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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
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<|startoftext|><L><mask_1:4>c(CNC(=O)NCCOc2ccc(C)cc2C)ccn1<mask_1:4> | 5 | 0 | 4 | COc1c | 4 | Cc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | Cc1c |
<|startoftext|><L>COc1cc(C<mask_1:3>C(=O)NCCOc2ccc(C)cc2C)ccn1<mask_1:3> | 1 | 8 | 3 | N | 3 | COc1cc(CCCNC(=O)NCCOc2ccc(C)cc2C)ccn1 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | CCN |
<|startoftext|><L>COc1cc(CNC(=O)NCCOc2ccc(C)cc2<mask_1:5>C)ccn1<mask_1:5> | 0 | 29 | 5 | 5 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2OC(C)C)ccn1 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | OC(C) |
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<|startoftext|><L>COc1cc<mask_1:3>(=O)NCCOc2ccc(C)cc2C)ccn1<mask_1:3> | 4 | 6 | 3 | (CNC | 3 | COc1cc(NC(=O)NCCOc2ccc(C)cc2C)ccn1 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | (NC |
<|startoftext|><L>COc1cc(CNC(=O)NCCOc2cc<mask_1:4>(C)cc2C)ccn1<mask_1:4> | 1 | 22 | 4 | c | 4 | COc1cc(CNC(=O)NCCOc2cc(C)c(C)cc2C)ccn1 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | (C)c |
<|startoftext|><L>CO<mask_1:5>1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1<mask_1:5> | 1 | 2 | 5 | c | 5 | COCCCNc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | CCCNc |
<|startoftext|><L>COc1cc(CNC(=O)NCCOc2ccc(C<mask_1:2>cc2C)ccn1<mask_1:2> | 1 | 25 | 2 | ) | 2 | COc1cc(CNC(=O)NCCOc2ccc(Cl)cc2C)ccn1 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | l) |
<|startoftext|><L>COc1cc(CNC(=O)NCCOc2cc<mask_1:5>C)cc2C)ccn1<mask_1:5> | 2 | 22 | 5 | c( | 5 | COc1cc(CNC(=O)NCCOc2cc(C)c(C)cc2C)ccn1 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | (C)c( |
<|startoftext|><L>COc1cc(C<mask_1:3>NC(=O)NCCOc2ccc(C)cc2C)ccn1<mask_1:3> | 0 | 8 | 3 | 3 | COc1cc(CSCCNC(=O)NCCOc2ccc(C)cc2C)ccn1 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | SCC |
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<|startoftext|><L>COc1cc(CNC(=O<mask_1:4>CCOc2ccc(C)cc2C)ccn1<mask_1:4> | 2 | 13 | 4 | )N | 4 | COc1cc(CNC(=O)NCCCCOc2ccc(C)cc2C)ccn1 | COc1cc(CNC(=O)NCCOc2ccc(C)cc2C)ccn1 | )NCC |
<|startoftext|><L>C[<mask_1:6>(C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1<mask_1:6> | 5 | 2 | 6 | C@@H] | 6 | C[C@](C)(C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | C@](C) |
<|startoftext|><L>C[C@@H](C(N)=O)N1CCCn2nc(CCC(<mask_1:5>CCO)cc2C1<mask_1:5> | 4 | 29 | 5 | =O)N | 5 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCCO)cc2C1 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | =O)NC |
<|startoftext|><L>C[C@@H](C(N)=O)N1CC<mask_1:2>n2nc(CCC(=O)NCCO)cc2C1<mask_1:2> | 1 | 19 | 2 | C | 2 | C[C@@H](C(N)=O)N1CCCCn2nc(CCC(=O)NCCO)cc2C1 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | CC |
<|startoftext|><L>C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)<mask_1:6>c2C1<mask_1:6> | 1 | 37 | 6 | c | 6 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)c(C#N)c2C1 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | c(C#N) |
<|startoftext|><L>C[C@<mask_1:4>(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1<mask_1:4> | 5 | 4 | 4 | @H](C | 4 | C[C@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | H](C |
<|startoftext|><L>C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O<mask_1:6>NCCO)cc2C1<mask_1:6> | 1 | 31 | 6 | ) | 6 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)N(C)CNCCO)cc2C1 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | )N(C)C |
<|startoftext|><L>C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O<mask_1:3>)cc2C1<mask_1:3> | 5 | 31 | 3 | )NCCO | 3 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NC)cc2C1 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | )NC |
<|startoftext|><L>C[C@@H](C(N)=<mask_1:4>CCn2nc(CCC(=O)NCCO)cc2C1<mask_1:4> | 5 | 13 | 4 | O)N1C | 4 | C[C@@H](C(N)=O)N1CCn2nc(CCC(=O)NCCO)cc2C1 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | O)N1 |
<|startoftext|><L>C[C@@H](C(N)=O)N1CCC<mask_1:6>2nc(CCC(=O)NCCO)cc2C1<mask_1:6> | 1 | 20 | 6 | n | 6 | C[C@@H](C(N)=O)N1CCC[C@@H]2nc(CCC(=O)NCCO)cc2C1 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | [C@@H] |
<|startoftext|><L>C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO<mask_1:4>c2C1<mask_1:4> | 2 | 36 | 4 | )c | 4 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCOCO)cc2C1 | C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NCCO)cc2C1 | CO)c |
<|startoftext|><L>CCc1c(C(=O)N2CCc3nn(<mask_1:5>=O)cc3C2)cnn1CC(C)C<mask_1:5> | 4 | 20 | 5 | C)c( | 5 | CCc1c(C(=O)N2CCc3nn(CC)c(=O)cc3C2)cnn1CC(C)C | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | CC)c( |
<|startoftext|><L>CCc1c(<mask_1:5>(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C<mask_1:5> | 1 | 6 | 5 | C | 5 | CCc1c(S(=O)(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | S(=O) |
<|startoftext|><L>CCc1c(C(=O)N<mask_1:4>Cc3nn(C)c(=O)cc3C2)cnn1CC(C)C<mask_1:4> | 2 | 12 | 4 | 2C | 4 | CCc1c(C(=O)NCCN2Cc3nn(C)c(=O)cc3C2)cnn1CC(C)C | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | CCN2 |
<|startoftext|><L>CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)c<mask_1:1>(C)C<mask_1:1> | 5 | 34 | 1 | nn1CC | 1 | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1(C)C | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | 1 |
<|startoftext|><L>CCc1c(C(=<mask_1:6>O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C<mask_1:6> | 0 | 9 | 6 | 6 | CCc1c(C(=O)NC(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | O)NC(= |
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<|startoftext|><L>CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(<mask_1:1>C)C<mask_1:1> | 0 | 40 | 1 | 1 | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(CC)C | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | C |
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<|startoftext|><L>CCc1c(C(=O)N2<mask_1:6>n(C)c(=O)cc3C2)cnn1CC(C)C<mask_1:6> | 5 | 13 | 6 | CCc3n | 6 | CCc1c(C(=O)N2CCOc3nn(C)c(=O)cc3C2)cnn1CC(C)C | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | CCOc3n |
<|startoftext|><L>CCc1c(C(=O)N2CCc3nn(C<mask_1:4>)c(=O)cc3C2)cnn1CC(C)C<mask_1:4> | 0 | 21 | 4 | 4 | CCc1c(C(=O)N2CCc3nn(C(C)C)c(=O)cc3C2)cnn1CC(C)C | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | (C)C |
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<|startoftext|><L>CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1C<mask_1:6>C(C)C<mask_1:6> | 0 | 38 | 6 | 6 | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(=O)OC(C)C | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | C(=O)O |
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<|startoftext|><L>CCc1c<mask_1:6>O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C<mask_1:6> | 4 | 5 | 6 | (C(= | 6 | CCc1c(CNC(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | CCc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1CC(C)C | (CNC(= |
<|startoftext|><L>C<mask_1:2>n1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O<mask_1:2> | 5 | 1 | 2 | C(C)C | 2 | CCCn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | CC |
<|startoftext|><L>CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC<mask_1:1>3)S(=O)(=O)CC2)cc1=O<mask_1:1> | 0 | 30 | 1 | 1 | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCCC3)S(=O)(=O)CC2)cc1=O | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | C |
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<|startoftext|><L>CC(C)Cn1[nH]c(CC(=O)N2CC<mask_1:4>3(CCC3)S(=O)(=O)CC2)cc1=O<mask_1:4> | 1 | 24 | 4 | C | 4 | CC(C)Cn1[nH]c(CC(=O)N2CC[C@]3(CCC3)S(=O)(=O)CC2)cc1=O | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | [C@] |
<|startoftext|><L><mask_1:6>C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O<mask_1:6> | 3 | 0 | 6 | CC( | 6 | CC(C)(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | CC(C)( |
<|startoftext|><L>CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S<mask_1:2>=O)CC2)cc1=O<mask_1:2> | 5 | 33 | 2 | (=O)( | 2 | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)SC(=O)CC2)cc1=O | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | C( |
<|startoftext|><L>CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC<mask_1:3>)S(=O)(=O)CC2)cc1=O<mask_1:3> | 1 | 30 | 3 | 3 | 3 | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCCCO3)S(=O)(=O)CC2)cc1=O | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | CO3 |
<|startoftext|><L>CC(C)Cn1[nH]c(CC(=O)N2C<mask_1:7>CCC3)S(=O)(=O)CC2)cc1=O<mask_1:7> | 4 | 23 | 7 | CC3( | 7 | CC(C)Cn1[nH]c(CC(=O)N2CC(CN3CCCCC3)S(=O)(=O)CC2)cc1=O | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | C(CN3CC |
<|startoftext|><L>CC(C)Cn1[nH]c(<mask_1:5>N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O<mask_1:5> | 6 | 14 | 5 | CC(=O) | 5 | CC(C)Cn1[nH]c(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | C(=O) |
<|startoftext|><L>CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)<mask_1:3>=O)CC2)cc1=O<mask_1:3> | 6 | 32 | 3 | S(=O)( | 3 | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)CC(=O)CC2)cc1=O | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | CC( |
<|startoftext|><L>CC(C)Cn1[nH]c<mask_1:6>=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O<mask_1:6> | 4 | 13 | 6 | (CC( | 6 | CC(C)Cn1[nH]c(COCC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | CC(C)Cn1[nH]c(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1=O | (COCC( |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1)[<mask_1:8>@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3<mask_1:8> | 7 | 19 | 8 | C@H]1[C | 8 | O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | C@@H]1[C |
<|startoftext|><L>O=C(Nc1c<mask_1:10>l)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3<mask_1:10> | 5 | 8 | 10 | ccc(C | 9 | O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | cc(Cl)c(C |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)<mask_1:7>ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3<mask_1:7> | 4 | 35 | 7 | N(c3 | 7 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(CCOc3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | N(CCOc3 |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[<mask_1:9>C[C@H]1O3<mask_1:9> | 7 | 55 | 9 | C@]23C= | 9 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=CC[C@H]1O3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | C@@]23C=C |
<|startoftext|><L>O=C(Nc1cccc(Cl)<mask_1:7>@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3<mask_1:7> | 5 | 15 | 7 | c1)[C | 7 | O=C(Nc1cccc(Cl)c1Cl)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | c1Cl)[C |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)O<mask_1:1>CO4)C[C@]23C=C[C@H]1O3<mask_1:1> | 0 | 49 | 1 | 1 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C[C@]23C=C[C@H]1O3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | C |
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<|startoftext|><L>O=C(Nc1cccc(<mask_1:9>C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3<mask_1:9> | 7 | 12 | 9 | Cl)c1)[ | 9 | O=C(Nc1cccc(F)c1F)OC[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | F)c1F)OC[ |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C<mask_1:9>]1O3<mask_1:9> | 6 | 61 | 9 | =C[C@H | 7 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@@H]1O3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | =C[C@@H |
<|startoftext|><L>O=C(Nc1ccc<mask_1:3>[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3<mask_1:3> | 8 | 10 | 3 | c(Cl)c1) | 3 | O=C(Nc1cccs1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | s1) |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=<mask_1:3>]1O3<mask_1:3> | 5 | 62 | 3 | C[C@H | 3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=[C@]1O3 | O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 | [C@ |
<|startoftext|><L>COc1cccc(NCC(<mask_1:6>O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1<mask_1:6> | 1 | 13 | 6 | = | 6 | COc1cccc(NCC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | =O)C(= |
<|startoftext|><L>COc1ccc<mask_1:4>NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1<mask_1:4> | 2 | 7 | 4 | c( | 4 | COc1cccc(CCNCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | c(CC |
<|startoftext|><L>COc1cccc(NCC(=O)N<mask_1:7>cc(S(=O)(=O)N3CCCCCC3)cc2)c1<mask_1:7> | 3 | 17 | 7 | c2c | 7 | COc1cccc(NCC(=O)N(C)Cc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | (C)Cc2c |
<|startoftext|><L>COc1cccc(NCC(<mask_1:6>=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1<mask_1:6> | 0 | 13 | 6 | 6 | COc1cccc(NCC(=O)NC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | =O)NC( |
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<|startoftext|><L>COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)<mask_1:6>1<mask_1:6> | 1 | 46 | 6 | c | 6 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1C1CC1 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | c1C1CC |
<|startoftext|><L>COc1cccc(NCC(=O)Nc2cc<mask_1:7>=O)(=O)N3CCCCCC3)cc2)c1<mask_1:7> | 4 | 21 | 7 | c(S( | 8 | COc1cccc(NCC(=O)Nc2ccc(N(C)S(=O)(=O)N3CCCCCC3)cc2)c1 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | c(N(C)S( |
<|startoftext|><L>COc1cccc(N<mask_1:2>CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1<mask_1:2> | 0 | 10 | 2 | 2 | COc1cccc(NCCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | CC |
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<|startoftext|><L>COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CC<mask_1:2>CCC3)cc2)c1<mask_1:2> | 1 | 36 | 2 | C | 2 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCCC3)cc2)c1 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | CC |
<|startoftext|><L>COc1cccc(NCC(<mask_1:4>Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1<mask_1:4> | 3 | 13 | 4 | =O) | 4 | COc1cccc(NCC(=O)NNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | =O)N |
<|startoftext|><L>COc1cccc(N<mask_1:5>C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1<mask_1:5> | 1 | 10 | 5 | C | 5 | COc1cccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 | C(=O) |
<|startoftext|><L>Cn1cc(NC(=O)[C@H]2CO[C@H<mask_1:4>CCC(=O)O)C2)c(C(F)(F)F)n1<mask_1:4> | 2 | 24 | 4 | ]( | 4 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCCCC(=O)O)C2)c(C(F)(F)F)n1 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | ](CC |
<|startoftext|><L>Cn1cc(NC(=O)[C@H]2CO[C@H](C<mask_1:6>C(=O)O)C2)c(C(F)(F)F)n1<mask_1:6> | 1 | 27 | 6 | C | 6 | Cn1cc(NC(=O)[C@H]2CO[C@H](CNC(=O)C(=O)O)C2)c(C(F)(F)F)n1 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | NC(=O) |
<|startoftext|><L>C<mask_1:3>cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1<mask_1:3> | 2 | 1 | 3 | n1 | 3 | CCn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | Cn1 |
<|startoftext|><L>Cn1cc(NC(=O)[C@H]2CO[C@H<mask_1:5>C(=O)O)C2)c(C(F)(F)F)n1<mask_1:5> | 4 | 24 | 5 | ](CC | 5 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCCC(=O)O)C2)c(C(F)(F)F)n1 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | ](CCC |
<|startoftext|><L>Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(<mask_1:3>n1<mask_1:3> | 7 | 42 | 3 | F)(F)F) | 4 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)F)n1 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | F)F) |
<|startoftext|><L>Cn1cc(NC(=O)[C@<mask_1:6>]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1<mask_1:6> | 1 | 15 | 6 | H | 6 | Cn1cc(NC(=O)[C@H][C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | H][C@H |
<|startoftext|><L>Cn1cc(N<mask_1:2>C(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1<mask_1:2> | 0 | 7 | 2 | 2 | Cn1cc(NCNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | CN |
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<|startoftext|><L>Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F<mask_1:3>)n1<mask_1:3> | 5 | 43 | 3 | )(F)F | 3 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)=O)n1 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | )=O |
<|startoftext|><L>Cn1cc(N<mask_1:2>[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1<mask_1:2> | 5 | 7 | 2 | C(=O) | 2 | Cn1cc(NCC[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | CC |
<|startoftext|><L>Cn1cc(NC(=O)[C@H]2CO<mask_1:6>C@H](CCC(=O)O)C2)c(C(F)(F)F)n1<mask_1:6> | 1 | 20 | 6 | [ | 6 | Cn1cc(NC(=O)[C@H]2COC(=O)[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c(C(F)(F)F)n1 | C(=O)[ |
<|startoftext|><L>CCOc1<mask_1:4>cc(C(=O)CSc2nnc(N)s2)cc1<mask_1:4> | 1 | 5 | 4 | c | 4 | CCOc1c(C)cc(C(=O)CSc2nnc(N)s2)cc1 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | c(C) |
<|startoftext|><L>CCOc1ccc(C(=O)CSc2<mask_1:2>(N)s2)cc1<mask_1:2> | 3 | 18 | 2 | nnc | 3 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | nnc |
<|startoftext|><L>CCOc1ccc(C(=O)CSc2nnc(N<mask_1:2>)s2)cc1<mask_1:2> | 0 | 23 | 2 | 2 | CCOc1ccc(C(=O)CSc2nnc(NCC)s2)cc1 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | CC |
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<|startoftext|><L>CCOc1ccc(C<mask_1:3>=O)CSc2nnc(N)s2)cc1<mask_1:3> | 1 | 10 | 3 | ( | 3 | CCOc1ccc(CNC(=O)CSc2nnc(N)s2)cc1 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | NC( |
<|startoftext|><L>CCOc1ccc(<mask_1:1>C(=O)CSc2nnc(N)s2)cc1<mask_1:1> | 0 | 9 | 1 | 1 | CCOc1ccc(NC(=O)CSc2nnc(N)s2)cc1 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | N |
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<|startoftext|><L><mask_1:1>c1ccc(C(=O)CSc2nnc(N)s2)cc1<mask_1:1> | 3 | 0 | 1 | CCO | 1 | Cc1ccc(C(=O)CSc2nnc(N)s2)cc1 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | C |
<|startoftext|><L>CCOc1c<mask_1:4>cc(C(=O)CSc2nnc(N)s2)cc1<mask_1:4> | 0 | 6 | 4 | 4 | CCOc1c(Br)cc(C(=O)CSc2nnc(N)s2)cc1 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | (Br) |
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<|startoftext|><L>CCOc1ccc(C(=O)<mask_1:2>nnc(N)s2)cc1<mask_1:2> | 4 | 14 | 2 | CSc2 | 2 | CCOc1ccc(C(=O)c2nnc(N)s2)cc1 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | c2 |
<|startoftext|><L>CCOc1ccc(C(=O)C<mask_1:2>nnc(N)s2)cc1<mask_1:2> | 3 | 15 | 2 | Sc2 | 2 | CCOc1ccc(C(=O)Cc2nnc(N)s2)cc1 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | c2 |
<|startoftext|><L>CCOc1cc<mask_1:4>(=O)CSc2nnc(N)s2)cc1<mask_1:4> | 3 | 7 | 4 | c(C | 4 | CCOc1ccc(NC(=O)CSc2nnc(N)s2)cc1 | CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1 | c(NC |
<|startoftext|><L>COc1cccc(C(=O)Nc2ccc(C(=<mask_1:5>)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1<mask_1:5> | 1 | 24 | 5 | O | 5 | COc1cccc(C(=O)Nc2ccc(C(=O)N(C)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | O)N(C |
<|startoftext|><L>COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC<mask_1:3>)sc4n3)cc2)c1<mask_1:3> | 1 | 45 | 3 | 5 | 3 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CCCC5)sc4n3)cc2)c1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | CC5 |
<|startoftext|><L>COc1cccc<mask_1:6>(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1<mask_1:6> | 2 | 8 | 6 | (C | 6 | COc1cccc(S(=O)(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | (S(=O) |
<|startoftext|><L>COc1<mask_1:4>C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1<mask_1:4> | 5 | 4 | 4 | cccc( | 4 | COc1csc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | csc( |
<|startoftext|><L>COc1cccc(C(=O)Nc2ccc(C(=O)OCc3c<mask_1:1>O)n4nc(C5CC5)sc4n3)cc2)c1<mask_1:1> | 3 | 31 | 1 | c(= | 1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3c(O)n4nc(C5CC5)sc4n3)cc2)c1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | ( |
<|startoftext|><L>COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4n<mask_1:7>CC5)sc4n3)cc2)c1<mask_1:7> | 4 | 39 | 7 | c(C5 | 7 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(N5CCCCC5)sc4n3)cc2)c1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | c(N5CCC |
<|startoftext|><L>COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C<mask_1:4>CC5)sc4n3)cc2)c1<mask_1:4> | 1 | 42 | 4 | 5 | 4 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CCCCC5)sc4n3)cc2)c1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | 5CCC |
<|startoftext|><L>C<mask_1:7>c1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1<mask_1:7> | 1 | 1 | 7 | O | 7 | CNC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | NC(=O)N |
<|startoftext|><L>COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C<mask_1:3>CC5)sc4n3)cc2)c1<mask_1:3> | 1 | 42 | 3 | 5 | 3 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CCCC5)sc4n3)cc2)c1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | 5CC |
<|startoftext|><L><mask_1:7>cc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1<mask_1:7> | 6 | 0 | 7 | COc1cc | 7 | N#Cc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)cc2)c1 | N#Cc1cc |
<|startoftext|><L>Cc1cc(C<mask_1:6>C(=O)N2CCc3ccccc3CC2)c(=O)n1<mask_1:6> | 5 | 7 | 6 | )n(CC | 6 | Cc1cc(C)n(CCCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | )n(CCC |
<|startoftext|><L>Cc1cc(C)n(CCC(=O)N2CCc3ccccc3<mask_1:4>2)c(=O)n1<mask_1:4> | 2 | 29 | 4 | CC | 4 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CCCC2)c(=O)n1 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | CCCC |
<|startoftext|><L>Cc1cc(C)n(CCC(=O)N2CCc3c<mask_1:6>ccc3CC2)c(=O)n1<mask_1:6> | 1 | 24 | 6 | c | 6 | Cc1cc(C)n(CCC(=O)N2CCc3c(C#N)cccc3CC2)c(=O)n1 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | (C#N)c |
<|startoftext|><L>Cc1cc(C)n(CCC(=O)N2CCc3ccc<mask_1:6>CC2)c(=O)n1<mask_1:6> | 3 | 26 | 6 | cc3 | 6 | Cc1cc(C)n(CCC(=O)N2CCc3ccc(F)cc3CC2)c(=O)n1 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | (F)cc3 |
<|startoftext|><L>Cc1cc(C)n(CCC(=O)N2CC<mask_1:5>c3CC2)c(=O)n1<mask_1:5> | 6 | 21 | 5 | c3cccc | 5 | Cc1cc(C)n(CCC(=O)N2CCc3sccc3CC2)c(=O)n1 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | c3scc |
<|startoftext|><L>Cc1cc(C)n(<mask_1:4>CC(=O)N2CCc3ccccc3CC2)c(=O)n1<mask_1:4> | 1 | 10 | 4 | C | 4 | Cc1cc(C)n(CCCOCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | CCCO |
<|startoftext|><L>Cc1cc(C)n(CCC(=O)<mask_1:4>ccccc3CC2)c(=O)n1<mask_1:4> | 6 | 17 | 4 | N2CCc3 | 4 | Cc1cc(C)n(CCC(=O)N2c3ccccc3CC2)c(=O)n1 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | N2c3 |
<|startoftext|><L>Cc1cc(C)n(CCC(=O)N2CCc3ccc<mask_1:5>3CC2)c(=O)n1<mask_1:5> | 2 | 26 | 5 | cc | 5 | Cc1cc(C)n(CCC(=O)N2CCc3cccc(F)c3CC2)c(=O)n1 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | c(F)c |
<|startoftext|><L>Cc1cc(C)n(CCC(=O)N2CCc3<mask_1:5>cccc3CC2)c(=O)n1<mask_1:5> | 1 | 23 | 5 | c | 5 | Cc1cc(C)n(CCC(=O)N2CCc3c(Cl)cccc3CC2)c(=O)n1 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | c(Cl) |
<|startoftext|><L>Cc1cc(C)n(CCC(=O)N2CCc3ccc<mask_1:2>CC2)c(=O)n1<mask_1:2> | 3 | 26 | 2 | cc3 | 2 | Cc1cc(C)n(CCC(=O)N2CCc3cccn3CC2)c(=O)n1 | Cc1cc(C)n(CCC(=O)N2CCc3ccccc3CC2)c(=O)n1 | n3 |