prompt
stringlengths 49
285
| 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
18
|
|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>CCOc1ccc<mask_1:5>)c(B2OC(C)(C)C(C)(C)O2)c1<mask_1:5> | 2 | 8 | 5 | (F | 5 | CCOc1ccc(C=NO)c(B2OC(C)(C)C(C)(C)O2)c1 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | (C=NO |
<|startoftext|><L>CCOc1ccc<mask_1:3>F)c(B2OC(C)(C)C(C)(C)O2)c1<mask_1:3> | 1 | 8 | 3 | ( | 3 | CCOc1ccc(OCF)c(B2OC(C)(C)C(C)(C)O2)c1 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | (OC |
<|startoftext|><L>C<mask_1:4>1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1<mask_1:4> | 3 | 1 | 4 | COc | 4 | C#CCc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | #CCc |
<|startoftext|><L>CCOc1ccc(F)c(B2OC(C)(C)<mask_1:2>(C)O2)c1<mask_1:2> | 4 | 23 | 2 | C(C) | 2 | CCOc1ccc(F)c(B2OC(C)(C)CC(C)O2)c1 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | CC |
<|startoftext|><L><mask_1:2>COc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1<mask_1:2> | 1 | 0 | 2 | C | 2 | OCCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | OC |
<|startoftext|><L>C<mask_1:3>cc(F)c(B2OC(C)(C)C(C)(C)O2)c1<mask_1:3> | 5 | 1 | 3 | COc1c | 3 | Cc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | c1c |
<|startoftext|><L>CCOc1ccc(F)c(B2OC(C)(<mask_1:4>)(C)O2)c1<mask_1:4> | 5 | 21 | 4 | C)C(C | 5 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | C)C(C |
<|startoftext|><L>CCOc1ccc(F)c(B2OC(C)(C)C(C)<mask_1:4>O2)c1<mask_1:4> | 3 | 27 | 4 | (C) | 4 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)CO2)c1 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | (C)C |
<|startoftext|><L>CCOc1ccc(F)c(B2<mask_1:2>C(C)(C)C(C)(C)O2)c1<mask_1:2> | 1 | 15 | 2 | O | 2 | CCOc1ccc(F)c(B2OCC(C)(C)C(C)(C)O2)c1 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | OC |
<|startoftext|><L><mask_1:5>COc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1<mask_1:5> | 1 | 0 | 5 | C | 5 | CC(C)COc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | CCOc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | CC(C) |
<|startoftext|><L>COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c<mask_1:7>4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1<mask_1:7> | 0 | 35 | 7 | 7 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cccn4c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | 4cccn4c |
|
<|startoftext|><L>COc1cccc(Oc2cncc([C@@H]<mask_1:1>CCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1<mask_1:1> | 2 | 23 | 1 | 3C | 1 | COc1cccc(Oc2cncc([C@@H]3CCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | 3 |
<|startoftext|><L>COc<mask_1:8>1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1<mask_1:8> | 0 | 3 | 8 | 8 | COc1nccn1-c1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | 1nccn1-c |
|
<|startoftext|><L>COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc<mask_1:2>C)cc5C)nc4)C3)n2)c1<mask_1:2> | 1 | 45 | 2 | ( | 2 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(CC)cc5C)nc4)C3)n2)c1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | (C |
<|startoftext|><L>COc1cccc(Oc2cn<mask_1:4>c([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1<mask_1:4> | 1 | 14 | 4 | c | 4 | COc1cccc(Oc2cnc(C)c([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | c(C) |
<|startoftext|><L>COc1cccc(Oc2cnc<mask_1:7>3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1<mask_1:7> | 8 | 15 | 7 | c([C@@H] | 7 | COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | c([C@H] |
<|startoftext|><L>COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n<mask_1:1>cc5C)nc4)C3)n2)c1<mask_1:1> | 6 | 42 | 1 | 5nc(C) | 1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5cc5C)nc4)C3)n2)c1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | 5 |
<|startoftext|><L>COc1cccc(Oc2cncc([C@@H]3CCCN<mask_1:8>)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1<mask_1:8> | 5 | 28 | 8 | (C(=O | 9 | COc1cccc(Oc2cncc([C@@H]3CCCN(S(=O)(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | (S(=O)(=O |
<|startoftext|><L>COc1cccc(Oc2cncc([<mask_1:8>CCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1<mask_1:8> | 7 | 18 | 8 | C@@H]3C | 8 | COc1cccc(Oc2cncc([C@@H]3CCCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | C@@H]3CC |
<|startoftext|><L>COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)<mask_1:7>)C3)n2)c1<mask_1:7> | 8 | 48 | 7 | cc5C)nc4 | 8 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1 | cc5C)nc4 |
<|startoftext|><L>CCn1nc(CC(C)C)cc1C(=O<mask_1:4>C1CCSCC1<mask_1:4> | 5 | 21 | 4 | )N(C) | 4 | CCn1nc(CC(C)C)cc1C(=O)NCCC1CCSCC1 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | )NCC |
<|startoftext|><L>CCn1nc(CC<mask_1:2>C)cc1C(=O)N(C)C1CCSCC1<mask_1:2> | 3 | 9 | 2 | (C) | 2 | CCn1nc(CCCOC)cc1C(=O)N(C)C1CCSCC1 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | CO |
<|startoftext|><L>CCn1nc(CC<mask_1:1>(C)C)cc1C(=O)N(C)C1CCSCC1<mask_1:1> | 0 | 9 | 1 | 1 | CCn1nc(CCC(C)C)cc1C(=O)N(C)C1CCSCC1 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | C |
|
<|startoftext|><L>CCn1<mask_1:3>C(C)C)cc1C(=O)N(C)C1CCSCC1<mask_1:3> | 4 | 4 | 3 | nc(C | 3 | CCn1nc(C(C)C)cc1C(=O)N(C)C1CCSCC1 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | nc( |
<|startoftext|><L>CCn1nc(C<mask_1:5>C(C)C)cc1C(=O)N(C)C1CCSCC1<mask_1:5> | 0 | 8 | 5 | 5 | CCn1nc(C(=O)NC(C)C)cc1C(=O)N(C)C1CCSCC1 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | (=O)N |
|
<|startoftext|><L>CCn1nc(CC(C)C)cc1C(=O)N(C)C1C<mask_1:5>C1<mask_1:5> | 3 | 29 | 5 | CSC | 5 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCN(C)C1 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | CN(C) |
<|startoftext|><L>CCn1nc(CC(C)C)cc1C(=O)N<mask_1:5>)C1CCSCC1<mask_1:5> | 2 | 23 | 5 | (C | 5 | CCn1nc(CC(C)C)cc1C(=O)N(CCOC)C1CCSCC1 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | (CCOC |
<|startoftext|><L>C<mask_1:5>1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1<mask_1:5> | 2 | 1 | 5 | Cn | 5 | COCCCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | OCCCn |
<|startoftext|><L>CCn1nc(CC(C)C)cc1C(<mask_1:3>C)C1CCSCC1<mask_1:3> | 5 | 19 | 3 | =O)N( | 3 | CCn1nc(CC(C)C)cc1C(C)(C)C1CCSCC1 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | C)( |
<|startoftext|><L>CCn1nc(CC(C)C)cc1C(=O)N(C)C1C<mask_1:5>1<mask_1:5> | 4 | 29 | 5 | CSCC | 5 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCCCCC1 | CCn1nc(CC(C)C)cc1C(=O)N(C)C1CCSCC1 | CCCCC |
<|startoftext|><L>CCN1CCN(C(=O)CCc2cnn(<mask_1:5>ccccc3)c2)[C@H](C)C1<mask_1:5> | 3 | 21 | 5 | -c3 | 5 | CCN1CCN(C(=O)CCc2cnn(CCOc3ccccc3)c2)[C@H](C)C1 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CCOc3 |
<|startoftext|><L>CC<mask_1:6>N(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1<mask_1:6> | 4 | 2 | 6 | N1CC | 6 | CC(C)N1CN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | (C)N1C |
<|startoftext|><L>CCN<mask_1:2>CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1<mask_1:2> | 1 | 3 | 2 | 1 | 2 | CCN1CCCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | 1C |
<|startoftext|><L>CC<mask_1:1>N(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1<mask_1:1> | 4 | 2 | 1 | N1CC | 1 | CC1N(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | 1 |
<|startoftext|><L>CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2<mask_1:5>)[C@H](C)C1<mask_1:5> | 0 | 33 | 5 | 5 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C(=O)[C@H](C)C1 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | )C(=O |
|
<|startoftext|><L>CCN1CCN(C<mask_1:5>O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1<mask_1:5> | 2 | 9 | 5 | (= | 5 | CCN1CCN(CCNC(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CNC(= |
<|startoftext|><L>CCN1C<mask_1:2>N(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1<mask_1:2> | 1 | 5 | 2 | C | 2 | CCN1CCCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CC |
<|startoftext|><L>CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C<mask_1:3>C)C1<mask_1:3> | 4 | 36 | 3 | @H]( | 3 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[CH](C)C1 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | H]( |
<|startoftext|><L>CCN1CCN(<mask_1:5>O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1<mask_1:5> | 3 | 8 | 5 | C(= | 5 | CCN1CCN(CNC(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CNC(= |
<|startoftext|><L>CCN1CCN(C(=O)CC<mask_1:5>cnn(-c3ccccc3)c2)[C@H](C)C1<mask_1:5> | 2 | 15 | 5 | c2 | 5 | CCN1CCN(C(=O)CCCCOc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 | CCOc2 |
<|startoftext|><L>CC[C<mask_1:4>](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC<mask_1:4> | 3 | 4 | 4 | @@H | 3 | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | @@H |
<|startoftext|><L>CC<mask_1:2>C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC<mask_1:2> | 1 | 2 | 2 | [ | 2 | CCC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | C[ |
<|startoftext|><L>CC[C@@H](Oc1ccc(C)cc1C)C(=<mask_1:4>cc(Cl)ccc1OC<mask_1:4> | 5 | 26 | 4 | O)Nc1 | 4 | CC[C@@H](Oc1ccc(C)cc1C)C(=O)c1cc(Cl)ccc1OC | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | O)c1 |
<|startoftext|><L>CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1c<mask_1:3>Cl)ccc1OC<mask_1:3> | 2 | 32 | 3 | c( | 3 | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(CCl)ccc1OC | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | c(C |
<|startoftext|><L>CC[C@@H](Oc1ccc(C)cc<mask_1:4>O)Nc1cc(Cl)ccc1OC<mask_1:4> | 6 | 20 | 4 | 1C)C(= | 4 | CC[C@@H](Oc1ccc(C)cc1)C(O)Nc1cc(Cl)ccc1OC | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | 1)C( |
<|startoftext|><L><mask_1:6>@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC<mask_1:6> | 5 | 0 | 6 | CC[C@ | 6 | CCCC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | CCCC[C |
<|startoftext|><L>CC[C@@H](Oc1ccc(C)<mask_1:6>C)C(=O)Nc1cc(Cl)ccc1OC<mask_1:6> | 3 | 18 | 6 | cc1 | 6 | CC[C@@H](Oc1ccc(C)c(C)c1C)C(=O)Nc1cc(Cl)ccc1OC | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | c(C)c1 |
<|startoftext|><L>CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc<mask_1:2>OC<mask_1:2> | 1 | 40 | 2 | 1 | 2 | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1COC | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | 1C |
<|startoftext|><L>CC<mask_1:6>@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC<mask_1:6> | 3 | 2 | 6 | [C@ | 6 | CC(C)[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | (C)[C@ |
<|startoftext|><L>CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1<mask_1:4>C<mask_1:4> | 1 | 41 | 4 | O | 4 | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1N(C)C | CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC | N(C) |
<|startoftext|><L>Cc1c(NC(=S)N(Cc2ccccc<mask_1:5>)Cc2ccccc2)cnn1C<mask_1:5> | 1 | 21 | 5 | 2 | 5 | Cc1c(NC(=S)N(Cc2ccccc2)N(C)Cc2ccccc2)cnn1C | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | 2)N(C |
<|startoftext|><L>Cc1c(NC<mask_1:5>)N(Cc2ccccc2)Cc2ccccc2)cnn1C<mask_1:5> | 3 | 7 | 5 | (=S | 5 | Cc1c(NCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cnn1C | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | CC(=O |
<|startoftext|><L>Cc1c(NC(=S)N(Cc2ccccc2<mask_1:4>Cc2ccccc2)cnn1C<mask_1:4> | 1 | 22 | 4 | ) | 4 | Cc1c(NC(=S)N(Cc2ccccc2Cl)CCc2ccccc2)cnn1C | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | Cl)C |
<|startoftext|><L>Cc1c(NC(=S)N(Cc2ccccc2)Cc<mask_1:4>c2)cnn1C<mask_1:4> | 5 | 25 | 4 | 2cccc | 4 | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccsc2)cnn1C | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | 2ccs |
<|startoftext|><L>Cc1c(NC(=S)N(Cc2ccccc2)C<mask_1:3>c2ccccc2)cnn1C<mask_1:3> | 0 | 24 | 3 | 3 | Cc1c(NC(=S)N(Cc2ccccc2)CCCOc2ccccc2)cnn1C | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | CCO |
|
<|startoftext|><L>Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2<mask_1:3>1C<mask_1:3> | 4 | 32 | 3 | )cnn | 4 | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | )cnn |
<|startoftext|><L>Cc1c(N<mask_1:1>N(Cc2ccccc2)Cc2ccccc2)cnn1C<mask_1:1> | 5 | 6 | 1 | C(=S) | 1 | Cc1c(NCN(Cc2ccccc2)Cc2ccccc2)cnn1C | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | C |
<|startoftext|><L>Cc1c(NC(=S)N(Cc2ccccc2)C<mask_1:4>c2ccccc2)cnn1C<mask_1:4> | 0 | 24 | 4 | 4 | Cc1c(NC(=S)N(Cc2ccccc2)C(=O)c2ccccc2)cnn1C | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | (=O) |
|
<|startoftext|><L>Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1<mask_1:4>C<mask_1:4> | 0 | 37 | 4 | 4 | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C(C)C | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | C(C) |
|
<|startoftext|><L>Cc1c(<mask_1:4>C(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C<mask_1:4> | 1 | 5 | 4 | N | 4 | Cc1c(C(O)C(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | Cc1c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cnn1C | C(O) |
<|startoftext|><L>CN<mask_1:5>ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1<mask_1:5> | 2 | 2 | 5 | c1 | 5 | CN(C)c1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | (C)c1 |
<|startoftext|><L>CNc1<mask_1:1>ccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1<mask_1:1> | 2 | 4 | 1 | cc | 1 | CNc1sccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | s |
<|startoftext|><L>CNc1ccccc1C(=O)OCC(=O)<mask_1:5>O)Cc1ccccc1<mask_1:5> | 4 | 22 | 5 | NC(= | 5 | CNc1ccccc1C(=O)OCC(=O)N(CCCO)Cc1ccccc1 | CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | N(CCC |
<|startoftext|><L>CNc1ccccc1C(=O<mask_1:3>OCC(=O)NC(=O)Cc1ccccc1<mask_1:3> | 1 | 14 | 3 | ) | 3 | CNc1ccccc1C(=O)NCOCC(=O)NC(=O)Cc1ccccc1 | CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | )NC |
<|startoftext|><L>CNc1ccccc1C(=O)OCC(<mask_1:2>O)NC(=O)Cc1ccccc1<mask_1:2> | 1 | 19 | 2 | = | 2 | CNc1ccccc1C(=O)OCC(=NO)NC(=O)Cc1ccccc1 | CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | =N |
<|startoftext|><L>CNc1ccccc1C(=O)OCC(=<mask_1:5>NC(=O)Cc1ccccc1<mask_1:5> | 2 | 20 | 5 | O) | 5 | CNc1ccccc1C(=O)OCC(=O)NCCNC(=O)Cc1ccccc1 | CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | O)NCC |
<|startoftext|><L><mask_1:3>cccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1<mask_1:3> | 5 | 0 | 3 | CNc1c | 3 | Cn1cccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | Cn1 |
<|startoftext|><L>CNc1ccccc1C(=O)O<mask_1:4>)NC(=O)Cc1ccccc1<mask_1:4> | 5 | 16 | 4 | CC(=O | 4 | CNc1ccccc1C(=O)OC(=O)NC(=O)Cc1ccccc1 | CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | C(=O |
<|startoftext|><L>CNc1ccccc1C(<mask_1:4>)OCC(=O)NC(=O)Cc1ccccc1<mask_1:4> | 2 | 12 | 4 | =O | 4 | CNc1ccccc1C(C)(C)OCC(=O)NC(=O)Cc1ccccc1 | CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | C)(C |
<|startoftext|><L>CNc1ccccc1<mask_1:2>O)OCC(=O)NC(=O)Cc1ccccc1<mask_1:2> | 3 | 10 | 2 | C(= | 2 | CNc1ccccc1C(O)OCC(=O)NC(=O)Cc1ccccc1 | CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 | C( |
<|startoftext|><L>COCC1(C<mask_1:7>C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1<mask_1:7> | 6 | 7 | 7 | (=O)N[ | 7 | COCC1(CNC(=O)[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | NC(=O)[ |
<|startoftext|><L>COCC1(C(=O)N[C<mask_1:7>2COC[C@H]2Cc2ccnc3ccccc23)CCC1<mask_1:7> | 4 | 14 | 7 | @@H] | 7 | COCC1(C(=O)N[C@H](C)N2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | @H](C)N |
<|startoftext|><L>COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc<mask_1:5>CC1<mask_1:5> | 4 | 41 | 5 | 23)C | 5 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCCC1 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | 23)CC |
<|startoftext|><L>COCC1<mask_1:3>[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1<mask_1:3> | 7 | 5 | 3 | (C(=O)N | 3 | COCC1(CN[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | (CN |
<|startoftext|><L>COCC1(C(=O)N[C@@H]2COC[C@H]2C<mask_1:5>2ccnc3ccccc23)CCC1<mask_1:5> | 1 | 29 | 5 | c | 5 | COCC1(C(=O)N[C@@H]2COC[C@H]2CN(C)c2ccnc3ccccc23)CCC1 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | N(C)c |
<|startoftext|><L><mask_1:2>OCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1<mask_1:2> | 1 | 0 | 2 | C | 2 | CCOCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | CC |
<|startoftext|><L>COCC1(C(=O)N[C@@<mask_1:3>OC[C@H]2Cc2ccnc3ccccc23)CCC1<mask_1:3> | 4 | 16 | 3 | H]2C | 3 | COCC1(C(=O)N[C@@H]2OC[C@H]2Cc2ccnc3ccccc23)CCC1 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | H]2 |
<|startoftext|><L>COCC1(C(=O)N[C@@H]<mask_1:3>C@H]2Cc2ccnc3ccccc23)CCC1<mask_1:3> | 5 | 18 | 3 | 2COC[ | 3 | COCC1(C(=O)N[C@@H]2C[C@H]2Cc2ccnc3ccccc23)CCC1 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | 2C[ |
<|startoftext|><L><mask_1:1>COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1<mask_1:1> | 0 | 0 | 1 | 1 | CCOCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | C |
|
<|startoftext|><L>C<mask_1:2>CC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1<mask_1:2> | 1 | 1 | 2 | O | 2 | COCCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 | OC |
<|startoftext|><L>C<mask_1:5>c(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1<mask_1:5> | 4 | 1 | 5 | c1cc | 5 | CCc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | Cc1cc |
<|startoftext|><L>C<mask_1:6>cc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1<mask_1:6> | 3 | 1 | 6 | c1c | 6 | CCCCc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | CCCc1c |
<|startoftext|><L><mask_1:5>c1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1<mask_1:5> | 1 | 0 | 5 | C | 5 | CN(C)c1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | CN(C) |
<|startoftext|><L>Cc1ccc(/C=C/C(=O<mask_1:3>Cc2nn(-c3ccccc3)c3c2CCC3)o1<mask_1:3> | 2 | 16 | 3 | )N | 3 | Cc1ccc(/C=C/C(=O)NCCc2nn(-c3ccccc3)c3c2CCC3)o1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | )NC |
<|startoftext|><L>Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2C<mask_1:2>)o1<mask_1:2> | 3 | 39 | 2 | CC3 | 2 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CC3)o1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | C3 |
<|startoftext|><L>C<mask_1:5>1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1<mask_1:5> | 1 | 1 | 5 | c | 5 | CC(C)c1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | C(C)c |
<|startoftext|><L>Cc1ccc(/C=C/C(=O)NCc2nn(-c<mask_1:1>ccc3)c3c2CCC3)o1<mask_1:1> | 3 | 26 | 1 | 3cc | 1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccc3)c3c2CCC3)o1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | 3 |
<|startoftext|><L>Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc<mask_1:4>2CCC3)o1<mask_1:4> | 5 | 32 | 4 | 3)c3c | 4 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c32CCC3)o1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | 3)c3 |
<|startoftext|><L>Cc1ccc(/C=C/C(=O)<mask_1:5>nn(-c3ccccc3)c3c2CCC3)o1<mask_1:5> | 4 | 17 | 5 | NCc2 | 5 | Cc1ccc(/C=C/C(=O)NCCc2nn(-c3ccccc3)c3c2CCC3)o1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | NCCc2 |
<|startoftext|><L>Cc1ccc(/C=C/C<mask_1:1>NCc2nn(-c3ccccc3)c3c2CCC3)o1<mask_1:1> | 4 | 13 | 1 | (=O) | 1 | Cc1ccc(/C=C/C=NCc2nn(-c3ccccc3)c3c2CCC3)o1 | Cc1ccc(/C=C/C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)o1 | = |
<|startoftext|><L>Cn1cc(C(F)(F)F)cc(Sc2ccc<mask_1:3>Cl)cc2)c1=O<mask_1:3> | 1 | 24 | 3 | ( | 3 | Cn1cc(C(F)(F)F)cc(Sc2ccc(OCCl)cc2)c1=O | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | (OC |
<|startoftext|><L>C<mask_1:5>cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O<mask_1:5> | 2 | 1 | 5 | n1 | 5 | COCCn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | OCCn1 |
<|startoftext|><L>Cn1cc(C(F)<mask_1:5>)cc(Sc2ccc(Cl)cc2)c1=O<mask_1:5> | 4 | 10 | 5 | (F)F | 5 | Cn1cc(C(F)(F)Cl)cc(Sc2ccc(Cl)cc2)c1=O | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | (F)Cl |
<|startoftext|><L>Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc<mask_1:2>)c1=O<mask_1:2> | 1 | 30 | 2 | 2 | 2 | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2N)c1=O | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | 2N |
<|startoftext|><L>Cn1cc(C(F)(F)F)cc(<mask_1:4>c2ccc(Cl)cc2)c1=O<mask_1:4> | 1 | 18 | 4 | S | 4 | Cn1cc(C(F)(F)F)cc(NCCNc2ccc(Cl)cc2)c1=O | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | NCCN |
<|startoftext|><L>Cn1cc(<mask_1:2>C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O<mask_1:2> | 0 | 6 | 2 | 2 | Cn1cc(SCC(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | SC |
|
<|startoftext|><L>Cn1cc(C(F)(F)F)cc(Sc2cc<mask_1:5>)cc2)c1=O<mask_1:5> | 4 | 23 | 5 | c(Cl | 5 | Cn1cc(C(F)(F)F)cc(Sc2ccc(C=O)cc2)c1=O | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | c(C=O |
<|startoftext|><L>Cn1cc(C(F)(F)F)<mask_1:5>Sc2ccc(Cl)cc2)c1=O<mask_1:5> | 3 | 15 | 5 | cc( | 5 | Cn1cc(C(F)(F)F)nc(CCSc2ccc(Cl)cc2)c1=O | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | nc(CC |
<|startoftext|><L>Cn1cc(C(F)(F)F)cc(Sc2c<mask_1:4>Cl)cc2)c1=O<mask_1:4> | 3 | 22 | 4 | cc( | 4 | Cn1cc(C(F)(F)F)cc(Sc2ccc(CCl)cc2)c1=O | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | cc(C |
<|startoftext|><L>Cn1cc(<mask_1:5>)(F)F)cc(Sc2ccc(Cl)cc2)c1=O<mask_1:5> | 3 | 6 | 5 | C(F | 5 | Cn1cc(CNC(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | Cn1cc(C(F)(F)F)cc(Sc2ccc(Cl)cc2)c1=O | CNC(F |