prompt
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
18
|
|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>C[C@@H]1CS(=O)(=O)<mask_1:10>c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O<mask_1:10> | 2 | 18 | 10 | N( | 10 | C[C@@H]1CS(=O)(=O)N(c2ccccc2c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | N(c2ccccc2 |
<|startoftext|><L>C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3c<mask_1:6>c(S(N)(=O)=O)cc3)cc2)C1=O<mask_1:6> | 1 | 41 | 6 | c | 6 | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3cc(C#N)c(S(N)(=O)=O)cc3)cc2)C1=O | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | c(C#N) |
<|startoftext|><L>C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S<mask_1:8>=O)cc3)cc2)C1=O<mask_1:8> | 7 | 45 | 8 | (N)(=O) | 8 | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)N=O)cc3)cc2)C1=O | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | (N)(=O)N |
<|startoftext|><L>C[C@@H]1CS(=O)(=O)N(c2ccc(<mask_1:7>(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O<mask_1:7> | 5 | 26 | 7 | S(=O) | 7 | C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | C(=O)NC |
<|startoftext|><L>C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O<mask_1:4>3ccc(S(N)(=O)=O)cc3)cc2)C1=O<mask_1:4> | 5 | 34 | 4 | )NCCc | 4 | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | )NCc |
<|startoftext|><L>C[C@@<mask_1:5>=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O<mask_1:5> | 10 | 5 | 5 | H]1CS(=O)( | 5 | C[C@@H]1C(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | H]1C( |
<|startoftext|><L>C[C@@H]1CS(=O)(=O)N(c2cc<mask_1:10>=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O<mask_1:10> | 8 | 24 | 10 | c(S(=O)( | 10 | C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | c(C(=O)CC( |
<|startoftext|><L>C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(<mask_1:5>3ccc(S(N)(=O)=O)cc3)cc2)C1=O<mask_1:5> | 7 | 32 | 5 | =O)NCCc | 5 | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | =O)Nc |
<|startoftext|><L>C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(<mask_1:8>N)(=O)=O)cc3)cc2)C1=O<mask_1:8> | 0 | 46 | 8 | 8 | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)S(N)(=O)=O)cc3)cc2)C1=O | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | N)(=O)S( |
|
<|startoftext|><L>C[C@@H]1CS(=O)<mask_1:4>cc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O<mask_1:4> | 9 | 14 | 4 | (=O)N(c2c | 4 | C[C@@H]1CS(=O)(=c2cc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)C1=O | (=c2 |
<|startoftext|><L>CC(C)(C)OC(=O)NC1CCN(<mask_1:4>CCN)CC1<mask_1:4> | 0 | 21 | 4 | 4 | CC(C)(C)OC(=O)NC1CCN(CCCCCCN)CC1 | CC(C)(C)OC(=O)NC1CCN(CCN)CC1 | CCCC |
|
<|startoftext|><L>CC(C)(<mask_1:4>OC(=O)NC1CCN(CCN)CC1<mask_1:4> | 2 | 6 | 4 | C) | 4 | CC(C)(C)CCOC(=O)NC1CCN(CCN)CC1 | CC(C)(C)OC(=O)NC1CCN(CCN)CC1 | C)CC |
<|startoftext|><L><mask_1:4>C(C)(C)OC(=O)NC1CCN(CCN)CC1<mask_1:4> | 1 | 0 | 4 | C | 4 | CCCCC(C)(C)OC(=O)NC1CCN(CCN)CC1 | CC(C)(C)OC(=O)NC1CCN(CCN)CC1 | CCCC |
<|startoftext|><L>CC(C)(C)OC(=O)NC1CCN<mask_1:3>)CC1<mask_1:3> | 4 | 20 | 3 | (CCN | 3 | CC(C)(C)OC(=O)NC1CCN(CN)CC1 | CC(C)(C)OC(=O)NC1CCN(CCN)CC1 | (CN |
<|startoftext|><L>CC(C)(C)OC(=O)NC1C<mask_1:2>CN)CC1<mask_1:2> | 4 | 18 | 2 | CN(C | 2 | CC(C)(C)OC(=O)NC1CC(CN)CC1 | CC(C)(C)OC(=O)NC1CCN(CCN)CC1 | C( |
<|startoftext|><L>CC(C)(C)OC(=O)N<mask_1:4>CN(CCN)CC1<mask_1:4> | 3 | 15 | 4 | C1C | 4 | CC(C)(C)OC(=O)NCCC1CN(CCN)CC1 | CC(C)(C)OC(=O)NC1CCN(CCN)CC1 | CCC1 |
<|startoftext|><L>CC(C)(C)OC(=O)NC1CCN(<mask_1:2>)CC1<mask_1:2> | 3 | 21 | 2 | CCN | 2 | CC(C)(C)OC(=O)NC1CCN(CO)CC1 | CC(C)(C)OC(=O)NC1CCN(CCN)CC1 | CO |
<|startoftext|><L>CC(C)(C)OC(=O)NC1CC<mask_1:2>N)CC1<mask_1:2> | 4 | 19 | 2 | N(CC | 2 | CC(C)(C)OC(=O)NC1CCC(N)CC1 | CC(C)(C)OC(=O)NC1CCN(CCN)CC1 | C( |
<|startoftext|><L><mask_1:4>C)(C)OC(=O)NC1CCN(CCN)CC1<mask_1:4> | 3 | 0 | 4 | CC( | 4 | COC(C)(C)OC(=O)NC1CCN(CCN)CC1 | CC(C)(C)OC(=O)NC1CCN(CCN)CC1 | COC( |
<|startoftext|><L>CC(C)(C)OC(=O)NC1CCN(CCN)<mask_1:2>C1<mask_1:2> | 1 | 25 | 2 | C | 2 | CC(C)(C)OC(=O)NC1CCN(CCN)CCC1 | CC(C)(C)OC(=O)NC1CCN(CCN)CC1 | CC |
<|startoftext|><L>O=C1NCCN(CCCc2ccc<mask_1:4>c2)[C@@H]1CC(=O)N1CCCC1<mask_1:4> | 1 | 17 | 4 | c | 4 | O=C1NCCN(CCCc2ccc(F)cc2)[C@@H]1CC(=O)N1CCCC1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | (F)c |
<|startoftext|><L>O=C1NCCN(CCCc2ccccc2)[C@@H]1CC<mask_1:2>=O)N1CCCC1<mask_1:2> | 1 | 30 | 2 | ( | 2 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CCC(=O)N1CCCC1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | C( |
<|startoftext|><L>O=C1NCCN(CCCc2ccccc2)[C@@<mask_1:4>CC(=O)N1CCCC1<mask_1:4> | 3 | 25 | 4 | H]1 | 4 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CCC(=O)N1CCCC1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | H]1C |
<|startoftext|><L>O=C1NCCN<mask_1:5>CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1<mask_1:5> | 1 | 8 | 5 | ( | 5 | O=C1NCCN(CCCOCCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | (CCCO |
<|startoftext|><L>O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CC<mask_1:1>1<mask_1:1> | 2 | 38 | 1 | CC | 1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCC1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | C |
<|startoftext|><L>O=C1NCCN(CCCc2ccccc2)<mask_1:6>@@H]1CC(=O)N1CCCC1<mask_1:6> | 2 | 21 | 6 | [C | 6 | O=C1NCCN(CCCc2ccccc2)CCCC[C@@H]1CC(=O)N1CCCC1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | CCCC[C |
<|startoftext|><L>O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=<mask_1:6>N1CCCC1<mask_1:6> | 2 | 32 | 6 | O) | 6 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)NCCCN1CCCC1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | O)NCCC |
<|startoftext|><L>O=C1N<mask_1:5>Cc2ccccc2)[C@@H]1CC(=O)N1CCCC1<mask_1:5> | 6 | 5 | 5 | CCN(CC | 5 | O=C1NCCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | CCCN( |
<|startoftext|><L>O=C1NCCN(CCCc2ccccc2)[C@@H]<mask_1:2>(=O)N1CCCC1<mask_1:2> | 3 | 27 | 2 | 1CC | 2 | O=C1NCCN(CCCc2ccccc2)[C@@H]1C(=O)N1CCCC1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | 1C |
<|startoftext|><L>O=C1NCCN(<mask_1:3>Cc2ccccc2)[C@@H]1CC(=O)N1CCCC1<mask_1:3> | 2 | 9 | 3 | CC | 3 | O=C1NCCN(CCCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCC1 | CCC |
<|startoftext|><L>Cc1ccc<mask_1:5>c(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1<mask_1:5> | 0 | 6 | 5 | 5 | Cc1ccc(C#N)c(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | (C#N) |
|
<|startoftext|><L>Cc1cccc(Oc2ccc(S(=O)(=O)N3<mask_1:5>CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1<mask_1:5> | 0 | 26 | 5 | 5 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCCCCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | CCCCC |
|
<|startoftext|><L>Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H<mask_1:7>]2C)c1<mask_1:7> | 8 | 46 | 7 | ]2C[C@@H | 7 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@H]2C)c1 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | ]2C[C@H |
<|startoftext|><L><mask_1:9>(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1<mask_1:9> | 7 | 0 | 9 | Cc1cccc | 9 | N#Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | N#Cc1cccc |
<|startoftext|><L>Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H<mask_1:5>2C[C@@H]2C)c1<mask_1:5> | 1 | 46 | 5 | ] | 5 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H](C)N2C[C@@H]2C)c1 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | ](C)N |
<|startoftext|><L>Cc1cccc(Oc2ccc(<mask_1:9>)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1<mask_1:9> | 4 | 15 | 9 | S(=O | 9 | Cc1cccc(Oc2ccc(/C=C/S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | /C=C/S(=O |
<|startoftext|><L>Cc1cccc(Oc2ccc(S(=O)(=O)N3CCC<mask_1:5>3)cc2NC(=O)[C@H]2C[C@@H]2C)c1<mask_1:5> | 2 | 29 | 5 | CC | 5 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | (C)CC |
<|startoftext|><L>Cc1cccc(Oc2ccc(S(=O)(=<mask_1:6>O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1<mask_1:6> | 0 | 22 | 6 | 6 | Cc1cccc(Oc2ccc(S(=O)(=O)NC(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | O)NC(= |
|
<|startoftext|><L>Cc1cccc(O<mask_1:8>c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1<mask_1:8> | 0 | 9 | 8 | 8 | Cc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | CCNC(=O) |
|
<|startoftext|><L>Cc1cccc(Oc2ccc(<mask_1:3>N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1<mask_1:3> | 9 | 15 | 3 | S(=O)(=O) | 3 | Cc1cccc(Oc2ccc(OCCN3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 | OCC |
<|startoftext|><L>Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]<mask_1:6>2)n1<mask_1:6> | 1 | 48 | 6 | 3 | 6 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H](F)C3O2)n1 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | (F)C3O |
<|startoftext|><L>Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H<mask_1:5>C@@H]32)n1<mask_1:5> | 6 | 37 | 5 | ]3CCC[ | 5 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CC[C@@H]32)n1 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | ]3CC[ |
<|startoftext|><L>Cc1cc(C)n(-c2ccccc2CNC(=O)<mask_1:4>[C@H]2[C@@H]3CCC[C@@H]32)n1<mask_1:4> | 0 | 26 | 4 | 4 | Cc1cc(C)n(-c2ccccc2CNC(=O)N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | N(C) |
|
<|startoftext|><L>C<mask_1:3>cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1<mask_1:3> | 2 | 1 | 3 | c1 | 3 | CCc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | Cc1 |
<|startoftext|><L>Cc1cc(C)n(-c2ccccc2CNC(<mask_1:4>[C@H]2[C@@H]3CCC[C@@H]32)n1<mask_1:4> | 3 | 23 | 4 | =O) | 4 | Cc1cc(C)n(-c2ccccc2CNC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)n1 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | =O)N |
<|startoftext|><L>Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C<mask_1:7>2)n1<mask_1:7> | 5 | 44 | 7 | @@H]3 | 7 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]3CO2)n1 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | @@H]3CO |
<|startoftext|><L>Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2<mask_1:7>]3CCC[C@@H]32)n1<mask_1:7> | 5 | 32 | 7 | [C@@H | 7 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2COC[C@H]3CCC[C@@H]32)n1 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | COC[C@H |
<|startoftext|><L>Cc1cc(C)n(-c2ccccc2CNC(=O)<mask_1:4>C@@H]3CCC[C@@H]32)n1<mask_1:4> | 7 | 26 | 4 | [C@H]2[ | 4 | Cc1cc(C)n(-c2ccccc2CNC(=O)N2C[C@@H]3CCC[C@@H]32)n1 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | N2C[ |
<|startoftext|><L>Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C<mask_1:4>CC[C@@H]32)n1<mask_1:4> | 6 | 34 | 4 | @@H]3C | 4 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@H]3CC[C@@H]32)n1 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | @H]3 |
<|startoftext|><L>Cc1cc(C)n(-c2ccccc<mask_1:7>=O)[C@H]2[C@@H]3CCC[C@@H]32)n1<mask_1:7> | 5 | 18 | 7 | 2CNC( | 7 | Cc1cc(C)n(-c2ccccc2N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 | 2N(C)C( |
<|startoftext|><L>O=C(Nc1ccccc1/C=C/c1ccc2<mask_1:2>c2n1)[C@H]1CCCO1<mask_1:2> | 7 | 24 | 2 | cccc(O) | 3 | O=C(Nc1ccccc1/C=C/c1ccc2nonc2n1)[C@H]1CCCO1 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | non |
<|startoftext|><L>O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)<mask_1:6>C@H]1CCCO1<mask_1:6> | 1 | 36 | 6 | [ | 6 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)N(C)C[C@H]1CCCO1 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | N(C)C[ |
<|startoftext|><L>O=C(Nc1cc<mask_1:7>cc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1<mask_1:7> | 1 | 9 | 7 | c | 8 | O=C(Nc1ccc(C2CC2)cc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | c(C2CC2) |
<|startoftext|><L>O=C<mask_1:6>Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1<mask_1:6> | 1 | 3 | 6 | ( | 6 | O=C(C(=O)Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | (C(=O) |
<|startoftext|><L>O=C(Nc1cc<mask_1:4>C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1<mask_1:4> | 7 | 9 | 4 | ccc1/C= | 4 | O=C(Nc1ccccc1C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | ccc1 |
<|startoftext|><L>O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n<mask_1:6>H]1CCCO1<mask_1:6> | 5 | 34 | 6 | 1)[C@ | 6 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@@H]1CCCO1 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | 1)[C@@ |
<|startoftext|><L>O=C(Nc1ccccc1/C=C/<mask_1:3>c1ccc2cccc(O)c2n1)[C@H]1CCCO1<mask_1:3> | 0 | 18 | 3 | 3 | O=C(Nc1ccccc1/C=C/C=Cc1ccc2cccc(O)c2n1)[C@H]1CCCO1 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | C=C |
|
<|startoftext|><L><mask_1:6>(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1<mask_1:6> | 3 | 0 | 6 | O=C | 7 | O=S(=O)(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | O=S(=O) |
<|startoftext|><L>O=C(Nc1ccccc1/C=C/c1ccc2cccc(O<mask_1:5>)c2n1)[C@H]1CCCO1<mask_1:5> | 0 | 30 | 5 | 5 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(OC(F)F)c2n1)[C@H]1CCCO1 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | C(F)F |
|
<|startoftext|><L>O=C(Nc1<mask_1:5>cc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1<mask_1:5> | 3 | 7 | 5 | ccc | 5 | O=C(Nc1nn(F)cc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CCCO1 | nn(F) |
<|startoftext|><L>Cc1cc(N2CC<mask_1:2>(C(=O)Cn3cnnn3)CC2)nc(C)n1<mask_1:2> | 1 | 10 | 2 | N | 2 | Cc1cc(N2CCCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | CN |
<|startoftext|><L>Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC<mask_1:2>)nc(C)n1<mask_1:2> | 1 | 28 | 2 | 2 | 2 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CCC2)nc(C)n1 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | C2 |
<|startoftext|><L>Cc1cc(N2CCN<mask_1:4>(C(=O)Cn3cnnn3)CC2)nc(C)n1<mask_1:4> | 0 | 11 | 4 | 4 | Cc1cc(N2CCN(C)C(C(=O)Cn3cnnn3)CC2)nc(C)n1 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | (C)C |
|
<|startoftext|><L>Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C<mask_1:5>n1<mask_1:5> | 1 | 34 | 5 | ) | 5 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C(C)C)n1 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | (C)C) |
<|startoftext|><L>Cc1cc(N2CCN(C(=O)C<mask_1:1>nn3)CC2)nc(C)n1<mask_1:1> | 4 | 18 | 1 | n3cn | 1 | Cc1cc(N2CCN(C(=O)C3nn3)CC2)nc(C)n1 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | 3 |
<|startoftext|><L><mask_1:5>cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1<mask_1:5> | 3 | 0 | 5 | Cc1 | 5 | CCCc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | CCCc1 |
<|startoftext|><L>Cc<mask_1:5>N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1<mask_1:5> | 4 | 2 | 5 | 1cc( | 5 | Cc1cc(CN2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | 1cc(C |
<|startoftext|><L>Cc1cc(N2CCN(C(=O)Cn3cnnn3<mask_1:3>C2)nc(C)n1<mask_1:3> | 2 | 25 | 3 | )C | 3 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CCC2)nc(C)n1 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | )CC |
<|startoftext|><L>Cc1cc<mask_1:3>2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1<mask_1:3> | 2 | 5 | 3 | (N | 3 | Cc1cc(OC2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | (OC |
<|startoftext|><L>Cc1cc(N2CCN(C(=<mask_1:4>Cn3cnnn3)CC2)nc(C)n1<mask_1:4> | 2 | 15 | 4 | O) | 4 | Cc1cc(N2CCN(C(=O)CCCn3cnnn3)CC2)nc(C)n1 | Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(C)n1 | O)CC |
<|startoftext|><L>CC(<mask_1:6>)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1<mask_1:6> | 2 | 3 | 6 | =O | 6 | CC(C)C(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | C)C(=O |
<|startoftext|><L>CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(<mask_1:5>3c2=O)CC1<mask_1:5> | 4 | 29 | 5 | F)cc | 5 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | Br)cc |
<|startoftext|><L>CC(=O)N1CCC(NC(=O)Cn2cnc3c<mask_1:2>)cc3c2=O)CC1<mask_1:2> | 4 | 26 | 2 | cc(F | 2 | CC(=O)N1CCC(NC(=O)Cn2cnc3c(C)cc3c2=O)CC1 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | (C |
<|startoftext|><L>CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)<mask_1:4>c3c2=O)CC1<mask_1:4> | 1 | 31 | 4 | c | 4 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)c(F)c3c2=O)CC1 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | c(F) |
<|startoftext|><L>CC(=O)N1CCC(N<mask_1:2>C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1<mask_1:2> | 0 | 13 | 2 | 2 | CC(=O)N1CCC(NCCC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | CC |
|
<|startoftext|><L>CC(=O<mask_1:3>(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1<mask_1:3> | 6 | 5 | 3 | )N1CCC | 3 | CC(=O)C1(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | )C1 |
<|startoftext|><L>CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O<mask_1:3>C1<mask_1:3> | 2 | 38 | 3 | )C | 3 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CCC1 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | )CC |
<|startoftext|><L>CC(=O)<mask_1:5>1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1<mask_1:5> | 1 | 6 | 5 | N | 5 | CC(=O)N(C)C1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | N(C)C |
<|startoftext|><L>CC(=<mask_1:5>1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1<mask_1:5> | 3 | 4 | 5 | O)N | 5 | CC(=O)NCC1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | O)NCC |
<|startoftext|><L>CC(=O)N1CCC<mask_1:2>NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1<mask_1:2> | 1 | 11 | 2 | ( | 2 | CC(=O)N1CCC(CNC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | CC(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 | (C |
<|startoftext|><L><mask_1:1>1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1<mask_1:1> | 2 | 0 | 1 | Cc | 1 | c1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | c |
<|startoftext|><L>Cc1ccc(N<mask_1:6>O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1<mask_1:6> | 3 | 8 | 6 | C(= | 6 | Cc1ccc(N(C)C(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | (C)C(= |
<|startoftext|><L>Cc1ccc(NC(=O)<mask_1:1>(C)C)cc1B1OC(C)(C)C(C)(C)O1<mask_1:1> | 4 | 13 | 1 | C(C) | 1 | Cc1ccc(NC(=O)N(C)C)cc1B1OC(C)(C)C(C)(C)O1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | N |
<|startoftext|><L>C<mask_1:2>1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1<mask_1:2> | 1 | 1 | 2 | c | 2 | COc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | Oc |
<|startoftext|><L>Cc1ccc<mask_1:5>C(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1<mask_1:5> | 2 | 6 | 5 | (N | 5 | Cc1ccc(OCCNC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | (OCCN |
<|startoftext|><L>Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC<mask_1:1>(C)C(C)(C)O1<mask_1:1> | 3 | 29 | 1 | (C) | 1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OCC(C)C(C)(C)O1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | C |
<|startoftext|><L>Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)<mask_1:5>(C)C(C)(C)O1<mask_1:5> | 0 | 32 | 5 | 5 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)CN(C)C(C)(C)O1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | (C)CN |
|
<|startoftext|><L>Cc1cc<mask_1:5>(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1<mask_1:5> | 4 | 5 | 5 | c(NC | 5 | Cc1ccc(CNC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | c(CNC |
<|startoftext|><L>Cc1ccc(NC(=O)C(C)(C)C<mask_1:1>OC(C)(C)C(C)(C)O1<mask_1:1> | 6 | 21 | 1 | )cc1B1 | 1 | Cc1ccc(NC(=O)C(C)(C)C)OC(C)(C)C(C)(C)O1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | ) |
<|startoftext|><L>Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C<mask_1:6>)(C)C(C)(C)O1<mask_1:6> | 0 | 31 | 6 | 7 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)C(C)(C)O1 | Cc1ccc(NC(=O)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 | )(C)C(C |
|
<|startoftext|><L>COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(<mask_1:2>)O1<mask_1:2> | 4 | 40 | 2 | C)(C | 2 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(=O)O1 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | =O |
<|startoftext|><L>COC[C@@H]1CN(C(=O)c2cn(<mask_1:2>C)nc2C(C)(C)C)CC(C)(C)O1<mask_1:2> | 0 | 23 | 2 | 2 | COC[C@@H]1CN(C(=O)c2cn(CCC)nc2C(C)(C)C)CC(C)(C)O1 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | CC |
|
<|startoftext|><L>COC[C@@H]1CN(C(=O)c2cn(C)<mask_1:7>2C(C)(C)C)CC(C)(C)O1<mask_1:7> | 2 | 25 | 7 | nc | 7 | COC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2C(C)(C)C)CC(C)(C)O1 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | c(=O)nc |
<|startoftext|><L>COC[C@@H]1CN(C(=O)c2c<mask_1:1>C)nc2C(C)(C)C)CC(C)(C)O1<mask_1:1> | 2 | 21 | 1 | n( | 1 | COC[C@@H]1CN(C(=O)c2c(C)nc2C(C)(C)C)CC(C)(C)O1 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | ( |
<|startoftext|><L>COC[C@@H]1CN(C(=O)c2cn(C)nc2C(<mask_1:5>C)C)CC(C)(C)O1<mask_1:5> | 3 | 30 | 5 | C)( | 5 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(=O)N(C)C)CC(C)(C)O1 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | =O)N( |
<|startoftext|><L>COC[C@@H]1CN(C(=<mask_1:4>c2cn(C)nc2C(C)(C)C)CC(C)(C)O1<mask_1:4> | 2 | 16 | 4 | O) | 4 | COC[C@@H]1CN(C(=O)NCc2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | O)NC |
<|startoftext|><L>COC[C@@H]1CN(C(=O)c2c<mask_1:5>(C)nc2C(C)(C)C)CC(C)(C)O1<mask_1:5> | 1 | 21 | 5 | n | 5 | COC[C@@H]1CN(C(=O)c2c(C)nc(C)nc2C(C)(C)C)CC(C)(C)O1 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | (C)nc |
<|startoftext|><L>COC[C@@H]1<mask_1:2>N(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1<mask_1:2> | 1 | 10 | 2 | C | 2 | COC[C@@H]1CCN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | CC |
<|startoftext|><L>COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C<mask_1:2>1<mask_1:2> | 5 | 41 | 2 | )(C)O | 2 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)O1 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | )O |
<|startoftext|><L>COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)<mask_1:5>C)(C)O1<mask_1:5> | 3 | 37 | 5 | CC( | 5 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C(CC#C)(C)O1 | COC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CC(C)(C)O1 | C(CC# |