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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>Cc1noc(C)c1-c1<mask_1:8>C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1<mask_1:8> | 7 | 14 | 8 | cccc(C[ | 9 | Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | cc(C)nc([ |
<|startoftext|><L>Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC<mask_1:6>)n1<mask_1:6> | 4 | 49 | 6 | 3)C2 | 6 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2=O)n1 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | 3)C2=O |
<|startoftext|><L>Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=<mask_1:8>CCN(C)CC3)C2)n1<mask_1:8> | 7 | 34 | 8 | O)C3(C) | 8 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)/C=C/3CCN(C)CC3)C2)n1 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | O)/C=C/3 |
<|startoftext|><L>Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C<mask_1:5>(=O)C3(C)CCN(C)CC3)C2)n1<mask_1:5> | 0 | 32 | 5 | 5 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C(=O)C3(C)CCN(C)CC3)C2)n1 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | (=O)C |
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<|startoftext|><L>Cc1noc(C)c1-c1cccc(C[C@@H]2CC<mask_1:8>C(=O)C3(C)CCN(C)CC3)C2)n1<mask_1:8> | 2 | 29 | 8 | N( | 8 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCCN(C(=O)C(=O)C3(C)CCN(C)CC3)C2)n1 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | CN(C(=O) |
<|startoftext|><L>Cc1noc(C)c1-c1cccc(C<mask_1:3>H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1<mask_1:3> | 4 | 20 | 3 | [C@@ | 3 | Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | [C@ |
<|startoftext|><L>Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)C<mask_1:7>)C2)n1<mask_1:7> | 8 | 42 | 7 | CN(C)CC3 | 7 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CN(C)CC3)C2)n1 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | N(C)CC3 |
<|startoftext|><L>Cc1noc(C)c1-c1cccc(C[C@@H]2CCN<mask_1:7>C3(C)CCN(C)CC3)C2)n1<mask_1:7> | 6 | 30 | 7 | (C(=O) | 7 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)CC3(C)CCN(C)CC3)C2)n1 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | (C(=O)C |
<|startoftext|><L>C<mask_1:5>oc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1<mask_1:5> | 3 | 1 | 5 | c1n | 5 | COCc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | OCc1n |
<|startoftext|><L>Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(<mask_1:3>(=O)C3(C)CCN(C)CC3)C2)n1<mask_1:3> | 1 | 31 | 3 | C | 4 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(CCNC(=O)C3(C)CCN(C)CC3)C2)n1 | Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 | CCNC |
<|startoftext|><L>CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C<mask_1:6>=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1<mask_1:6> | 1 | 33 | 6 | ( | 6 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | (=O)C( |
<|startoftext|><L>CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N<mask_1:9>@H](C)O[C@@H](C)C3)CC2=O)cc1<mask_1:9> | 4 | 38 | 9 | 3C[C | 9 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N[C@H]3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | [C@H]3C[C |
<|startoftext|><L>CCOc1ccc(N2C[C@H]<mask_1:9>(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1<mask_1:9> | 2 | 17 | 9 | (C | 9 | CCOc1ccc(N2C[C@H](C(=O)OCC(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | (C(=O)OCC |
<|startoftext|><L>CCOc1ccc(N2C[C@H](C(=O)O[C@H<mask_1:1>O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1<mask_1:1> | 7 | 28 | 1 | ](C)C(= | 2 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | ]( |
<|startoftext|><L>CCOc1ccc(N2C[C@H](C(=O)O[<mask_1:1>H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1<mask_1:1> | 2 | 25 | 1 | C@ | 1 | CCOc1ccc(N2C[C@H](C(=O)O[CH](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | C |
<|startoftext|><L>CCOc1ccc<mask_1:10>[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1<mask_1:10> | 4 | 8 | 10 | (N2C | 10 | CCOc1ccc(N2C(=O)CC[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | (N2C(=O)CC |
<|startoftext|><L><mask_1:5>c(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1<mask_1:5> | 7 | 0 | 5 | CCOc1cc | 5 | Cc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | Cc1cc |
<|startoftext|><L>CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](<mask_1:5>C)C3)CC2=O)cc1<mask_1:5> | 10 | 46 | 5 | C)O[C@@H]( | 5 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)CC(C)C3)CC2=O)cc1 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | C)CC( |
<|startoftext|><L>CCOc1ccc(N2C<mask_1:2>C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1<mask_1:2> | 6 | 12 | 2 | [C@H]( | 2 | CCOc1ccc(N2CC(C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | C( |
<|startoftext|><L>CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N<mask_1:6>O[C@@H](C)C3)CC2=O)cc1<mask_1:6> | 10 | 38 | 6 | 3C[C@H](C) | 6 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C(=O)O[C@@H](C)C3)CC2=O)cc1 | CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 | 3C(=O) |
<|startoftext|><L>Cc1nn(C)c(C)c1[C@H]1O<mask_1:5>]1NC(=O)Nc1ccc(F)cn1<mask_1:5> | 7 | 21 | 5 | CC[C@@H | 5 | Cc1nn(C)c(C)c1[C@H]1OC[C@H]1NC(=O)Nc1ccc(F)cn1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | C[C@H |
<|startoftext|><L>Cc1nn(C)c(<mask_1:2>C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1<mask_1:2> | 0 | 10 | 2 | 2 | Cc1nn(C)c(COC)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | CO |
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<|startoftext|><L>Cc1nn(C<mask_1:5>)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1<mask_1:5> | 0 | 7 | 5 | 5 | Cc1nn(CC(C)C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | C(C)C |
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<|startoftext|><L>Cc1nn(C)c(C)<mask_1:7>@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1<mask_1:7> | 4 | 12 | 7 | c1[C | 7 | Cc1nn(C)c(C)c1CC[C@@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | c1CC[C@ |
<|startoftext|><L>Cc1nn(C)c(C)c<mask_1:7>@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1<mask_1:7> | 3 | 13 | 7 | 1[C | 7 | Cc1nn(C)c(C)c1CCC[C@@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | 1CCC[C@ |
<|startoftext|><L>Cc1nn(C)c(C)c1[C@H]1OC<mask_1:5>[C@@H]1NC(=O)Nc1ccc(F)cn1<mask_1:5> | 1 | 22 | 5 | C | 5 | Cc1nn(C)c(C)c1[C@H]1OCCN(C)[C@@H]1NC(=O)Nc1ccc(F)cn1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | CN(C) |
<|startoftext|><L>Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1<mask_1:3>cn1<mask_1:3> | 6 | 39 | 3 | ccc(F) | 3 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccccn1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | ccc |
<|startoftext|><L>Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)<mask_1:3>1ccc(F)cn1<mask_1:3> | 2 | 36 | 3 | Nc | 3 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)CCc1ccc(F)cn1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | CCc |
<|startoftext|><L>Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc<mask_1:1>c(F)cn1<mask_1:1> | 3 | 38 | 1 | 1cc | 1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1c(F)cn1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | 1 |
<|startoftext|><L>Cc1nn(C)c(C)c1[C@H<mask_1:5>C@@H]1NC(=O)Nc1ccc(F)cn1<mask_1:5> | 6 | 18 | 5 | ]1OCC[ | 5 | Cc1nn(C)c(C)c1[C@H]1CC[C@@H]1NC(=O)Nc1ccc(F)cn1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 | ]1CC[ |
<|startoftext|><L>N#<mask_1:6>c1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1<mask_1:6> | 1 | 2 | 6 | C | 6 | N#CC(=O)c1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | CC(=O) |
<|startoftext|><L>N#Cc1ccc(C(=O)N2CCC[C@@H](<mask_1:4>cnc3C#N)C2)cc1<mask_1:4> | 5 | 26 | 4 | Oc3nc | 4 | N#Cc1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3C#N)C2)cc1 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | Cn3c |
<|startoftext|><L>N#Cc1ccc(C(=O)<mask_1:2>2CCC[C@@H](Oc3nccnc3C#N)C2)cc1<mask_1:2> | 1 | 14 | 2 | N | 2 | N#Cc1ccc(C(=O)CN2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | CN |
<|startoftext|><L>N#Cc1ccc(C(=O)N2CCC[<mask_1:4>Oc3nccnc3C#N)C2)cc1<mask_1:4> | 6 | 20 | 4 | C@@H]( | 4 | N#Cc1ccc(C(=O)N2CCC[C@](Oc3nccnc3C#N)C2)cc1 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | C@]( |
<|startoftext|><L>N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccn<mask_1:6>C#N)C2)cc1<mask_1:6> | 2 | 33 | 6 | c3 | 6 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3N(C)C#N)C2)cc1 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | c3N(C) |
<|startoftext|><L>N#Cc1ccc(C(=O)N2CCC<mask_1:4>[C@@H](Oc3nccnc3C#N)C2)cc1<mask_1:4> | 0 | 19 | 4 | 4 | N#Cc1ccc(C(=O)N2CCCN(C)[C@@H](Oc3nccnc3C#N)C2)cc1 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | N(C) |
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<|startoftext|><L>N#Cc1ccc(C(=O)N2CC<mask_1:6>C@@H](Oc3nccnc3C#N)C2)cc1<mask_1:6> | 2 | 18 | 6 | C[ | 6 | N#Cc1ccc(C(=O)N2CCN(C)C[C@@H](Oc3nccnc3C#N)C2)cc1 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | N(C)C[ |
<|startoftext|><L>N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C<mask_1:2>)cc1<mask_1:2> | 1 | 40 | 2 | 2 | 2 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)CC2)cc1 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | C2 |
<|startoftext|><L>N#<mask_1:6>ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1<mask_1:6> | 3 | 2 | 6 | Cc1 | 6 | N#CCCOc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | CCCOc1 |
<|startoftext|><L>N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccn<mask_1:2>N)C2)cc1<mask_1:2> | 4 | 33 | 2 | c3C# | 2 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3N)C2)cc1 | N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 | c3 |
<|startoftext|><L>Cc1cc(Br)ccc1OC<mask_1:1>=O)Nc1ccc(C(N)=O)cc1<mask_1:1> | 2 | 15 | 1 | C( | 1 | Cc1cc(Br)ccc1OC(=O)Nc1ccc(C(N)=O)cc1 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | ( |
<|startoftext|><L>Cc1cc(Br)ccc1OCC(=O)Nc1c<mask_1:3>cc(C(N)=O)cc1<mask_1:3> | 0 | 24 | 3 | 3 | Cc1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C(N)=O)cc1 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | (C) |
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<|startoftext|><L>Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=<mask_1:3>1<mask_1:3> | 4 | 32 | 3 | O)cc | 3 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)s1 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | O)s |
<|startoftext|><L>Cc1cc(Br)ccc1OCC<mask_1:5>Nc1ccc(C(N)=O)cc1<mask_1:5> | 4 | 16 | 5 | (=O) | 5 | Cc1cc(Br)ccc1OCCC(=O)Nc1ccc(C(N)=O)cc1 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | C(=O) |
<|startoftext|><L>Cc1cc(Br)ccc1OCC<mask_1:4>O)Nc1ccc(C(N)=O)cc1<mask_1:4> | 2 | 16 | 4 | (= | 4 | Cc1cc(Br)ccc1OCCCC(=O)Nc1ccc(C(N)=O)cc1 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | CC(= |
<|startoftext|><L>Cc1cc(Br)ccc1OCC(=O)Nc1c<mask_1:4>cc(C(N)=O)cc1<mask_1:4> | 0 | 24 | 4 | 4 | Cc1cc(Br)ccc1OCC(=O)Nc1c(Cl)cc(C(N)=O)cc1 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | (Cl) |
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<|startoftext|><L>Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=<mask_1:2>1<mask_1:2> | 4 | 32 | 2 | O)cc | 2 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)1 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | O) |
<|startoftext|><L>Cc1cc<mask_1:5>)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1<mask_1:5> | 3 | 5 | 5 | (Br | 5 | Cc1cc(C(C))ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | (C(C) |
<|startoftext|><L>Cc<mask_1:5>c(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1<mask_1:5> | 2 | 2 | 5 | 1c | 5 | Cc1c(N)c(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | 1c(N) |
<|startoftext|><L>Cc1cc<mask_1:3>r)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1<mask_1:3> | 2 | 5 | 3 | (B | 3 | Cc1cc(BBr)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | (BB |
<|startoftext|><L>CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)C<mask_1:3>1<mask_1:3> | 1 | 38 | 3 | C | 3 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CCCC1 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | CCC |
<|startoftext|><L>CC1CCN(C(=O)C<mask_1:2>c2ncc(-c3ccc(Br)cc3)o2)CC1<mask_1:2> | 1 | 13 | 2 | C | 2 | CC1CCN(C(=O)CSCc2ncc(-c3ccc(Br)cc3)o2)CC1 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | SC |
<|startoftext|><L>CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)<mask_1:3>)CC1<mask_1:3> | 2 | 34 | 3 | o2 | 2 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | o2 |
<|startoftext|><L>CC1CCN(C(=O)CCc2ncc<mask_1:6>c3ccc(Br)cc3)o2)CC1<mask_1:6> | 2 | 19 | 6 | (- | 6 | CC1CCN(C(=O)CCc2ncc(C(=O)c3ccc(Br)cc3)o2)CC1 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | (C(=O) |
<|startoftext|><L>CC1CCN(C(=O)CC<mask_1:6>ncc(-c3ccc(Br)cc3)o2)CC1<mask_1:6> | 2 | 14 | 6 | c2 | 6 | CC1CCN(C(=O)CC(=O)c2ncc(-c3ccc(Br)cc3)o2)CC1 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | (=O)c2 |
<|startoftext|><L>CC1CCN(C(=O)CCc2ncc(-c3cc<mask_1:3>c(Br)cc3)o2)CC1<mask_1:3> | 0 | 25 | 3 | 3 | CC1CCN(C(=O)CCc2ncc(-c3cc(F)c(Br)cc3)o2)CC1 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | (F) |
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<|startoftext|><L>CC1C<mask_1:5>O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1<mask_1:5> | 6 | 4 | 5 | CN(C(= | 5 | CC1CN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | N(C(= |
<|startoftext|><L>CC1CCN(C(=O)C<mask_1:4>2ncc(-c3ccc(Br)cc3)o2)CC1<mask_1:4> | 2 | 13 | 4 | Cc | 4 | CC1CCN(C(=O)CCCSc2ncc(-c3ccc(Br)cc3)o2)CC1 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | CCSc |
<|startoftext|><L>CC1CCN(C(=O)C<mask_1:4>c2ncc(-c3ccc(Br)cc3)o2)CC1<mask_1:4> | 1 | 13 | 4 | C | 4 | CC1CCN(C(=O)CCCCCc2ncc(-c3ccc(Br)cc3)o2)CC1 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | CCCC |
<|startoftext|><L>CC1C<mask_1:1>(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1<mask_1:1> | 2 | 4 | 1 | CN | 1 | CC1CN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 | N |
<|startoftext|><L>CN(C)CC<mask_1:2>Nc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2<mask_1:2> | 0 | 7 | 2 | 2 | CN(C)CCCCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | CC |
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<|startoftext|><L>CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(<mask_1:6>CC2<mask_1:6> | 4 | 35 | 6 | C)C) | 6 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CCCC2 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | C)C)CC |
<|startoftext|><L>CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C<mask_1:1>2<mask_1:1> | 3 | 38 | 1 | )CC | 1 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)2 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | ) |
<|startoftext|><L>CN(C)CCNc1nc<mask_1:1>c2c1CCN(S(=O)(=O)N(C)C)CC2<mask_1:1> | 4 | 12 | 1 | (N)n | 1 | CN(C)CCNc1ncnc2c1CCN(S(=O)(=O)N(C)C)CC2 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | n |
<|startoftext|><L>CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C<mask_1:5>CC2<mask_1:5> | 1 | 38 | 5 | ) | 5 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C(C)C)CC2 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | (C)C) |
<|startoftext|><L>CN(C)CCNc1nc(N)nc2<mask_1:3>CCN(S(=O)(=O)N(C)C)CC2<mask_1:3> | 2 | 18 | 3 | c1 | 3 | CN(C)CCNc1nc(N)nc2c1CCCN(S(=O)(=O)N(C)C)CC2 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | c1C |
<|startoftext|><L><mask_1:1>CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2<mask_1:1> | 0 | 0 | 1 | 1 | CCN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | C |
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<|startoftext|><L>CN<mask_1:4>Nc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2<mask_1:4> | 5 | 2 | 4 | (C)CC | 4 | CN(C)CNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | (C)C |
<|startoftext|><L>CN(C)CC<mask_1:3>(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2<mask_1:3> | 5 | 7 | 3 | Nc1nc | 3 | CN(C)CCn1c(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | n1c |
<|startoftext|><L>CN(C)CC<mask_1:6>c1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2<mask_1:6> | 1 | 7 | 6 | N | 6 | CN(C)CCN(C)CCc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 | N(C)CC |
<|startoftext|><L>C<mask_1:5>(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1<mask_1:5> | 4 | 1 | 5 | c1cc | 5 | COc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | Oc1cc |
<|startoftext|><L><mask_1:2>cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1<mask_1:2> | 3 | 0 | 2 | Cc1 | 2 | c1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | c1 |
<|startoftext|><L>Cc1cc(Cl)ccc1OCC(=O)<mask_1:2>N(C)c1nc2ccccc2o1<mask_1:2> | 0 | 20 | 2 | 2 | Cc1cc(Cl)ccc1OCC(=O)NCN(C)c1nc2ccccc2o1 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | NC |
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<|startoftext|><L>Cc1cc(Cl)ccc1OCC<mask_1:1>N(C)c1nc2ccccc2o1<mask_1:1> | 4 | 16 | 1 | (=O) | 1 | Cc1cc(Cl)ccc1OCCCN(C)c1nc2ccccc2o1 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | C |
<|startoftext|><L><mask_1:4>c1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1<mask_1:4> | 1 | 0 | 4 | C | 4 | CCCOc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | CCCO |
<|startoftext|><L>Cc1cc(Cl)ccc1OCC(=O)N(C)<mask_1:5>nc2ccccc2o1<mask_1:5> | 2 | 24 | 5 | c1 | 5 | Cc1cc(Cl)ccc1OCC(=O)N(C)CCCc1nc2ccccc2o1 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | CCCc1 |
<|startoftext|><L>Cc1cc<mask_1:3>ccc1OCC(=O)N(C)c1nc2ccccc2o1<mask_1:3> | 4 | 5 | 3 | (Cl) | 3 | Cc1cc(F)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | (F) |
<|startoftext|><L>Cc1cc(Cl)ccc1<mask_1:5>CC(=O)N(C)c1nc2ccccc2o1<mask_1:5> | 1 | 13 | 5 | O | 5 | Cc1cc(Cl)ccc1CN(C)CC(=O)N(C)c1nc2ccccc2o1 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | CN(C) |
<|startoftext|><L>Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2c<mask_1:4>cccc2o1<mask_1:4> | 0 | 30 | 4 | 4 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2c(Cl)cccc2o1 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | (Cl) |
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<|startoftext|><L>Cc1cc(Cl)ccc1OCC(<mask_1:5>(C)c1nc2ccccc2o1<mask_1:5> | 4 | 17 | 5 | =O)N | 5 | Cc1cc(Cl)ccc1OCC(=O)NC(C)c1nc2ccccc2o1 | Cc1cc(Cl)ccc1OCC(=O)N(C)c1nc2ccccc2o1 | =O)NC |
<|startoftext|><L>CCCO[C@@H]1C<mask_1:2>C[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N<mask_1:2> | 0 | 12 | 2 | 2 | CCCO[C@@H]1CCCC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | CC |
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<|startoftext|><L>CCCO[C@@H]1CC[C@H](C(=O)<mask_1:6>OCC2)C[C@H]1Nc1nccnc1C#N<mask_1:6> | 4 | 24 | 6 | N2CC | 6 | CCCO[C@@H]1CC[C@H](C(=O)NCC2CCOCC2)C[C@H]1Nc1nccnc1C#N | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | NCC2CC |
<|startoftext|><L>C<mask_1:5>C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N<mask_1:5> | 4 | 1 | 5 | CCO[ | 5 | CC(C)[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | C(C)[ |
<|startoftext|><L>CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C<mask_1:2>]1Nc1nccnc1C#N<mask_1:2> | 4 | 34 | 2 | [C@H | 2 | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C]1Nc1nccnc1C#N | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | [C |
<|startoftext|><L>CCC<mask_1:2>1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N<mask_1:2> | 7 | 3 | 2 | O[C@@H] | 2 | CCCCN1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | CN |
<|startoftext|><L><mask_1:3>@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N<mask_1:3> | 6 | 0 | 3 | CCCO[C | 3 | C[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | C[C |
<|startoftext|><L>CCCO[C@@H]1<mask_1:4>](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N<mask_1:4> | 6 | 11 | 4 | CC[C@H | 4 | CCCO[C@@H]1C[C@](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | C[C@ |
<|startoftext|><L>CCCO[C@@H]1CC[C@H](C(=O)N2CCO<mask_1:5>)C[C@H]1Nc1nccnc1C#N<mask_1:5> | 3 | 29 | 5 | CC2 | 5 | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2=O)C[C@H]1Nc1nccnc1C#N | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | CC2=O |
<|startoftext|><L>CCCO[C@@H]1CC[<mask_1:7>(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N<mask_1:7> | 6 | 14 | 7 | C@H](C | 7 | CCCO[C@@H]1CC[C@H](NC(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | C@H](NC |
<|startoftext|><L>CCCO[C@@H]1CC[C@H](C(=O)N2CC<mask_1:7>2)C[C@H]1Nc1nccnc1C#N<mask_1:7> | 3 | 28 | 7 | OCC | 7 | CCCO[C@@H]1CC[C@H](C(=O)N2CCC(CO)CC2)C[C@H]1Nc1nccnc1C#N | CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccnc1C#N | C(CO)CC |
<|startoftext|><L>COc1ccc(CN(C)C<mask_1:5>)c2ccc3c(c2)CCC3)c(OC)c1<mask_1:5> | 3 | 14 | 5 | (=O | 5 | COc1ccc(CN(C)C(C)(C)c2ccc3c(c2)CCC3)c(OC)c1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | (C)(C |
<|startoftext|><L>COc1cc<mask_1:5>N(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1<mask_1:5> | 3 | 6 | 5 | c(C | 5 | COc1ccc(OCCN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | c(OCC |
<|startoftext|><L>COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(O<mask_1:4>C)c1<mask_1:4> | 0 | 37 | 4 | 4 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC(C)C)c1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | C(C) |
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<|startoftext|><L>COc1ccc(CN(C)C(=O)c2ccc3c(c2)<mask_1:1>3)c(OC)c1<mask_1:1> | 3 | 29 | 1 | CCC | 1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)s3)c(OC)c1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | s |
<|startoftext|><L>COc1ccc(CN(C)C<mask_1:6>(=O)c2ccc3c(c2)CCC3)c(OC)c1<mask_1:6> | 0 | 14 | 6 | 6 | COc1ccc(CN(C)C(=O)CC(=O)c2ccc3c(c2)CCC3)c(OC)c1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | (=O)CC |
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<|startoftext|><L>COc1c<mask_1:5>CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1<mask_1:5> | 3 | 5 | 5 | cc( | 5 | COc1ccc(OCCN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | cc(OC |
<|startoftext|><L>CO<mask_1:6>ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1<mask_1:6> | 2 | 2 | 6 | c1 | 6 | COCCCOc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | CCCOc1 |
<|startoftext|><L>COc1ccc(CN(C)C(=O)c2c<mask_1:5>2)CCC3)c(OC)c1<mask_1:5> | 6 | 21 | 5 | cc3c(c | 5 | COc1ccc(CN(C)C(=O)c2cc3c(s2)CCC3)c(OC)c1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | c3c(s |
<|startoftext|><L>COc1ccc(CN<mask_1:5>C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1<mask_1:5> | 1 | 10 | 5 | ( | 5 | COc1ccc(CNCCCN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | CCCN( |
<|startoftext|><L>COc1ccc(CN(C)C(=O)c<mask_1:6>c3c(c2)CCC3)c(OC)c1<mask_1:6> | 3 | 19 | 6 | 2cc | 6 | COc1ccc(CN(C)C(=O)c2cc(C)c3c(c2)CCC3)c(OC)c1 | COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)c(OC)c1 | 2cc(C) |