prompt
stringlengths 47
229
| first_mask_count
int64 0
16
| first_start_index
int64 0
176
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
19
| generated_smiles
stringlengths 10
199
| original_smiles
stringlengths 10
192
| generated_tokens
stringlengths 0
19
|
---|---|---|---|---|---|---|---|---|
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)N2CCN(<mask_1:6>cc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:6> | 3 | 29 | 6 | c3c | 6 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(CCOc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | CCOc3c |
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)N2CC<mask_1:6>(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:6> | 1 | 27 | 6 | N | 6 | NC(=O)N1CCC[C@@H](C(=O)N2CCC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | C(=O)N |
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(<mask_1:6>CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:6> | 5 | 20 | 6 | =O)N2 | 6 | NC(=O)N1CCC[C@@H](C(=O)N2CCCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | =O)N2C |
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)<mask_1:5>CN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:5> | 3 | 23 | 5 | N2C | 5 | NC(=O)N1CCC[C@@H](C(=O)NCC2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | NCC2C |
<|startoftext|><L>NC(=O)N1CC<mask_1:8>](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:8> | 6 | 10 | 8 | C[C@@H | 8 | NC(=O)N1CCN(C)[C@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | N(C)[C@H |
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F<mask_1:8>)CC2)C1<mask_1:8> | 3 | 48 | 8 | )c3 | 8 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)CC2)C1 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | )c3)C(=O |
<|startoftext|><L>NC(=<mask_1:6>)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:6> | 1 | 4 | 6 | O | 6 | NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | O)C(=O |
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C<mask_1:6>(F)(F)F)c3)CC2)C1<mask_1:6> | 0 | 41 | 6 | 6 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(=O)NC(F)(F)F)c3)CC2)C1 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | (=O)NC |
|
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=<mask_1:5>)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:5> | 1 | 21 | 5 | O | 5 | NC(=O)N1CCC[C@@H](C(=O)N(C)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | O)N(C |
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c<mask_1:5>F)F)c3)CC2)C1<mask_1:5> | 6 | 39 | 5 | (C(F)( | 5 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(OCC(F)F)c3)CC2)C1 | NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 | (OCC( |
<|startoftext|><L>Cn1c<mask_1:3>c(-c2cncc(CC3CCNCC3)n2)cn1<mask_1:3> | 0 | 4 | 3 | 3 | Cn1c(F)c(-c2cncc(CC3CCNCC3)n2)cn1 | Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | (F) |
|
<|startoftext|><L>Cn1cc(-c2cncc(CC3CCN<mask_1:3>n2)cn1<mask_1:3> | 4 | 20 | 3 | CC3) | 3 | Cn1cc(-c2cncc(CC3CCNC3)n2)cn1 | Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | C3) |
<|startoftext|><L>Cn1cc(-c2cncc(CC3CCN<mask_1:2>CC3)n2)cn1<mask_1:2> | 0 | 20 | 2 | 2 | Cn1cc(-c2cncc(CC3CCNCCCC3)n2)cn1 | Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | CC |
|
<|startoftext|><L><mask_1:4>n1cc(-c2cncc(CC3CCNCC3)n2)cn1<mask_1:4> | 1 | 0 | 4 | C | 4 | C=CCn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | C=CC |
<|startoftext|><L>Cn1cc(-c2cncc(C<mask_1:2>CNCC3)n2)cn1<mask_1:2> | 3 | 15 | 2 | C3C | 2 | Cn1cc(-c2cncc(C3CCNCC3)n2)cn1 | Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | 3C |
<|startoftext|><L>Cn1cc(-c2cncc(<mask_1:2>C3CCNCC3)n2)cn1<mask_1:2> | 1 | 14 | 2 | C | 2 | Cn1cc(-c2cncc(NCC3CCNCC3)n2)cn1 | Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | NC |
<|startoftext|><L>Cn1cc(-c2cncc(CC3CC<mask_1:2>CC3)n2)cn1<mask_1:2> | 1 | 19 | 2 | N | 2 | Cn1cc(-c2cncc(CC3CCCNCC3)n2)cn1 | Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | CN |
<|startoftext|><L>Cn1cc(-c2cncc(CC3CCNCC<mask_1:2>3)n2)cn1<mask_1:2> | 0 | 22 | 2 | 2 | Cn1cc(-c2cncc(CC3CCNCCCC3)n2)cn1 | Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | CC |
|
<|startoftext|><L>Cn1cc(-<mask_1:3>2cncc(CC3CCNCC3)n2)cn1<mask_1:3> | 1 | 7 | 3 | c | 3 | Cn1cc(-CNc2cncc(CC3CCNCC3)n2)cn1 | Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | CNc |
<|startoftext|><L>Cn1cc(-c2cncc(CC3<mask_1:2>C3)n2)cn1<mask_1:2> | 4 | 17 | 2 | CCNC | 2 | Cn1cc(-c2cncc(CC3CNC3)n2)cn1 | Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1 | CN |
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=O<mask_1:4>cnc4ccccn34)CC2)n1C<mask_1:4> | 3 | 22 | 4 | )c3 | 4 | CN(C)Cc1nnc(C2CCN(C(=O)Cc3cnc4ccccn34)CC2)n1C | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C | )Cc3 |
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(<mask_1:2>3cnc4ccccn34)CC2)n1C<mask_1:2> | 6 | 18 | 2 | C(=O)c | 2 | CN(C)Cc1nnc(C2CCN(Cc3cnc4ccccn34)CC2)n1C | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C | Cc |
<|startoftext|><L>CN(C)Cc1nnc(C<mask_1:3>(=O)c3cnc4ccccn34)CC2)n1C<mask_1:3> | 6 | 13 | 3 | 2CCN(C | 3 | CN(C)Cc1nnc(C2(C(=O)c3cnc4ccccn34)CC2)n1C | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C | 2(C |
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=<mask_1:5>3cnc4ccccn34)CC2)n1C<mask_1:5> | 3 | 21 | 5 | O)c | 5 | CN(C)Cc1nnc(C2CCN(C(=O)CCc3cnc4ccccn34)CC2)n1C | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C | O)CCc |
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34<mask_1:2>2)n1C<mask_1:2> | 3 | 36 | 2 | )CC | 2 | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)C2)n1C | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C | )C |
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=O)c3cnc<mask_1:6>cccn34)CC2)n1C<mask_1:6> | 2 | 28 | 6 | 4c | 6 | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4c(Cl)cccn34)CC2)n1C | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C | 4c(Cl) |
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=<mask_1:6>cnc4ccccn34)CC2)n1C<mask_1:6> | 4 | 21 | 6 | O)c3 | 6 | CN(C)Cc1nnc(C2CCN(C(=O)CCc3cnc4ccccn34)CC2)n1C | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C | O)CCc3 |
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC<mask_1:5>C<mask_1:5> | 4 | 39 | 5 | 2)n1 | 5 | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1CC | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C | 2)n1C |
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C<mask_1:1>O)c3cnc4ccccn34)CC2)n1C<mask_1:1> | 2 | 19 | 1 | (= | 1 | CN(C)Cc1nnc(C2CCN(C(O)c3cnc4ccccn34)CC2)n1C | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C | ( |
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(<mask_1:2>O)c3cnc4ccccn34)CC2)n1C<mask_1:2> | 1 | 20 | 2 | = | 2 | CN(C)Cc1nnc(C2CCN(C(=NO)c3cnc4ccccn34)CC2)n1C | CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C | =N |
<|startoftext|><L>Cc1cccc(N/C=C2/CCC<mask_1:2>C2=O)c1Cl<mask_1:2> | 1 | 18 | 2 | C | 2 | Cc1cccc(N/C=C2/CCCCCC2=O)c1Cl | Cc1cccc(N/C=C2/CCCCC2=O)c1Cl | CC |
<|startoftext|><L>Cc1cccc(N/C=C2/CCCC<mask_1:1>)c1Cl<mask_1:1> | 4 | 19 | 1 | C2=O | 1 | Cc1cccc(N/C=C2/CCCC2)c1Cl | Cc1cccc(N/C=C2/CCCCC2=O)c1Cl | 2 |
<|startoftext|><L>Cc1cccc(N/C=C2/<mask_1:3>CCCC2=O)c1Cl<mask_1:3> | 1 | 15 | 3 | C | 3 | Cc1cccc(N/C=C2/C=CCCCC2=O)c1Cl | Cc1cccc(N/C=C2/CCCCC2=O)c1Cl | C=C |
<|startoftext|><L>Cc1cccc(N/C=C2/CC<mask_1:4>C2=O)c1Cl<mask_1:4> | 2 | 17 | 4 | CC | 4 | Cc1cccc(N/C=C2/CCCCCCC2=O)c1Cl | Cc1cccc(N/C=C2/CCCCC2=O)c1Cl | CCCC |
<|startoftext|><L>Cc1cccc(N/C=C2/CCC<mask_1:4>=O)c1Cl<mask_1:4> | 3 | 18 | 4 | CC2 | 4 | Cc1cccc(N/C=C2/CCCCCC2=O)c1Cl | Cc1cccc(N/C=C2/CCCCC2=O)c1Cl | CCC2 |
<|startoftext|><L>Cc1cccc(N/C=C2/CC<mask_1:2>=O)c1Cl<mask_1:2> | 4 | 17 | 2 | CCC2 | 2 | Cc1cccc(N/C=C2/CCC2=O)c1Cl | Cc1cccc(N/C=C2/CCCCC2=O)c1Cl | C2 |
<|startoftext|><L>Cc1cccc(N/C=C2/CCCC<mask_1:2>C2=O)c1Cl<mask_1:2> | 0 | 19 | 2 | 2 | Cc1cccc(N/C=C2/CCCCCCC2=O)c1Cl | Cc1cccc(N/C=C2/CCCCC2=O)c1Cl | CC |
|
<|startoftext|><L>Cc1cccc(N/C<mask_1:4>2/CCCCC2=O)c1Cl<mask_1:4> | 2 | 11 | 4 | =C | 4 | Cc1cccc(N/C=C\C2/CCCCC2=O)c1Cl | Cc1cccc(N/C=C2/CCCCC2=O)c1Cl | =C\C |
<|startoftext|><L>Cc1cccc(N/C=C2<mask_1:1>CC2=O)c1Cl<mask_1:1> | 4 | 14 | 1 | /CCC | 1 | Cc1cccc(N/C=C2/CC2=O)c1Cl | Cc1cccc(N/C=C2/CCCCC2=O)c1Cl | / |
<|startoftext|><L>Cc1cccc(<mask_1:1>C2/CCCCC2=O)c1Cl<mask_1:1> | 4 | 8 | 1 | N/C= | 1 | Cc1cccc(OC2/CCCCC2=O)c1Cl | Cc1cccc(N/C=C2/CCCCC2=O)c1Cl | O |
<|startoftext|><L>Cn1c(=O)sc2cc(<mask_1:5>=O)c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:5> | 3 | 14 | 5 | NC( | 5 | Cn1c(=O)sc2cc(CCNC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | CCNC( |
<|startoftext|><L>Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5c<mask_1:3>54)o3)ccc21<mask_1:3> | 4 | 32 | 3 | cccc | 4 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | cccc |
<|startoftext|><L>Cn1<mask_1:2>c2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:2> | 6 | 3 | 2 | c(=O)s | 2 | Cn1nnc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | nn |
<|startoftext|><L>Cn1c(=O)sc2cc(N<mask_1:4>cc4c(ccc5ccccc54)o3)ccc21<mask_1:4> | 7 | 15 | 4 | C(=O)c3 | 4 | Cn1c(=O)sc2cc(N=c3ncc4c(ccc5ccccc54)o3)ccc21 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | =c3n |
<|startoftext|><L>Cn1c(=O)sc2cc(NC<mask_1:4>)c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:4> | 3 | 16 | 4 | (=O | 4 | Cn1c(=O)sc2cc(NCC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | C(=O |
<|startoftext|><L>Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5cc<mask_1:7>ccc54)o3)ccc21<mask_1:7> | 0 | 33 | 7 | 7 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccc(C#N)cccc54)o3)ccc21 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | c(C#N)c |
|
<|startoftext|><L>Cn1c(=O)sc2cc<mask_1:5>)c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:5> | 6 | 13 | 5 | (NC(=O | 5 | Cn1c(=O)sc2cc(C(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | (C(=O |
<|startoftext|><L>Cn1c(=O)sc2cc(N<mask_1:2>c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:2> | 5 | 15 | 2 | C(=O) | 2 | Cn1c(=O)sc2cc(N=Cc3cc4c(ccc5ccccc54)o3)ccc21 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | =C |
<|startoftext|><L>Cn1c(=O)sc2cc(NC<mask_1:2>cc4c(ccc5ccccc54)o3)ccc21<mask_1:2> | 6 | 16 | 2 | (=O)c3 | 2 | Cn1c(=O)sc2cc(NCc3cc4c(ccc5ccccc54)o3)ccc21 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | c3 |
<|startoftext|><L>Cn1c(=O)sc<mask_1:5>2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:5> | 0 | 10 | 5 | 5 | Cn1c(=O)sc(=O)c2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 | (=O)c |
|
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3ccc(F)cc<mask_1:7>n3nnnc3N2)c(OC)c1<mask_1:7> | 2 | 29 | 7 | 3) | 7 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)N(C)Cn3nnnc3N2)c(OC)c1 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | 3)N(C)C |
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3ccc(F)<mask_1:4>)n3nnnc3N2)c(OC)c1<mask_1:4> | 3 | 27 | 4 | cc3 | 4 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3F)n3nnnc3N2)c(OC)c1 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | cc3F |
<|startoftext|><L>COc1ccc(C2=C[<mask_1:2>H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1<mask_1:2> | 3 | 13 | 2 | C@@ | 2 | COc1ccc(C2=C[C@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | C@ |
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3c<mask_1:7>cc3)n3nnnc3N2)c(OC)c1<mask_1:7> | 5 | 22 | 7 | cc(F) | 7 | COc1ccc(C2=C[C@@H](c3ccc(C#N)cc3)n3nnnc3N2)c(OC)c1 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | cc(C#N) |
<|startoftext|><L>COc1ccc(C2=C[C@@H]<mask_1:2>c3ccc(F)cc3)n3nnnc3N2)c(OC)c1<mask_1:2> | 1 | 18 | 2 | ( | 2 | COc1ccc(C2=C[C@@H](Sc3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | (S |
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3<mask_1:5>F)cc3)n3nnnc3N2)c(OC)c1<mask_1:5> | 4 | 21 | 5 | ccc( | 5 | COc1ccc(C2=C[C@@H](c3ccc(CF)cc3)n3nnnc3N2)c(OC)c1 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | ccc(C |
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3ccc(F)cc<mask_1:4>3nnnc3N2)c(OC)c1<mask_1:4> | 3 | 29 | 4 | 3)n | 4 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3F)n3nnnc3N2)c(OC)c1 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | 3F)n |
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3ccc(F)<mask_1:7>)n3nnnc3N2)c(OC)c1<mask_1:7> | 3 | 27 | 7 | cc3 | 7 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)N(C)n3nnnc3N2)c(OC)c1 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | cc3)N(C |
<|startoftext|><L>COc1ccc<mask_1:6>@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1<mask_1:6> | 7 | 7 | 6 | (C2=C[C | 6 | COc1ccc(C2C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | (C2C[C |
<|startoftext|><L>COc1ccc(C2=C[C<mask_1:5>H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1<mask_1:5> | 2 | 14 | 5 | @@ | 5 | COc1ccc(C2=C[C@H][CH](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 | @H][C |
<|startoftext|><L>CC(=O)c1cccc(Nc2nnc(S<mask_1:5>ccc(Cl)cc3)n(N)c2=O)c1<mask_1:5> | 3 | 21 | 5 | Cc3 | 5 | CC(=O)c1cccc(Nc2nnc(SCCOc3ccc(Cl)cc3)n(N)c2=O)c1 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | CCOc3 |
<|startoftext|><L>CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)<mask_1:3>n(N)c2=O)c1<mask_1:3> | 4 | 31 | 3 | cc3) | 3 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)s3)n(N)c2=O)c1 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | s3) |
<|startoftext|><L><mask_1:4>c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1<mask_1:4> | 6 | 0 | 4 | CC(=O) | 4 | CCCOc1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | CCCO |
<|startoftext|><L>CC(=O)c1cccc(N<mask_1:4>2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1<mask_1:4> | 1 | 14 | 4 | c | 4 | CC(=O)c1cccc(N(C)c2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | (C)c |
<|startoftext|><L>CC(<mask_1:4>ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1<mask_1:4> | 6 | 3 | 4 | =O)c1c | 4 | CC(C)n1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | C)n1 |
<|startoftext|><L>CC(=O)c1cccc(Nc2nn<mask_1:5>ccc(Cl)cc3)n(N)c2=O)c1<mask_1:5> | 6 | 18 | 5 | c(SCc3 | 5 | CC(=O)c1cccc(Nc2nnc(-c3ccc(Cl)cc3)n(N)c2=O)c1 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | c(-c3 |
<|startoftext|><L>CC<mask_1:2>(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1<mask_1:2> | 0 | 2 | 2 | 2 | CCOC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | OC |
|
<|startoftext|><L>CC(=O)c1cccc(Nc2nnc(SCc3ccc(<mask_1:2>3)n(N)c2=O)c1<mask_1:2> | 5 | 28 | 2 | Cl)cc | 2 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(C)3)n(N)c2=O)c1 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | C) |
<|startoftext|><L>CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3<mask_1:6>n(N)c2=O)c1<mask_1:6> | 1 | 34 | 6 | ) | 6 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)c(=O)n(N)c2=O)c1 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | )c(=O) |
<|startoftext|><L>CC(=O)c1c<mask_1:4>c2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1<mask_1:4> | 5 | 9 | 4 | ccc(N | 4 | CC(=O)c1cccc(c2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 | ccc( |
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](<mask_1:2>O)N3CCC(F)(F)CC3)C2)cc1<mask_1:2> | 3 | 20 | 2 | C(= | 2 | Cc1ccc(CN2CCO[C@@H](C(O)N3CCC(F)(F)CC3)C2)cc1 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | C( |
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F<mask_1:4>2)cc1<mask_1:4> | 6 | 35 | 4 | )CC3)C | 4 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)C3)2)cc1 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | )C3) |
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3<mask_1:6>C2)cc1<mask_1:6> | 1 | 39 | 6 | ) | 6 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C(=O)C2)cc1 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | )C(=O) |
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O<mask_1:4>C(F)(F)CC3)C2)cc1<mask_1:4> | 5 | 24 | 4 | )N3CC | 4 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CC(F)(F)CC3)C2)cc1 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | )N3C |
<|startoftext|><L>Cc1ccc(CN2CCO[C@@<mask_1:5>O)N3CCC(F)(F)CC3)C2)cc1<mask_1:5> | 6 | 17 | 5 | H](C(= | 5 | Cc1ccc(CN2CCO[C@@H](C(O)N3CCC(F)(F)CC3)C2)cc1 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | H](C( |
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)<mask_1:2>3)C2)cc1<mask_1:2> | 5 | 33 | 2 | (F)CC | 2 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)CC3)C2)cc1 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | CC |
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CC<mask_1:6>F)(F)CC3)C2)cc1<mask_1:6> | 2 | 29 | 6 | C( | 6 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCN(C)C(F)(F)CC3)C2)cc1 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | N(C)C( |
<|startoftext|><L>Cc1ccc(CN2CCO<mask_1:6>](C(=O)N3CCC(F)(F)CC3)C2)cc1<mask_1:6> | 5 | 13 | 6 | [C@@H | 6 | Cc1ccc(CN2CCOC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | C[C@@H |
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)C<mask_1:2>C2)cc1<mask_1:2> | 3 | 37 | 2 | C3) | 2 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)C3)C2)cc1 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | 3) |
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(<mask_1:5>C2)cc1<mask_1:5> | 6 | 34 | 5 | F)CC3) | 5 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)C3)C2)cc1 | Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 | F)C3) |
<|startoftext|><L>C[C@@H](CC(C)(C)c1ccccc1)NC(<mask_1:1>=O)CC1CCN(C)CC1<mask_1:1> | 0 | 28 | 1 | 1 | C[C@@H](CC(C)(C)c1ccccc1)NC(N=O)CC1CCN(C)CC1 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | N |
|
<|startoftext|><L>C[C@@H](CC(C)(C)c1c<mask_1:5>ccc1)NC(=O)CC1CCN(C)CC1<mask_1:5> | 1 | 19 | 5 | c | 5 | C[C@@H](CC(C)(C)c1cc(Cl)ccc1)NC(=O)CC1CCN(C)CC1 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | c(Cl) |
<|startoftext|><L>C[C@@H](CC(C<mask_1:5>c1ccccc1)NC(=O)CC1CCN(C)CC1<mask_1:5> | 4 | 12 | 5 | )(C) | 5 | C[C@@H](CC(C)(C)Cc1ccccc1)NC(=O)CC1CCN(C)CC1 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | )(C)C |
<|startoftext|><L>C[C@@H](CC(C)(C<mask_1:5>cc1)NC(=O)CC1CCN(C)CC1<mask_1:5> | 6 | 15 | 5 | )c1ccc | 5 | C[C@@H](CC(C)(C)n1cccc1)NC(=O)CC1CCN(C)CC1 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | )n1cc |
<|startoftext|><L>C[C@@H](CC(C)(C)c1ccccc1)NC(<mask_1:6>=O)CC1CCN(C)CC1<mask_1:6> | 0 | 28 | 6 | 6 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NC(=O)CC1CCN(C)CC1 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | =O)NC( |
|
<|startoftext|><L>C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN<mask_1:6>C1<mask_1:6> | 4 | 37 | 6 | (C)C | 6 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(CCO)CC1 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | (CCO)C |
<|startoftext|><L>C[C@@H](CC(C<mask_1:4>ccccc1)NC(=O)CC1CCN(C)CC1<mask_1:4> | 6 | 12 | 4 | )(C)c1 | 4 | C[C@@H](CC(CO)c1ccccc1)NC(=O)CC1CCN(C)CC1 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | O)c1 |
<|startoftext|><L>C[C@@H](CC(C)(C)c1ccccc<mask_1:3>)NC(=O)CC1CCN(C)CC1<mask_1:3> | 1 | 23 | 3 | 1 | 3 | C[C@@H](CC(C)(C)c1ccccc1Cl)NC(=O)CC1CCN(C)CC1 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | 1Cl |
<|startoftext|><L>C[C@@H](CC(C)(C)c1ccc<mask_1:5>cc1)NC(=O)CC1CCN(C)CC1<mask_1:5> | 0 | 21 | 5 | 5 | C[C@@H](CC(C)(C)c1ccc(C#N)cc1)NC(=O)CC1CCN(C)CC1 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | (C#N) |
|
<|startoftext|><L>C<mask_1:5>@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1<mask_1:5> | 2 | 1 | 5 | [C | 5 | CCCC[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 | CCC[C |
<|startoftext|><L>CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1<mask_1:6>cc1<mask_1:6> | 3 | 43 | 6 | ccc | 6 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccc(F)cc1 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | ccc(F) |
<|startoftext|><L>CN<mask_1:5>(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:5> | 3 | 2 | 5 | (CC | 5 | CN(CCCC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | (CCCC |
<|startoftext|><L>CN(CC(=O)N1CC<mask_1:5>@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:5> | 3 | 13 | 5 | C[C | 5 | CN(CC(=O)N1CCCCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | CCC[C |
<|startoftext|><L>CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2cc<mask_1:4>1)c1ccccc1<mask_1:4> | 6 | 33 | 4 | ccn2)C | 4 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccsc2)1)c1ccccc1 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | sc2) |
<|startoftext|><L>CN(CC(=O)<mask_1:7>1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:7> | 1 | 9 | 7 | N | 7 | CN(CC(=O)N[C@@H]1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | N[C@@H] |
<|startoftext|><L>CN(CC(=O)N<mask_1:4>C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:4> | 5 | 10 | 4 | 1CCC[ | 4 | CN(CC(=O)N1CC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | 1CC[ |
<|startoftext|><L>CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)<mask_1:7>ccccc1<mask_1:7> | 5 | 38 | 7 | C1)c1 | 7 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)CCc1ccccc1 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | C1)CCc1 |
<|startoftext|><L>CN(CC<mask_1:2>N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:2> | 4 | 5 | 2 | (=O) | 2 | CN(CCCCN1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | CC |
<|startoftext|><L>CN(CC(<mask_1:3>)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:3> | 2 | 6 | 3 | =O | 3 | CN(CC(C#N)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | C#N |
<|startoftext|><L>CN(<mask_1:7>O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:7> | 4 | 3 | 7 | CC(= | 7 | CN(S(=O)(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1 | S(=O)(= |