>H](C)N3CCCC3)c2c1<mask_1:5> | 4 | 24 | 5 | C[C@ | 5 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@@H](C)N3CCCC3)c2c1 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | C[C@@ |
<|startoftext|><L>Cc<mask_1:6>2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1<mask_1:6> | 4 | 2 | 6 | 1ccc | 6 | Cc1cc(C)2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | 1cc(C) |
<|startoftext|><L>Cc1ccc2[nH]c(C)c(CC(=O)NC<mask_1:3>C)N3CCCC3)c2c1<mask_1:3> | 6 | 25 | 3 | [C@H]( | 3 | Cc1ccc2[nH]c(C)c(CC(=O)NCCC(C)N3CCCC3)c2c1 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | CC( |
<|startoftext|><L>Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)<mask_1:4>3)c2c1<mask_1:4> | 6 | 33 | 4 | N3CCCC | 4 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)C3CC3)c2c1 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | C3CC |
<|startoftext|><L>Cc1ccc2[nH]c(C)c(CC(=O)N<mask_1:3>H](C)N3CCCC3)c2c1<mask_1:3> | 4 | 24 | 3 | C[C@ | 3 | Cc1ccc2[nH]c(C)c(CC(=O)N[C@H](C)N3CCCC3)c2c1 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | [C@ |
<|startoftext|><L>Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCC<mask_1:4>3)c2c1<mask_1:4> | 1 | 38 | 4 | C | 4 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCCCCC3)c2c1 | Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H](C)N3CCCC3)c2c1 | CCCC |
<|startoftext|><L>COc1ccc([C@@H](N)c2n<mask_1:7>-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC<mask_1:7> | 6 | 20 | 7 | [nH]c( | 7 | COc1ccc([C@@H](N)c2n[nH]c(N-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | [nH]c(N |
<|startoftext|><L>COc1ccc([C@@H](N<mask_1:8>c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC<mask_1:8> | 1 | 16 | 8 | ) | 8 | COc1ccc([C@@H](NC)C(=O)Nc2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | C)C(=O)N |
<|startoftext|><L>COc1ccc([C@@H]<mask_1:7>[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC<mask_1:7> | 6 | 14 | 7 | (N)c2n | 7 | COc1ccc([C@@H](C)Sc2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | (C)Sc2n |
<|startoftext|><L>COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-]<mask_1:9>ccc3OC)n2)cc1OC<mask_1:9> | 1 | 44 | 9 | ) | 9 | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3-n3cccc3OC)n2)cc1OC | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | )ccc3-n3c |
<|startoftext|><L>COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-]<mask_1:5>C)n2)cc1OC<mask_1:5> | 6 | 44 | 5 | )ccc3O | 5 | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3C)n2)cc1OC | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | )ccc3 |
<|startoftext|><L>COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=<mask_1:3>[O-])ccc3OC)n2)cc1OC<mask_1:3> | 2 | 38 | 3 | O) | 3 | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)C[O-])ccc3OC)n2)cc1OC | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | O)C |
<|startoftext|><L>COc<mask_1:9>1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC<mask_1:9> | 0 | 3 | 9 | 9 | COc1ccccc1Oc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | 1ccccc1Oc |
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<|startoftext|><L>COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-]<mask_1:9>OC)n2)cc1OC<mask_1:9> | 5 | 44 | 9 | )ccc3 | 9 | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])cc(OC)c3OC)n2)cc1OC | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | )cc(OC)c3 |
<|startoftext|><L>COc1ccc<mask_1:9>H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC<mask_1:9> | 5 | 7 | 9 | ([C@@ | 9 | COc1ccc(C(=O)[C@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | (C(=O)[C@ |
<|startoftext|><L>CO<mask_1:2>c([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC<mask_1:2> | 4 | 2 | 2 | c1cc | 2 | COc1c([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | COc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OC | c1 |
<|startoftext|><L>C[C@<mask_1:3>2C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2<mask_1:3> | 2 | 4 | 3 | ]1 | 3 | C[C@@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | @]1 |
<|startoftext|><L>C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3<mask_1:5>N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2<mask_1:5> | 1 | 33 | 5 | ) | 5 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | )N(C) |
<|startoftext|><L>C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)<mask_1:10>3)[C@H]1CCCCC(=O)N2<mask_1:10> | 7 | 41 | 10 | C3CCOCC | 10 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)c3ccc(O)nn3)[C@H]1CCCCC(=O)N2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | c3ccc(O)nn |
<|startoftext|><L>C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3C<mask_1:7>H]1CCCCC(=O)N2<mask_1:7> | 9 | 44 | 7 | COCC3)[C@ | 7 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CC3)[C@@H]1CCCCC(=O)N2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | C3)[C@@ |
<|startoftext|><L>C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1C<mask_1:10>)N2<mask_1:10> | 7 | 57 | 10 | CCCC(=O | 10 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCC(=O)N(C)N2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | CCC(=O)N(C |
<|startoftext|><L>C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCO<mask_1:7>1CCCCC(=O)N2<mask_1:7> | 9 | 46 | 7 | CC3)[C@H] | 7 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C]1CCCCC(=O)N2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | CC3)[C] |
<|startoftext|><L>C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C<mask_1:6>O)C3CCOCC3)[C@H]1CCCCC(=O)N2<mask_1:6> | 2 | 37 | 6 | (= | 6 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(CCCNC(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | CCNC(= |
<|startoftext|><L>C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=<mask_1:10>)C3CCOCC3)[C@H]1CCCCC(=O)N2<mask_1:10> | 1 | 39 | 10 | O | 10 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C[C@H](O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | O)C[C@H](O |
<|startoftext|><L>C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(<mask_1:10>CCOCC3)[C@H]1CCCCC(=O)N2<mask_1:10> | 5 | 38 | 10 | =O)C3 | 10 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C(=O)N3CCOCC3)[C@H]1CCCCC(=O)N2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | =O)C(=O)N3 |
<|startoftext|><L>C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1<mask_1:2>C(=O)N2<mask_1:2> | 4 | 56 | 2 | CCCC | 2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCC(=O)N2 | C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCOCC3)[C@H]1CCCCC(=O)N2 | CC |
<|startoftext|><L>O=C(COc1ccc(OC<mask_1:6>cccc2)cc1)N1CCc2ccccc2C1<mask_1:6> | 3 | 14 | 6 | c2c | 6 | O=C(COc1ccc(OCCCOc2ccccc2)cc1)N1CCc2ccccc2C1 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | CCOc2c |
<|startoftext|><L>O=C(COc1ccc(OCc2ccccc2)c<mask_1:5>1CCc2ccccc2C1<mask_1:5> | 4 | 24 | 5 | c1)N | 5 | O=C(COc1ccc(OCc2ccccc2)cc1)NC1CCc2ccccc2C1 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | c1)NC |
<|startoftext|><L>O=C(CO<mask_1:6>c(OCc2ccccc2)cc1)N1CCc2ccccc2C1<mask_1:6> | 4 | 6 | 6 | c1cc | 6 | O=C(COCCc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | CCc1cc |
<|startoftext|><L>O=C(COc1ccc(OCc2ccccc2)c<mask_1:3>)N1CCc2ccccc2C1<mask_1:3> | 2 | 24 | 3 | c1 | 3 | O=C(COc1ccc(OCc2ccccc2)cc1F)N1CCc2ccccc2C1 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | c1F |
<|startoftext|><L>O=C(COc1cc<mask_1:4>(OCc2ccccc2)cc1)N1CCc2ccccc2C1<mask_1:4> | 1 | 10 | 4 | c | 4 | O=C(COc1cc(O)c(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | (O)c |
<|startoftext|><L><mask_1:2>COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1<mask_1:2> | 4 | 0 | 2 | O=C( | 2 | C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | C( |
<|startoftext|><L>O=C(COc1ccc(OCc2ccccc2)cc1)N1C<mask_1:4>2ccccc2C1<mask_1:4> | 2 | 30 | 4 | Cc | 4 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCCOc2ccccc2C1 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | CCOc |
<|startoftext|><L>O=C(COc1ccc(OCc2<mask_1:3>2)cc1)N1CCc2ccccc2C1<mask_1:3> | 5 | 16 | 3 | ccccc | 4 | O=C(COc1ccc(OCc2cccs2)cc1)N1CCc2ccccc2C1 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | cccs |
<|startoftext|><L>O=C(COc1ccc(<mask_1:2>2ccccc2)cc1)N1CCc2ccccc2C1<mask_1:2> | 3 | 12 | 2 | OCc | 2 | O=C(COc1ccc(Cc2ccccc2)cc1)N1CCc2ccccc2C1 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | Cc |
<|startoftext|><L>O=C(COc1ccc<mask_1:6>ccccc2)cc1)N1CCc2ccccc2C1<mask_1:6> | 5 | 11 | 6 | (OCc2 | 6 | O=C(COc1ccc(CCOc2ccccc2)cc1)N1CCc2ccccc2C1 | O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 | (CCOc2 |
<|startoftext|><L>Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4<mask_1:6>c43)cc2)co1<mask_1:6> | 4 | 33 | 6 | cccc | 6 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4cn(C)nc43)cc2)co1 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | cn(C)n |
<|startoftext|><L>Cc1nc(-c<mask_1:7>c(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1<mask_1:7> | 3 | 8 | 7 | 2cc | 7 | Cc1nc(-c2cc(Cl)c(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | 2cc(Cl) |
<|startoftext|><L>Cc1nc(-c2cc<mask_1:6>=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1<mask_1:6> | 4 | 11 | 6 | c(S( | 6 | Cc1nc(-c2ccc(CNS(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | c(CNS( |
<|startoftext|><L>Cc1nc(-c2c<mask_1:6>c(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1<mask_1:6> | 1 | 10 | 6 | c | 6 | Cc1nc(-c2cc(C#N)c(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | c(C#N) |
<|startoftext|><L>Cc1nc(-c2ccc(S(=O)(=O)NC[C<mask_1:5>4ccccc43)cc2)co1<mask_1:5> | 6 | 26 | 5 | @H]3Cc | 5 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3c4ccccc43)cc2)co1 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | @H]3c |
<|startoftext|><L>Cc1nc(-c2ccc(S(=O)(<mask_1:7>=O)NC[C@H]3Cc4ccccc43)cc2)co1<mask_1:7> | 0 | 19 | 7 | 7 | Cc1nc(-c2ccc(S(=O)(=O)NCC(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | =O)NCC( |
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<|startoftext|><L>Cc1nc(-c2ccc(S(=O<mask_1:6>NC[C@H]3Cc4ccccc43)cc2)co1<mask_1:6> | 5 | 17 | 6 | )(=O) | 6 | Cc1nc(-c2ccc(S(=O)(=O)NNC[C@H]3Cc4ccccc43)cc2)co1 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | )(=O)N |
<|startoftext|><L>Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]<mask_1:3>ccccc43)cc2)co1<mask_1:3> | 4 | 29 | 3 | 3Cc4 | 3 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3c4ccccc43)cc2)co1 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | 3c4 |
<|startoftext|><L>Cc1nc(-c2ccc(S(=O)(=<mask_1:6>C@H]3Cc4ccccc43)cc2)co1<mask_1:6> | 5 | 20 | 6 | O)NC[ | 6 | Cc1nc(-c2ccc(S(=O)(=O)NCC[C@H]3Cc4ccccc43)cc2)co1 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | O)NCC[ |
<|startoftext|><L>Cc1nc(-c2ccc(S(=O)(=O)NC[<mask_1:7>Cc4ccccc43)cc2)co1<mask_1:7> | 5 | 25 | 7 | C@H]3 | 7 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3CCc4ccccc43)cc2)co1 | Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 | C@@H]3C |
<|startoftext|><L>c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C<mask_1:6>C2)no1<mask_1:6> | 2 | 36 | 6 | 2C | 6 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC(O)C2)no1 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | 2CC(O) |
<|startoftext|><L>c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-<mask_1:6>C2CC2)no1<mask_1:6> | 5 | 30 | 6 | c1nc( | 6 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(CC2CC2)no1 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | c1nc(C |
<|startoftext|><L>c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C<mask_1:5>)no1<mask_1:5> | 4 | 36 | 5 | 2CC2 | 5 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CCC2)no1 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | 2CCC2 |
<|startoftext|><L>c1ccc2c(c1)CC[C@@<mask_1:4>]2Nc1ncncc1-c1nc(C2CC2)no1<mask_1:4> | 1 | 17 | 4 | H | 4 | c1ccc2c(c1)CC[C@@H][C]2Nc1ncncc1-c1nc(C2CC2)no1 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | H][C |
<|startoftext|><L>c1ccc2c(c<mask_1:6>CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1<mask_1:6> | 2 | 9 | 6 | 1) | 6 | c1ccc2c(c1)CNCCCC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | 1)CNCC |
<|startoftext|><L>c1ccc2c(c1<mask_1:1>[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1<mask_1:1> | 3 | 10 | 1 | )CC | 1 | c1ccc2c(c1)[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | ) |
<|startoftext|><L>c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C<mask_1:4>C2)no1<mask_1:4> | 2 | 36 | 4 | 2C | 4 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CCCC2)no1 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | 2CCC |
<|startoftext|><L>c1ccc2c(c1)CC[C@@<mask_1:6>1ncncc1-c1nc(C2CC2)no1<mask_1:6> | 5 | 17 | 6 | H]2Nc | 6 | c1ccc2c(c1)CC[C@@H]2NCc1ncncc1-c1nc(C2CC2)no1 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | H]2NCc |
<|startoftext|><L>c1ccc2c(c<mask_1:5>[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1<mask_1:5> | 4 | 9 | 5 | 1)CC | 5 | c1ccc2c(c1)CCC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | 1)CCC |
<|startoftext|><L>c1ccc2c(c1)CC[C@@H<mask_1:6>Nc1ncncc1-c1nc(C2CC2)no1<mask_1:6> | 2 | 18 | 6 | ]2 | 6 | c1ccc2c(c1)CC[C@@H]2CNCCNc1ncncc1-c1nc(C2CC2)no1 | c1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nc(C2CC2)no1 | ]2CNCC |
<|startoftext|><L>NC(=O)/C=<mask_1:4>c1ccc(N2CCOCC2)cc1<mask_1:4> | 2 | 9 | 4 | C\ | 4 | NC(=O)/C=C\CNc1ccc(N2CCOCC2)cc1 | NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 | C\CN |
<|startoftext|><L>NC(<mask_1:4>/C=C\c1ccc(N2CCOCC2)cc1<mask_1:4> | 3 | 3 | 4 | =O) | 4 | NC(=S)N/C=C\c1ccc(N2CCOCC2)cc1 | NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 | =S)N |
<|startoftext|><L>NC(=O)/C=C\c1ccc(N<mask_1:3>COCC2)cc1<mask_1:3> | 2 | 18 | 3 | 2C | 3 | NC(=O)/C=C\c1ccc(N2CCCOCC2)cc1 | NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 | 2CC |
<|startoftext|><L>NC(=O)/C=C\c1ccc(N2CCOCC<mask_1:3>1<mask_1:3> | 4 | 24 | 3 | 2)cc | 3 | NC(=O)/C=C\c1ccc(N2CCOCC2)o1 | NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 | 2)o |
<|startoftext|><L>NC(=O)/C=C\c1ccc(N2CCOCC2<mask_1:4>c1<mask_1:4> | 2 | 25 | 4 | )c | 4 | NC(=O)/C=C\c1ccc(N2CCOCC2=O)cc1 | NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 | =O)c |
<|startoftext|><L>NC(=O)/C=C\<mask_1:4>1ccc(N2CCOCC2)cc1<mask_1:4> | 1 | 11 | 4 | c | 4 | NC(=O)/C=C\N=Nc1ccc(N2CCOCC2)cc1 | NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 | N=Nc |
<|startoftext|><L>NC(=O)/C=C\c1ccc(N2CCOC<mask_1:1>)cc1<mask_1:1> | 2 | 23 | 1 | C2 | 1 | NC(=O)/C=C\c1ccc(N2CCOC2)cc1 | NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 | 2 |
<|startoftext|><L>NC(=O)/C<mask_1:2>C\c1ccc(N2CCOCC2)cc1<mask_1:2> | 1 | 8 | 2 | = | 2 | NC(=O)/C=CC\c1ccc(N2CCOCC2)cc1 | NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 | =C |
<|startoftext|><L>NC(=O)/C=C\c1ccc(N2CCO<mask_1:3>cc1<mask_1:3> | 4 | 22 | 3 | CC2) | 3 | NC(=O)/C=C\c1ccc(N2CCOC2)cc1 | NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 | C2) |
<|startoftext|><L>NC(=O)/C=C\<mask_1:4>ccc(N2CCOCC2)cc1<mask_1:4> | 2 | 11 | 4 | c1 | 4 | NC(=O)/C=C\CSc1ccc(N2CCOCC2)cc1 | NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 | CSc1 |
<|startoftext|><L>O=C(c1csc(Nc2ccccn2)n1)N1CC<mask_1:1>1<mask_1:1> | 2 | 27 | 1 | CC | 1 | O=C(c1csc(Nc2ccccn2)n1)N1CCC1 | O=C(c1csc(Nc2ccccn2)n1)N1CCCC1 | C |
<|startoftext|><L>O=C(c1csc(Nc2c<mask_1:3>2)n1)N1CCCC1<mask_1:3> | 4 | 14 | 3 | cccn | 3 | O=C(c1csc(Nc2cccs2)n1)N1CCCC1 | O=C(c1csc(Nc2ccccn2)n1)N1CCCC1 | ccs |
<|startoftext|><L>O=C(c1csc(<mask_1:4>ccccn2)n1)N1CCCC1<mask_1:4> | 3 | 10 | 4 | Nc2 | 4 | O=C(c1csc(SCc2ccccn2)n1)N1CCCC1 | O=C(c1csc(Nc2ccccn2)n1)N1CCCC1 | SCc2 |
<|startoftext|><L>O=C(c1csc(Nc2ccccn2)n1)N1<mask_1:3>CC1<mask_1:3> | 2 | 25 | 3 | CC | 3 | O=C(c1csc(Nc2ccccn2)n1)N1CCOCC1 | O=C(c1csc(Nc2ccccn2)n1)N1CCCC1 | CCO |
<|startoftext|><L>O=C<mask_1:4>c1csc(Nc2ccccn2)n1)N1CCCC1<mask_1:4> | 1 | 3 | 4 | ( | 4 | O=C(NCCc1csc(Nc2ccccn2)n1)N1CCCC1 | O=C(c1csc(Nc2ccccn2)n1)N1CCCC1 | (NCC |
<|startoftext|><L>O=C(c1csc(N<mask_1:3>2ccccn2)n1)N1CCCC1<mask_1:3> | 1 | 11 | 3 | c | 3 | O=C(c1csc(NCCc2ccccn2)n1)N1CCCC1 | O=C(c1csc(Nc2ccccn2)n1)N1CCCC1 | CCc |
<|startoftext|><L>O=C(c1csc(Nc2cccc<mask_1:4>n1)N1CCCC1<mask_1:4> | 3 | 17 | 4 | n2) | 4 | O=C(c1csc(Nc2ccccc2F)n1)N1CCCC1 | O=C(c1csc(Nc2ccccn2)n1)N1CCCC1 | c2F) |
<|startoftext|><L>O=C(c1csc(Nc2ccccn2)n1)N1CCC<mask_1:4>1<mask_1:4> | 1 | 28 | 4 | C | 4 | O=C(c1csc(Nc2ccccn2)n1)N1CCCCCCC1 | O=C(c1csc(Nc2ccccn2)n1)N1CCCC1 | CCCC |
<|startoftext|><L>O=C(c1csc(Nc2ccccn2)n1)N1<mask_1:2>CCCC1<mask_1:2> | 0 | 25 | 2 | 2 | O=C(c1csc(Nc2ccccn2)n1)N1CCCCCC1 | O=C(c1csc(Nc2ccccn2)n1)N1CCCC1 | CC |
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<|startoftext|><L>O=C(c1csc(Nc2c<mask_1:2>n2)n1)N1CCCC1<mask_1:2> | 3 | 14 | 2 | ccc | 2 | O=C(c1csc(Nc2cnsn2)n1)N1CCCC1 | O=C(c1csc(Nc2ccccn2)n1)N1CCCC1 | ns |
<|startoftext|><L>COc1cccc(Cn2cc(S(=O<mask_1:8>O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1<mask_1:8> | 3 | 19 | 8 | )(= | 8 | COc1cccc(Cn2cc(S(=O)(=O)C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | )(=O)C(= |
<|startoftext|><L>COc1cccc(Cn2cc(S(=O)<mask_1:7>c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1<mask_1:7> | 4 | 20 | 7 | (=O) | 7 | COc1cccc(Cn2cc(S(=O)(=O)NCCc3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | (=O)NCC |
<|startoftext|><L>COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc<mask_1:6>(F)ccc32)c1<mask_1:6> | 0 | 45 | 6 | 6 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(OC)cc(F)ccc32)c1 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | (OC)cc |
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<|startoftext|><L>COc1cccc(Cn2cc(<mask_1:8>S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1<mask_1:8> | 0 | 15 | 8 | 8 | COc1cccc(Cn2cc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | C(=O)NCC |
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<|startoftext|><L>COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc<mask_1:2>)c(=O)c3cc(F)ccc32)c1<mask_1:2> | 1 | 34 | 2 | 3 | 2 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3F)c(=O)c3cc(F)ccc32)c1 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | 3F |
<|startoftext|><L>COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc<mask_1:5>F)ccc32)c1<mask_1:5> | 1 | 45 | 5 | ( | 5 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(C(F)F)ccc32)c1 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | (C(F) |
<|startoftext|><L>COc1cccc(Cn2cc(<mask_1:4>=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1<mask_1:4> | 6 | 15 | 4 | S(=O)( | 4 | COc1cccc(Cn2cc(CNC(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | CNC( |
<|startoftext|><L>COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc<mask_1:6>)ccc32)c1<mask_1:6> | 2 | 45 | 6 | (F | 6 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(OCC#N)ccc32)c1 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | (OCC#N |
<|startoftext|><L>C<mask_1:2>c(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1<mask_1:2> | 6 | 1 | 2 | Oc1ccc | 2 | Cn1c(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | n1 |
<|startoftext|><L>COc1cccc(<mask_1:8>n2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1<mask_1:8> | 1 | 9 | 8 | C | 8 | COc1cccc(NC(=O)CCn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 | NC(=O)CC |
<|startoftext|><L>CCc1cc(C(=O)N[C@H](C<mask_1:3>nc(C)c(C)s2)on1<mask_1:3> | 4 | 20 | 3 | C)c2 | 3 | CCc1cc(C(=O)N[C@H](C)c2nc(C)c(C)s2)on1 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | )c2 |
<|startoftext|><L>CCc1cc(C(=O)N[C@H](CC)c2nc(<mask_1:4>C)c(C)s2)on1<mask_1:4> | 0 | 27 | 4 | 4 | CCc1cc(C(=O)N[C@H](CC)c2nc(C(C)C)c(C)s2)on1 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | C(C) |
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<|startoftext|><L>CCc1cc(C(=O)<mask_1:3>C@H](CC)c2nc(C)c(C)s2)on1<mask_1:3> | 2 | 12 | 3 | N[ | 3 | CCc1cc(C(=O)NC[C@H](CC)c2nc(C)c(C)s2)on1 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | NC[ |
<|startoftext|><L>CCc1cc(C<mask_1:2>)N[C@H](CC)c2nc(C)c(C)s2)on1<mask_1:2> | 3 | 8 | 2 | (=O | 2 | CCc1cc(C(C)N[C@H](CC)c2nc(C)c(C)s2)on1 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | (C |
<|startoftext|><L>CCc1cc(C(=<mask_1:3>C@H](CC)c2nc(C)c(C)s2)on1<mask_1:3> | 4 | 10 | 3 | O)N[ | 3 | CCc1cc(C(=O)[C@H](CC)c2nc(C)c(C)s2)on1 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | O)[ |
<|startoftext|><L>CCc1cc(C(=O)<mask_1:5>[C@H](CC)c2nc(C)c(C)s2)on1<mask_1:5> | 1 | 12 | 5 | N | 5 | CCc1cc(C(=O)N(C)C[C@H](CC)c2nc(C)c(C)s2)on1 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | N(C)C |
<|startoftext|><L>CCc1cc(C(=O<mask_1:5>)N[C@H](CC)c2nc(C)c(C)s2)on1<mask_1:5> | 0 | 11 | 5 | 5 | CCc1cc(C(=O)C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | )C(=O |
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<|startoftext|><L>CCc1cc(C(=O)N[C@H](CC<mask_1:3>)c2nc(C)c(C)s2)on1<mask_1:3> | 0 | 21 | 3 | 3 | CCc1cc(C(=O)N[C@H](CCCSC)c2nc(C)c(C)s2)on1 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | CSC |
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<|startoftext|><L>CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)<mask_1:5>1<mask_1:5> | 2 | 36 | 5 | on | 5 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)c(C)o1 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | c(C)o |
<|startoftext|><L>CCc1cc(C(=O)N[C@H](CC)c2nc(C)<mask_1:4>C)s2)on1<mask_1:4> | 2 | 29 | 4 | c( | 4 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(CSC)s2)on1 | CCc1cc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)on1 | c(CS |