prompt
stringlengths 47
203
| first_mask_count
int64 0
16
| first_start_index
int64 0
157
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 10
174
| original_smiles
stringlengths 10
164
| generated_tokens
stringlengths 0
18
|
|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>COc1ccc(CN(Cc2c<mask_1:3>2)C(=O)c2cc(-c3ccccc3F)no2)cc1<mask_1:3> | 4 | 15 | 3 | ccnc | 3 | COc1ccc(CN(Cc2cscn2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | scn |
<|startoftext|><L><mask_1:5>c(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1<mask_1:5> | 6 | 0 | 5 | COc1cc | 5 | Cc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | Cc1cc |
<|startoftext|><L>COc1ccc(CN(Cc2cccnc2)C(=O)c2<mask_1:5>-c3ccccc3F)no2)cc1<mask_1:5> | 3 | 28 | 5 | cc( | 5 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(CC-c3ccccc3F)no2)cc1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | cc(CC |
<|startoftext|><L>COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3<mask_1:1>F)no2)cc1<mask_1:1> | 0 | 40 | 1 | 1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3CF)no2)cc1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | C |
|
<|startoftext|><L>COc1ccc(CN(Cc2cc<mask_1:7>2)C(=O)c2cc(-c3ccccc3F)no2)cc1<mask_1:7> | 3 | 16 | 7 | cnc | 7 | COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | c(OC)cc |
<|startoftext|><L>COc1ccc(CN(C<mask_1:5>cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1<mask_1:5> | 2 | 12 | 5 | c2 | 5 | COc1ccc(CN(C)N(c2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | )N(c2 |
<|startoftext|><L>COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccc<mask_1:3>)no2)cc1<mask_1:3> | 4 | 37 | 3 | cc3F | 3 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3)no2)cc1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | cc3 |
<|startoftext|><L>COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)n<mask_1:7>c1<mask_1:7> | 4 | 43 | 7 | o2)c | 7 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)n[nH]2)cc1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | [nH]2)c |
<|startoftext|><L>COc1ccc(CN(Cc2cccn<mask_1:2>O)c2cc(-c3ccccc3F)no2)cc1<mask_1:2> | 6 | 18 | 2 | c2)C(= | 2 | COc1ccc(CN(Cc2cccnc2O)c2cc(-c3ccccc3F)no2)cc1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | c2 |
<|startoftext|><L>C<mask_1:7>c1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1<mask_1:7> | 1 | 1 | 7 | O | 7 | CCOC(=O)c1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 | COC(=O) |
<|startoftext|><L>Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)<mask_1:5>cc1F<mask_1:5> | 1 | 47 | 5 | c | 5 | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)c(Cl)cc1F | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | c(Cl) |
<|startoftext|><L>Cc1cc(CN2CC3(C2)OC<mask_1:5>(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F<mask_1:5> | 0 | 18 | 5 | 5 | Cc1cc(CN2CC3(C2)OC(=O)C(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | (=O)C |
|
<|startoftext|><L>Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4c<mask_1:1>cc4)C[C@H]23)ccc1F<mask_1:1> | 2 | 32 | 1 | cc | 1 | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4cscc4)C[C@H]23)ccc1F | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | s |
<|startoftext|><L>Cc1cc(CN2CC3(C2)OC(<mask_1:7>CCN(Cc4ccccc4)C[C@H]23)ccc1F<mask_1:7> | 5 | 19 | 7 | =O)N2 | 7 | Cc1cc(CN2CC3(C2)OC(=O)N2CCCCN(Cc4ccccc4)C[C@H]23)ccc1F | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | =O)N2CC |
<|startoftext|><L>Cc1cc(CN2CC3(C2)OC(=O)N2CCN(<mask_1:6>c4)C[C@H]23)ccc1F<mask_1:6> | 7 | 28 | 6 | Cc4cccc | 6 | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(c4cccnc4)C[C@H]23)ccc1F | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | c4cccn |
<|startoftext|><L>Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccc<mask_1:3>[C@H]23)ccc1F<mask_1:3> | 5 | 34 | 3 | cc4)C | 3 | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4cccs4)[C@H]23)ccc1F | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | s4) |
<|startoftext|><L>Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H<mask_1:3>c1F<mask_1:3> | 6 | 43 | 3 | ]23)cc | 4 | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)c1F | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | ]23) |
<|startoftext|><L>Cc1cc(CN2CC3(<mask_1:4>=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F<mask_1:4> | 6 | 13 | 4 | C2)OC( | 4 | Cc1cc(CN2CC3(CCC2=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | CCC2 |
<|startoftext|><L>Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)<mask_1:4>@H]23)ccc1F<mask_1:4> | 3 | 38 | 4 | C[C | 4 | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)ccc1F | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | C[C@ |
<|startoftext|><L>Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]<mask_1:3>1F<mask_1:3> | 6 | 44 | 3 | 23)ccc | 3 | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)1F | Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1F | 23) |
<|startoftext|><L>CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1<mask_1:8>1ccccc1)N(C)C<mask_1:8> | 2 | 39 | 8 | Cc | 8 | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1C/C=C/Cc1ccccc1)N(C)C | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | C/C=C/Cc |
<|startoftext|><L>CC[C@H](c1nnc(SCc2nc3cc<mask_1:4>[nH]2)n1Cc1ccccc1)N(C)C<mask_1:4> | 8 | 23 | 4 | sc3c(=O) | 4 | CC[C@H](c1nnc(SCc2nc3ccccc3[nH]2)n1Cc1ccccc1)N(C)C | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | ccc3 |
<|startoftext|><L>CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1C<mask_1:5>cccc1)N(C)C<mask_1:5> | 3 | 40 | 5 | c1c | 5 | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1CCOc1ccccc1)N(C)C | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | COc1c |
<|startoftext|><L>CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N<mask_1:7>)C<mask_1:7> | 2 | 50 | 7 | (C | 7 | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C(=O)C | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | (C)C(=O |
<|startoftext|><L>CC[C@H](c1nnc(SC<mask_1:6>2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C<mask_1:6> | 1 | 16 | 6 | c | 6 | CC[C@H](c1nnc(SCC(=O)c2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | C(=O)c |
<|startoftext|><L>CC[C@H](c<mask_1:5>Cc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C<mask_1:5> | 6 | 9 | 5 | 1nnc(S | 5 | CC[C@H](c1nnc(Cc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | 1nnc( |
<|startoftext|><L>CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1cc<mask_1:3>)C<mask_1:3> | 8 | 44 | 3 | ccc1)N(C | 3 | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccco1)C | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | co1 |
<|startoftext|><L>CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1C<mask_1:7>1ccccc1)N(C)C<mask_1:7> | 1 | 40 | 7 | c | 7 | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1CC(=O)Nc1ccccc1)N(C)C | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | C(=O)Nc |
<|startoftext|><L>CC[C@H](c1nnc(SCc2nc3c<mask_1:5>c(=O)[nH]2)n1Cc1ccccc1)N(C)C<mask_1:5> | 4 | 22 | 5 | csc3 | 5 | CC[C@H](c1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | cccc3 |
<|startoftext|><L>CC[C@H](c1nnc(SCc2nc3ccsc3c(=O<mask_1:3>)n1Cc1ccccc1)N(C)C<mask_1:3> | 6 | 30 | 3 | )[nH]2 | 3 | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)o2)n1Cc1ccccc1)N(C)C | CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C | )o2 |
<|startoftext|><L>Cc1nc(N2CCOCC2)ccc1C(<mask_1:3>CNC(=O)OC(C)(C)C<mask_1:3> | 6 | 21 | 3 | =O)CCC | 3 | Cc1nc(N2CCOCC2)ccc1C(=O)CNC(=O)OC(C)(C)C | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | =O) |
<|startoftext|><L>Cc1nc(N2CCOCC2)<mask_1:6>C(=O)CCCCNC(=O)OC(C)(C)C<mask_1:6> | 4 | 15 | 6 | ccc1 | 6 | Cc1nc(N2CCOCC2)ncc1CNC(=O)CCCCNC(=O)OC(C)(C)C | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | ncc1CN |
<|startoftext|><L>Cc1nc(N2CCOCC2)ccc1C(=O)C<mask_1:1>=O)OC(C)(C)C<mask_1:1> | 6 | 25 | 1 | CCCNC( | 1 | Cc1nc(N2CCOCC2)ccc1C(=O)C(=O)OC(C)(C)C | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | ( |
<|startoftext|><L>Cc1nc(N2CCOCC2)<mask_1:4>c1C(=O)CCCCNC(=O)OC(C)(C)C<mask_1:4> | 2 | 15 | 4 | cc | 4 | Cc1nc(N2CCOCC2)[nH]c1C(=O)CCCCNC(=O)OC(C)(C)C | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | [nH] |
<|startoftext|><L>Cc1nc(N2CCOC<mask_1:3>1C(=O)CCCCNC(=O)OC(C)(C)C<mask_1:3> | 6 | 12 | 3 | C2)ccc | 4 | Cc1nc(N2CCOC2)sc1C(=O)CCCCNC(=O)OC(C)(C)C | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | 2)sc |
<|startoftext|><L>Cc1nc(N2CC<mask_1:6>OCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C<mask_1:6> | 0 | 10 | 6 | 6 | Cc1nc(N2CCCC(=O)OCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | CC(=O) |
|
<|startoftext|><L>Cc1nc(N2CCOCC2)ccc1C(=O)CCCC<mask_1:5>OC(C)(C)C<mask_1:5> | 6 | 28 | 5 | NC(=O) | 5 | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCC(=O)OC(C)(C)C | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | C(=O) |
<|startoftext|><L>Cc1nc(N2C<mask_1:6>2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C<mask_1:6> | 4 | 9 | 6 | COCC | 6 | Cc1nc(N2CCCCCCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | CCCCCC |
<|startoftext|><L>Cc1nc(N2<mask_1:2>C2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C<mask_1:2> | 4 | 8 | 2 | CCOC | 2 | Cc1nc(N2CCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | CC |
<|startoftext|><L>Cc1nc(N2CCOCC2)ccc1C(=O)CCCC<mask_1:2>OC(C)(C)C<mask_1:2> | 6 | 28 | 2 | NC(=O) | 2 | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCCCOC(C)(C)C | Cc1nc(N2CCOCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C | CC |
<|startoftext|><L>Cc1ccc(C(=O)CN2CCN(c3ccc(<mask_1:3>cc3)CC2)c(C)c1<mask_1:3> | 2 | 25 | 3 | F) | 3 | Cc1ccc(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c(C)c1 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | Cl) |
<|startoftext|><L>Cc1ccc(C(=O)C<mask_1:6>2CCN(c3ccc(F)cc3)CC2)c(C)c1<mask_1:6> | 1 | 13 | 6 | N | 6 | Cc1ccc(C(=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | C(=O)N |
<|startoftext|><L>Cc1ccc(C(=O)CN2CCN(<mask_1:6>(F)cc3)CC2)c(C)c1<mask_1:6> | 5 | 19 | 6 | c3ccc | 6 | Cc1ccc(C(=O)CN2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | Cc3ccc |
<|startoftext|><L>Cc1ccc(C(=O)CN<mask_1:1>2CCN(c3ccc(F)cc3)CC2)c(C)c1<mask_1:1> | 0 | 14 | 1 | 1 | Cc1ccc(C(=O)CNC2CCN(c3ccc(F)cc3)CC2)c(C)c1 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | C |
|
<|startoftext|><L>Cc1ccc<mask_1:4>=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1<mask_1:4> | 3 | 6 | 4 | (C( | 4 | Cc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | (NC( |
<|startoftext|><L>C<mask_1:5>1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1<mask_1:5> | 1 | 1 | 5 | c | 5 | CCCCOc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | CCCOc |
<|startoftext|><L>Cc1ccc(C(=O)CN2CCN(c3ccc(F)c<mask_1:5>)c(C)c1<mask_1:5> | 6 | 28 | 5 | c3)CC2 | 5 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)C2)c(C)c1 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | c3)C2 |
<|startoftext|><L>Cc1ccc(C(=O)CN2CC<mask_1:6>c3ccc(F)cc3)CC2)c(C)c1<mask_1:6> | 2 | 17 | 6 | N( | 6 | Cc1ccc(C(=O)CN2CCN(CCCOc3ccc(F)cc3)CC2)c(C)c1 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | N(CCCO |
<|startoftext|><L>Cc1ccc(C(=O<mask_1:5>)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1<mask_1:5> | 0 | 11 | 5 | 5 | Cc1ccc(C(=O)C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | )C(=O |
|
<|startoftext|><L>Cc1ccc(C(=O)CN2CCN(c3ccc(<mask_1:2>F)cc3)CC2)c(C)c1<mask_1:2> | 0 | 25 | 2 | 2 | Cc1ccc(C(=O)CN2CCN(c3ccc(OCF)cc3)CC2)c(C)c1 | Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 | OC |
|
<|startoftext|><L>Cn1ncnc1SCc1nc<mask_1:4>(C(C)(C)C)o1<mask_1:4> | 1 | 14 | 4 | c | 4 | Cn1ncnc1SCc1nc(C)c(C(C)(C)C)o1 | Cn1ncnc1SCc1ncc(C(C)(C)C)o1 | (C)c |
<|startoftext|><L>Cn1ncnc<mask_1:2>c1ncc(C(C)(C)C)o1<mask_1:2> | 3 | 7 | 2 | 1SC | 2 | Cn1ncnc1-c1ncc(C(C)(C)C)o1 | Cn1ncnc1SCc1ncc(C(C)(C)C)o1 | 1- |
<|startoftext|><L>Cn1ncnc1SCc1nc<mask_1:3>(C(C)(C)C)o1<mask_1:3> | 1 | 14 | 3 | c | 3 | Cn1ncnc1SCc1nc(C)(C(C)(C)C)o1 | Cn1ncnc1SCc1ncc(C(C)(C)C)o1 | (C) |
<|startoftext|><L>Cn1ncnc1SCc1ncc<mask_1:3>(C)(C)C)o1<mask_1:3> | 2 | 15 | 3 | (C | 3 | Cn1ncnc1SCc1ncc(CC(C)(C)C)o1 | Cn1ncnc1SCc1ncc(C(C)(C)C)o1 | (CC |
<|startoftext|><L>Cn1ncn<mask_1:1>c1ncc(C(C)(C)C)o1<mask_1:1> | 4 | 6 | 1 | c1SC | 1 | Cn1ncn1c1ncc(C(C)(C)C)o1 | Cn1ncnc1SCc1ncc(C(C)(C)C)o1 | 1 |
<|startoftext|><L><mask_1:1>Cn1ncnc1SCc1ncc(C(C)(C)C)o1<mask_1:1> | 0 | 0 | 1 | 1 | CCn1ncnc1SCc1ncc(C(C)(C)C)o1 | Cn1ncnc1SCc1ncc(C(C)(C)C)o1 | C |
|
<|startoftext|><L>Cn1ncnc1SC<mask_1:4>c1ncc(C(C)(C)C)o1<mask_1:4> | 0 | 10 | 4 | 4 | Cn1ncnc1SC(=O)c1ncc(C(C)(C)C)o1 | Cn1ncnc1SCc1ncc(C(C)(C)C)o1 | (=O) |
|
<|startoftext|><L>Cn1ncnc1SCc1<mask_1:2>(C(C)(C)C)o1<mask_1:2> | 3 | 12 | 2 | ncc | 2 | Cn1ncnc1SCc1nn(C(C)(C)C)o1 | Cn1ncnc1SCc1ncc(C(C)(C)C)o1 | nn |
<|startoftext|><L>Cn1ncnc1SCc1ncc(C(C)(C)C)<mask_1:2>1<mask_1:2> | 1 | 25 | 2 | o | 2 | Cn1ncnc1SCc1ncc(C(C)(C)C)cn1 | Cn1ncnc1SCc1ncc(C(C)(C)C)o1 | cn |
<|startoftext|><L>Cn1ncnc1<mask_1:4>Cc1ncc(C(C)(C)C)o1<mask_1:4> | 1 | 8 | 4 | S | 4 | Cn1ncnc1CCCNCc1ncc(C(C)(C)C)o1 | Cn1ncnc1SCc1ncc(C(C)(C)C)o1 | CCCN |
<|startoftext|><L>Cc1c<mask_1:3>cccc1/C=C/C(=O)c1ccco1<mask_1:3> | 0 | 4 | 3 | 3 | Cc1c(I)cccc1/C=C/C(=O)c1ccco1 | Cc1ccccc1/C=C/C(=O)c1ccco1 | (I) |
|
<|startoftext|><L>Cc1ccccc<mask_1:3>/C=C/C(=O)c1ccco1<mask_1:3> | 1 | 8 | 3 | 1 | 3 | Cc1ccccc1CN/C=C/C(=O)c1ccco1 | Cc1ccccc1/C=C/C(=O)c1ccco1 | 1CN |
<|startoftext|><L>Cc1ccccc1/C=C/<mask_1:3>(=O)c1ccco1<mask_1:3> | 1 | 14 | 3 | C | 3 | Cc1ccccc1/C=C/CNC(=O)c1ccco1 | Cc1ccccc1/C=C/C(=O)c1ccco1 | CNC |
<|startoftext|><L>Cc1ccccc1/C=C/C(=O<mask_1:3>c1ccco1<mask_1:3> | 1 | 18 | 3 | ) | 3 | Cc1ccccc1/C=C/C(=O)NCc1ccco1 | Cc1ccccc1/C=C/C(=O)c1ccco1 | )NC |
<|startoftext|><L>Cc1ccccc1/C=C<mask_1:2>C(=O)c1ccco1<mask_1:2> | 1 | 13 | 2 | / | 2 | Cc1ccccc1/C=C/NC(=O)c1ccco1 | Cc1ccccc1/C=C/C(=O)c1ccco1 | /N |
<|startoftext|><L>Cc1ccccc1/C=C/C(=O)c1c<mask_1:1>1<mask_1:1> | 3 | 22 | 1 | cco | 1 | Cc1ccccc1/C=C/C(=O)c1cs1 | Cc1ccccc1/C=C/C(=O)c1ccco1 | s |
<|startoftext|><L>Cc1ccccc1/C=C/C(=O)c1c<mask_1:1>1<mask_1:1> | 3 | 22 | 1 | cco | 1 | Cc1ccccc1/C=C/C(=O)c1cs1 | Cc1ccccc1/C=C/C(=O)c1ccco1 | s |
<|startoftext|><L>Cc1ccccc1/C=C/C(=O)<mask_1:3>ccco1<mask_1:3> | 2 | 19 | 3 | c1 | 3 | Cc1ccccc1/C=C/C(=O)Nc1ccco1 | Cc1ccccc1/C=C/C(=O)c1ccco1 | Nc1 |
<|startoftext|><L>C<mask_1:1>c1ccccc1/C=C/C(=O)c1ccco1<mask_1:1> | 0 | 1 | 1 | 1 | COc1ccccc1/C=C/C(=O)c1ccco1 | Cc1ccccc1/C=C/C(=O)c1ccco1 | O |
|
<|startoftext|><L>C<mask_1:2>1ccccc1/C=C/C(=O)c1ccco1<mask_1:2> | 1 | 1 | 2 | c | 2 | COc1ccccc1/C=C/C(=O)c1ccco1 | Cc1ccccc1/C=C/C(=O)c1ccco1 | Oc |
<|startoftext|><L>NC(=O<mask_1:6>)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1<mask_1:6> | 0 | 5 | 6 | 6 | NC(=O)NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | )NC(=O |
|
<|startoftext|><L>NC(=O)c1cc(CNC(=O)C2CCN(c3nc4c<mask_1:5>3)CC2)on1<mask_1:5> | 6 | 30 | 5 | cccc4s | 5 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc43)CC2)on1 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | cccc4 |
<|startoftext|><L>N<mask_1:4>1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1<mask_1:4> | 6 | 1 | 4 | C(=O)c | 4 | N#CCc1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | #CCc |
<|startoftext|><L>NC(=O<mask_1:3>1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1<mask_1:3> | 2 | 5 | 3 | )c | 3 | NC(=O)Cc1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | )Cc |
<|startoftext|><L>NC(=O)c1cc(CNC(=<mask_1:6>O)C2CCN(c3nc4ccccc4s3)CC2)on1<mask_1:6> | 0 | 16 | 6 | 6 | NC(=O)c1cc(CNC(=O)CC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | O)CC(= |
|
<|startoftext|><L>NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3<mask_1:6>)on1<mask_1:6> | 4 | 37 | 6 | )CC2 | 6 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2=O)on1 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | )CC2=O |
<|startoftext|><L>NC(=O)c1cc(C<mask_1:2>)C2CCN(c3nc4ccccc4s3)CC2)on1<mask_1:2> | 5 | 12 | 2 | NC(=O | 2 | NC(=O)c1cc(C(O)C2CCN(c3nc4ccccc4s3)CC2)on1 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | (O |
<|startoftext|><L>NC(=O)c1cc(CNC(=O)C2CCN(c3nc4cccc<mask_1:4>s3)CC2)on1<mask_1:4> | 2 | 33 | 4 | c4 | 4 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4ncs3)CC2)on1 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | c4nc |
<|startoftext|><L>NC(=<mask_1:5>c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1<mask_1:5> | 2 | 4 | 5 | O) | 5 | NC(=O)CCCc1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | O)CCC |
<|startoftext|><L>NC(=O)c1cc(CNC(=O)C2CC<mask_1:3>c3nc4ccccc4s3)CC2)on1<mask_1:3> | 2 | 22 | 3 | N( | 3 | NC(=O)c1cc(CNC(=O)C2CCN(Cc3nc4ccccc4s3)CC2)on1 | NC(=O)c1cc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)on1 | N(C |
<|startoftext|><L>COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(<mask_1:3>CC3)cc(Br)c1OC<mask_1:3> | 4 | 33 | 3 | =O)C | 3 | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CC3)cc(Br)c1OC | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | =O) |
<|startoftext|><L>COc1cc(<mask_1:5>C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC<mask_1:5> | 0 | 7 | 5 | 5 | COc1cc(/C=N/C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | /C=N/ |
|
<|startoftext|><L>COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br<mask_1:3>1OC<mask_1:3> | 2 | 46 | 3 | )c | 2 | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | )c |
<|startoftext|><L>COc1cc(C2C3=C(CCCC3=O)N<mask_1:4>2C(=O)CCC3)cc(Br)c1OC<mask_1:4> | 7 | 23 | 4 | (C)C3=C | 4 | COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Br)c1OC | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | C3=C |
<|startoftext|><L>COc1c<mask_1:7>=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC<mask_1:7> | 6 | 5 | 7 | c(C2C3 | 7 | COc1cc(C2C3C=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | c(C2C3C |
<|startoftext|><L>COc1cc(C2C3=C(CC<mask_1:5>(C)C3=C2C(=O)CCC3)cc(Br)c1OC<mask_1:5> | 7 | 16 | 5 | CC3=O)N | 5 | COc1cc(C2C3=C(CCCC3)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | CC3)N |
<|startoftext|><L>COc1cc(C2C3=C(CCCC3=O<mask_1:5>=C2C(=O)CCC3)cc(Br)c1OC<mask_1:5> | 7 | 21 | 5 | )N(C)C3 | 5 | COc1cc(C2C3=C(CCCC3=O)NC3N=C2C(=O)CCC3)cc(Br)c1OC | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | )NC3N |
<|startoftext|><L>COc1cc<mask_1:6>3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC<mask_1:6> | 4 | 6 | 6 | (C2C | 6 | COc1cc(C2=NC3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | (C2=NC |
<|startoftext|><L>COc1cc(C2C3<mask_1:6>CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC<mask_1:6> | 3 | 11 | 6 | =C( | 6 | COc1cc(C2C3=C(COCCCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | =C(COC |
<|startoftext|><L>COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2<mask_1:7>CCC3)cc(Br)c1OC<mask_1:7> | 5 | 31 | 7 | C(=O) | 7 | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCCCC3)cc(Br)c1OC | COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC | C(=O)CC |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)c<mask_1:8>c1<mask_1:8> | 4 | 55 | 8 | c2)c | 8 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)c(OC)c1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | c2)c(OC) |
<|startoftext|><L>COc1ccc(S(=O<mask_1:9>N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1<mask_1:9> | 5 | 12 | 9 | )(=O) | 9 | COc1ccc(S(=O)(=O)NCCCN(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | )(=O)NCCC |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H<mask_1:9>c2ccccc2)c2ccc(F)cc2)cc1<mask_1:9> | 6 | 31 | 9 | ](C)CC | 9 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(=O)c2ccccc2)c2ccc(F)cc2)cc1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | ](C)C(=O) |
<|startoftext|><L>CO<mask_1:7>=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1<mask_1:7> | 8 | 2 | 7 | c1ccc(S( | 8 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | c1ccc(S( |
<|startoftext|><L><mask_1:8>cc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1<mask_1:8> | 5 | 0 | 8 | COc1c | 8 | CC(C)c1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | CC(C)c1c |
<|startoftext|><L>COc1ccc<mask_1:9>(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1<mask_1:9> | 0 | 7 | 9 | 9 | COc1ccc(OC)c(OC)(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | (OC)c(OC) |
|
<|startoftext|><L>COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc<mask_1:9>1<mask_1:9> | 4 | 56 | 9 | 2)cc | 8 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)c(OC)c1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | 2)c(OC)c |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(<mask_1:9>cc1<mask_1:9> | 6 | 52 | 9 | F)cc2) | 9 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(Cl)cc2Cl)cc1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | Cl)cc2Cl) |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc<mask_1:7>c2ccc(F)cc2)cc1<mask_1:7> | 8 | 38 | 7 | 2ccccc2) | 7 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2cccs2)c2ccc(F)cc2)cc1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | 2cccs2) |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]<mask_1:3>Cc2ccccc2)c2ccc(F)cc2)cc1<mask_1:3> | 4 | 32 | 3 | (C)C | 3 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)Cc2ccccc2)c2ccc(F)cc2)cc1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 | (C) |