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stringlengths 49
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| first_mask_count
int64 0
16
| first_start_index
int64 0
224
| first_mask_gen_count
int64 1
16
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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
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>COCCN(Cc1cc2ccc<mask_1:5>)c2[nH]c1=O)C(=O)COC<mask_1:5> | 3 | 15 | 5 | c(C | 5 | COCCN(Cc1cc2cccc(OCC)c2[nH]c1=O)C(=O)COC | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | c(OCC |
<|startoftext|><L>COCCN(Cc1cc2ccc<mask_1:4>c(C)c2[nH]c1=O)C(=O)COC<mask_1:4> | 0 | 15 | 4 | 4 | COCCN(Cc1cc2ccc(OC)c(C)c2[nH]c1=O)C(=O)COC | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | (OC) |
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<|startoftext|><L>COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)<mask_1:3>C<mask_1:3> | 2 | 35 | 3 | CO | 3 | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)NCCC | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | NCC |
<|startoftext|><L>COCCN(Cc1cc2ccc<mask_1:5>)c2[nH]c1=O)C(=O)COC<mask_1:5> | 3 | 15 | 5 | c(C | 5 | COCCN(Cc1cc2cccc(C#N)c2[nH]c1=O)C(=O)COC | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | c(C#N |
<|startoftext|><L><mask_1:4>OCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC<mask_1:4> | 1 | 0 | 4 | C | 4 | CCCCOCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | CCCC |
<|startoftext|><L>COCCN(Cc1cc2ccc<mask_1:4>C)c2[nH]c1=O)C(=O)COC<mask_1:4> | 2 | 15 | 4 | c( | 4 | COCCN(Cc1cc2cccc(OCC)c2[nH]c1=O)C(=O)COC | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | c(OC |
<|startoftext|><L>COCCN(Cc1cc2cccc(C)c<mask_1:4>nH]c1=O)C(=O)COC<mask_1:4> | 2 | 20 | 4 | 2[ | 4 | COCCN(Cc1cc2cccc(C)c2cc[nH]c1=O)C(=O)COC | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | 2cc[ |
<|startoftext|><L>COC<mask_1:5>c1cc2cccc(C)c2[nH]c1=O)C(=O)COC<mask_1:5> | 4 | 3 | 5 | CN(C | 5 | COCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | CCN(C |
<|startoftext|><L>COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=<mask_1:5>C<mask_1:5> | 4 | 33 | 5 | O)CO | 5 | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)NCCC | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | O)NCC |
<|startoftext|><L>COCCN(Cc1cc2cccc<mask_1:4>C)c2[nH]c1=O)C(=O)COC<mask_1:4> | 1 | 16 | 4 | ( | 4 | COCCN(Cc1cc2cccc(OCCC)c2[nH]c1=O)C(=O)COC | COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)COC | (OCC |
<|startoftext|><L>CC1=Nc2c(c(=O)[nH]n2<mask_1:2>CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1<mask_1:2> | 7 | 20 | 2 | [C@@H]2 | 2 | CC1=Nc2c(c(=O)[nH]n2C2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | C2 |
<|startoftext|><L>CC1=Nc2c(c(=O)[nH]n2[C<mask_1:7>C(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1<mask_1:7> | 8 | 22 | 7 | @@H]2CCO | 7 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | @@H]2CC |
<|startoftext|><L>CC1=Nc2c(c(=O)[nH]n2[C@<mask_1:6>CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1<mask_1:6> | 4 | 23 | 6 | @H]2 | 6 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCCCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | @H]2CC |
<|startoftext|><L>CC1=Nc2c(c(=O)[nH]n2[C@<mask_1:7>(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1<mask_1:7> | 8 | 23 | 7 | @H]2CCOC | 8 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | @H]2CCOC |
<|startoftext|><L>CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H]<mask_1:9>c[nH]c2=O)S1<mask_1:9> | 5 | 45 | 9 | (c2cc | 9 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc(Cl)c[nH]c2=O)S1 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | (c2cc(Cl) |
<|startoftext|><L>CC1=Nc2c(c(<mask_1:7>[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1<mask_1:7> | 3 | 11 | 7 | =O) | 7 | CC1=Nc2c(c(=O)[nH][nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | =O)[nH] |
<|startoftext|><L>CC1=Nc2c(c(=O)[nH]n2[C@<mask_1:7>2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1<mask_1:7> | 3 | 23 | 7 | @H] | 7 | CC1=Nc2c(c(=O)[nH]n2[C@@H](C)N2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | @H](C)N |
<|startoftext|><L>CC<mask_1:9>c2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1<mask_1:9> | 3 | 2 | 9 | 1=N | 9 | CCCC1=C(C)Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | CC1=C(C)N |
<|startoftext|><L>CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C<mask_1:4>(c2ccc[nH]c2=O)S1<mask_1:4> | 3 | 42 | 4 | @H] | 4 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc[nH]c2=O)S1 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | @@H] |
<|startoftext|><L>CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O<mask_1:7>1<mask_1:7> | 2 | 59 | 7 | )S | 7 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S(=O)N1 | CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 | )S(=O)N |
<|startoftext|><L>C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2<mask_1:6>C1<mask_1:6> | 2 | 56 | 6 | )C | 6 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)C(=O)C1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | )C(=O) |
<|startoftext|><L><mask_1:7>c1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1<mask_1:7> | 8 | 0 | 7 | C[C@H](O | 7 | CC(C)N(c1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | CC(C)N( |
<|startoftext|><L>C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS<mask_1:8>2)CC1<mask_1:8> | 9 | 46 | 8 | (=O)(=O)C | 8 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)2)CC1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | (=O)(=O) |
<|startoftext|><L>C<mask_1:4>[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1<mask_1:4> | 0 | 1 | 4 | 4 | CC(C)[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | C(C) |
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<|startoftext|><L>C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(<mask_1:9>)CC1<mask_1:9> | 5 | 51 | 9 | =O)C2 | 9 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2(C)C)CC1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | =O)C2(C)C |
<|startoftext|><L>C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2<mask_1:2>O)(=O)C2)CC1<mask_1:2> | 5 | 43 | 2 | CCS(= | 2 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2S(O)(=O)C2)CC1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | S( |
<|startoftext|><L>C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC<mask_1:1>([C@@H]2CCS(=O)(=O)C2)CC1<mask_1:1> | 4 | 31 | 1 | 1CCN | 1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1([C@@H]2CCS(=O)(=O)C2)CC1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | 1 |
<|startoftext|><L>C[C<mask_1:9>1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1<mask_1:9> | 6 | 3 | 9 | @H](Oc | 9 | C[C@@H](CCCc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | @@H](CCCc |
<|startoftext|><L>C[C@H](Oc1ccc2c(c1)OC<mask_1:1>)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1<mask_1:1> | 7 | 21 | 1 | O2)C(=O | 1 | C[C@H](Oc1ccc2c(c1)OC2)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | 2 |
<|startoftext|><L>C[C@H](Oc1ccc<mask_1:9>2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1<mask_1:9> | 0 | 13 | 9 | 9 | C[C@H](Oc1ccccc1-c1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | cc1-c1ccc |
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<|startoftext|><L>CCOC(<mask_1:1>)c1c(C)oc2ccc(O)c(CN(C)C)c12<mask_1:1> | 2 | 5 | 1 | =O | 1 | CCOC(C)c1c(C)oc2ccc(O)c(CN(C)C)c12 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 | C |
<|startoftext|><L>CCOC(=O)c1c(C)oc2c<mask_1:4>O)c(CN(C)C)c12<mask_1:4> | 3 | 18 | 4 | cc( | 4 | CCOC(=O)c1c(C)oc2ccc(CO)c(CN(C)C)c12 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 | cc(C |
<|startoftext|><L>CCOC(=O)c1c(C)oc2ccc(O)<mask_1:3>(C)C)c12<mask_1:3> | 4 | 23 | 3 | c(CN | 3 | CCOC(=O)c1c(C)oc2ccc(O)c(C(C)C)c12 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 | c(C |
<|startoftext|><L>CCOC(=O)c1c(<mask_1:2>C)oc2ccc(O)c(CN(C)C)c12<mask_1:2> | 0 | 12 | 2 | 2 | CCOC(=O)c1c(C=C)oc2ccc(O)c(CN(C)C)c12 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 | C= |
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<|startoftext|><L>CCOC(=O)c1c(C)oc2ccc(O)c<mask_1:3>N(C)C)c12<mask_1:3> | 2 | 24 | 3 | (C | 3 | CCOC(=O)c1c(C)oc2ccc(O)c(CCN(C)C)c12 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 | (CC |
<|startoftext|><L>CCOC(<mask_1:5>1c(C)oc2ccc(O)c(CN(C)C)c12<mask_1:5> | 4 | 5 | 5 | =O)c | 5 | CCOC(=O)Cc1c(C)oc2ccc(O)c(CN(C)C)c12 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 | =O)Cc |
<|startoftext|><L>CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)<mask_1:3>)c12<mask_1:3> | 1 | 30 | 3 | C | 3 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)CCC)c12 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 | CCC |
<|startoftext|><L>CCOC(=O)c1c(C)oc2ccc(O)c(CN<mask_1:1>C)c12<mask_1:1> | 3 | 27 | 1 | (C) | 1 | CCOC(=O)c1c(C)oc2ccc(O)c(CNCC)c12 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 | C |
<|startoftext|><L>CCOC(=O)c1c(C)oc2ccc(O)c<mask_1:1>N(C)C)c12<mask_1:1> | 2 | 24 | 1 | (C | 1 | CCOC(=O)c1c(C)oc2ccc(O)c(N(C)C)c12 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 | ( |
<|startoftext|><L>CCOC(=O)c1c<mask_1:4>)oc2ccc(O)c(CN(C)C)c12<mask_1:4> | 2 | 11 | 4 | (C | 4 | CCOC(=O)c1cc(=O)oc2ccc(O)c(CN(C)C)c12 | CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 | c(=O |
<|startoftext|><L>COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc2<mask_1:5>)C1CC1<mask_1:5> | 1 | 35 | 5 | 1 | 5 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C(C)C1CC1 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | 1)C(C |
<|startoftext|><L>COC(=O)[C@](C)(NCC<mask_1:1>1CCCc2ccccc21)C1CC1<mask_1:1> | 5 | 18 | 1 | (=O)N | 1 | COC(=O)[C@](C)(NCCN1CCCc2ccccc21)C1CC1 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | N |
<|startoftext|><L>COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21<mask_1:6>1<mask_1:6> | 5 | 36 | 6 | )C1CC | 6 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CCC1 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | )C1CCC |
<|startoftext|><L>COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21<mask_1:3>1CC1<mask_1:3> | 2 | 36 | 3 | )C | 3 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)CC1CC1 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | )CC |
<|startoftext|><L>COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)<mask_1:5>1<mask_1:5> | 4 | 37 | 5 | C1CC | 5 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CCC1 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | C1CCC |
<|startoftext|><L>C<mask_1:2>=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1<mask_1:2> | 3 | 1 | 2 | OC( | 2 | CC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | C( |
<|startoftext|><L>COC(=O)[C@](C)(NCC<mask_1:5>)N1CCCc2ccccc21)C1CC1<mask_1:5> | 3 | 18 | 5 | (=O | 5 | COC(=O)[C@](C)(NCCNC(=O)N1CCCc2ccccc21)C1CC1 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | NC(=O |
<|startoftext|><L>COC(=O)[C<mask_1:3>)(NCC(=O)N1CCCc2ccccc21)C1CC1<mask_1:3> | 4 | 9 | 3 | @](C | 3 | COC(=O)[C](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | ](C |
<|startoftext|><L>COC(=O)[C@](C)(NCC<mask_1:1>1CCCc2ccccc21)C1CC1<mask_1:1> | 5 | 18 | 1 | (=O)N | 1 | COC(=O)[C@](C)(NCCN1CCCc2ccccc21)C1CC1 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | N |
<|startoftext|><L>COC(=O)[C@](C)(NC<mask_1:1>1CCCc2ccccc21)C1CC1<mask_1:1> | 6 | 17 | 1 | C(=O)N | 1 | COC(=O)[C@](C)(NCN1CCCc2ccccc21)C1CC1 | COC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 | N |
<|startoftext|><L><mask_1:1>NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1<mask_1:1> | 6 | 0 | 1 | CC(=O) | 1 | CNCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | C |
<|startoftext|><L>CC(=O)N<mask_1:3>c([C@H]2CCCN2C(=O)c2cncs2)ccn1<mask_1:3> | 4 | 7 | 3 | Cc1c | 3 | CC(=O)Nc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | c1c |
<|startoftext|><L>CC(=O)NCc1cc([C@H]2CCCN2C(=O<mask_1:5>c2cncs2)ccn1<mask_1:5> | 1 | 28 | 5 | ) | 5 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)CCCNc2cncs2)ccn1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | )CCCN |
<|startoftext|><L>CC(=O)NCc1cc([C@<mask_1:2>]2CCCN2C(=O)c2cncs2)ccn1<mask_1:2> | 1 | 16 | 2 | H | 2 | CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cncs2)ccn1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | @H |
<|startoftext|><L>CC(=O)<mask_1:2>Cc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1<mask_1:2> | 1 | 6 | 2 | N | 2 | CC(=O)NCCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | NC |
<|startoftext|><L>CC(=O)NCc1cc([C@H]2CCCN2<mask_1:5>O)c2cncs2)ccn1<mask_1:5> | 3 | 24 | 5 | C(= | 5 | CC(=O)NCc1cc([C@H]2CCCN2CCC(=O)c2cncs2)ccn1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | CCC(= |
<|startoftext|><L>CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cnc<mask_1:5>s2)ccn1<mask_1:5> | 0 | 34 | 5 | 5 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cnc(C#N)s2)ccn1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | (C#N) |
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<|startoftext|><L>CC(=O)NCc1cc([C@H]2CCCN2C(=O)c<mask_1:6>cs2)ccn1<mask_1:6> | 3 | 30 | 6 | 2cn | 6 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2nc(C)cs2)ccn1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | 2nc(C) |
<|startoftext|><L>CC(=O)<mask_1:5>([C@H]2CCCN2C(=O)c2cncs2)ccn1<mask_1:5> | 6 | 6 | 5 | NCc1cc | 5 | CC(=O)Nc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | Nc1cc |
<|startoftext|><L>CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2<mask_1:1>n1<mask_1:1> | 3 | 36 | 1 | )cc | 1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)n1 | CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 | ) |
<|startoftext|><L>CCN(C(=O<mask_1:1>CN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C<mask_1:1> | 2 | 8 | 1 | )C | 1 | CCN(C(=O)CN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | ) |
<|startoftext|><L>CCN(C(=O)CCN1<mask_1:4>(=O)[C@H](C)Oc2ccccc21)c1ccccc1C<mask_1:4> | 1 | 13 | 4 | C | 4 | CCN(C(=O)CCN1CCNC(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | CCNC |
<|startoftext|><L>CCN(C(=O)CCN1C(=O)[C@H<mask_1:2>2ccccc21)c1ccccc1C<mask_1:2> | 6 | 22 | 2 | ](C)Oc | 2 | CCN(C(=O)CCN1C(=O)[C@H]c2ccccc21)c1ccccc1C | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | ]c |
<|startoftext|><L>CCN(C<mask_1:4>=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C<mask_1:4> | 1 | 5 | 4 | ( | 4 | CCN(CCNC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | CNC( |
<|startoftext|><L>CCN(C(=O)CCN1C(=O)[C@H](C)O<mask_1:5>c2ccccc21)c1ccccc1C<mask_1:5> | 0 | 27 | 5 | 5 | CCN(C(=O)CCN1C(=O)[C@H](C)OC(=O)c2ccccc21)c1ccccc1C | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | C(=O) |
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<|startoftext|><L>CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccc<mask_1:6>C<mask_1:6> | 3 | 42 | 6 | cc1 | 6 | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccc(C)cc1C | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | (C)cc1 |
<|startoftext|><L>CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)<mask_1:3>ccc1C<mask_1:3> | 4 | 37 | 3 | c1cc | 3 | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1sccc1C | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | c1s |
<|startoftext|><L>CCN<mask_1:1>(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C<mask_1:1> | 0 | 3 | 1 | 1 | CCNN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | N |
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<|startoftext|><L><mask_1:3>N(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C<mask_1:3> | 2 | 0 | 3 | CC | 3 | CCCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | CCC |
<|startoftext|><L>CCN(C(=<mask_1:5>CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C<mask_1:5> | 2 | 7 | 5 | O) | 5 | CCN(C(=O)CNCCCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C | O)CNC |
<|startoftext|><L>Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2<mask_1:5>(=O)CCCN2CCCCCC2)n1<mask_1:5> | 1 | 39 | 5 | C | 5 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2S(=O)(=O)CCCN2CCCCCC2)n1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | S(=O) |
<|startoftext|><L>Cc1cc(<mask_1:8>(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1<mask_1:8> | 6 | 6 | 8 | Oc2ccc | 7 | Cc1cc(SCc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | SCc2ccc |
<|startoftext|><L>Cc1cc(Oc2ccc(C(N)=O)cc2)nc<mask_1:7>@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1<mask_1:7> | 3 | 26 | 7 | ([C | 7 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc(CNC[C@@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | (CNC[C@ |
<|startoftext|><L>Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2<mask_1:4>(=O)CCCN2CCCCCC2)n1<mask_1:4> | 1 | 39 | 4 | C | 4 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2CCNC(=O)CCCN2CCCCCC2)n1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | CCNC |
<|startoftext|><L>Cc1cc(Oc2ccc<mask_1:8>(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1<mask_1:8> | 2 | 12 | 8 | (C | 8 | Cc1cc(Oc2ccc(NC(=O)C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | (NC(=O)C |
<|startoftext|><L>Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCC<mask_1:1>CCC2)n1<mask_1:1> | 5 | 47 | 1 | N2CCC | 1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCC2CCC2)n1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | 2 |
<|startoftext|><L><mask_1:6>c2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1<mask_1:6> | 7 | 0 | 6 | Cc1cc(O | 6 | Cc1cc(c2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | Cc1cc( |
<|startoftext|><L>Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H<mask_1:3>CN2C(=O)CCCN2CCCCCC2)n1<mask_1:3> | 5 | 31 | 3 | ]2CCC | 3 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCN2C(=O)CCCN2CCCCCC2)n1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | ]2C |
<|startoftext|><L>Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@<mask_1:6>CCCN2C(=O)CCCN2CCCCCC2)n1<mask_1:6> | 4 | 30 | 6 | H]2C | 6 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@@H]2CCCCCN2C(=O)CCCN2CCCCCC2)n1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | @H]2CC |
<|startoftext|><L>Cc1cc(Oc2ccc(C(N)=O)cc2)nc(<mask_1:6>]2CCCCN2C(=O)CCCN2CCCCCC2)n1<mask_1:6> | 4 | 27 | 6 | [C@H | 5 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCCN2CCCCCC2)n1 | [C@@H |
<|startoftext|><L>CCOc1ccc(C(=O)Oc2ccc(C(=O)c<mask_1:3>3)cc2)cc1<mask_1:3> | 6 | 27 | 3 | 3ccccc | 3 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3no3)cc2)cc1 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | 3no |
<|startoftext|><L>C<mask_1:3>c(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1<mask_1:3> | 6 | 1 | 3 | COc1cc | 3 | Cn1nc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | n1n |
<|startoftext|><L>CCOc1ccc(C(=O)Oc2ccc(C(=O)c3<mask_1:6>cc3)cc2)cc1<mask_1:6> | 3 | 28 | 6 | ccc | 6 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | ccc(C) |
<|startoftext|><L>CCOc1ccc(C(=O)Oc2ccc(C(=O)c3c<mask_1:5>cc3)cc2)cc1<mask_1:5> | 2 | 29 | 5 | cc | 5 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | cc(C) |
<|startoftext|><L>C<mask_1:4>1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1<mask_1:4> | 3 | 1 | 4 | COc | 4 | CCCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | CCOc |
<|startoftext|><L>CCOc1ccc(C(=O)Oc2ccc(<mask_1:5>=O)c3ccccc3)cc2)cc1<mask_1:5> | 2 | 21 | 5 | C( | 5 | CCOc1ccc(C(=O)Oc2ccc([S@](=O)c3ccccc3)cc2)cc1 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | [S@]( |
<|startoftext|><L>CCOc1ccc(C(=O)Oc2ccc(C(=O)c3c<mask_1:6>c3)cc2)cc1<mask_1:6> | 3 | 29 | 6 | ccc | 6 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | cc(C)c |
<|startoftext|><L><mask_1:4>COc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1<mask_1:4> | 1 | 0 | 4 | C | 4 | CCCCCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | CCCC |
<|startoftext|><L>CCOc1c<mask_1:4>cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1<mask_1:4> | 0 | 6 | 4 | 4 | CCOc1c(OC)cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | (OC) |
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<|startoftext|><L>CCOc1ccc(C(=O)Oc2<mask_1:4>cc(C(=O)c3ccccc3)cc2)cc1<mask_1:4> | 1 | 17 | 4 | c | 4 | CCOc1ccc(C(=O)Oc2c(C)cc(C(=O)c3ccccc3)cc2)cc1 | CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 | c(C) |
<|startoftext|><L>C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)N<mask_1:6>Cc2ccccc2)cc1<mask_1:6> | 7 | 42 | 6 | c1ccc(O | 6 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(Cc2ccccc2)cc1 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | c1ccc( |
<|startoftext|><L>C[C@@H](OC(=O)Cn1nc(-<mask_1:7>)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1<mask_1:7> | 8 | 21 | 7 | c2ccccc2 | 7 | C[C@@H](OC(=O)Cn1nc(-c2cccs2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | c2cccs2 |
<|startoftext|><L>C[C@@H](<mask_1:1>(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1<mask_1:1> | 2 | 8 | 1 | OC | 1 | C[C@@H](C(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | C |
<|startoftext|><L>C[C@@H](OC(=O)Cn1nc(-<mask_1:7>oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1<mask_1:7> | 9 | 21 | 7 | c2ccccc2) | 8 | C[C@@H](OC(=O)Cn1nc(-c2cccs2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | c2cccs2) |
<|startoftext|><L>C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OC<mask_1:8>ccccc2)cc1<mask_1:8> | 2 | 50 | 8 | c2 | 8 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCC(=O)Nc2ccccc2)cc1 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | C(=O)Nc2 |
<|startoftext|><L><mask_1:2>C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1<mask_1:2> | 0 | 0 | 2 | 2 | COC[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | CO |
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<|startoftext|><L>C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O<mask_1:9>ccc(OCc2ccccc2)cc1<mask_1:9> | 4 | 40 | 9 | )Nc1 | 9 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)N(C)CCc1ccc(OCc2ccccc2)cc1 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | )N(C)CCc1 |
<|startoftext|><L>C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2<mask_1:8>c1<mask_1:8> | 2 | 58 | 8 | )c | 9 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)c(C(F)F)c1 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | )c(C(F)F) |
<|startoftext|><L>C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc<mask_1:3>Nc1ccc(OCc2ccccc2)cc1<mask_1:3> | 9 | 32 | 3 | 1=O)C(=O) | 4 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(OCc2ccccc2)cc1 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 1=O) |
<|startoftext|><L>C<mask_1:3>C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1<mask_1:3> | 1 | 1 | 3 | [ | 3 | CCC[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 | CC[ |