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stringlengths 49
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| first_mask_count
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| first_mask_gen_count
int64 1
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stringlengths 0
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| first_mask_gen_count_real
int64 0
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| generated_smiles
stringlengths 12
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| original_smiles
stringlengths 12
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<|startoftext|><L>COc1ccc(/C<mask_1:1>c2ncnc3[nH]cnc23)c(OC)c1<mask_1:1> | 4 | 10 | 1 | =N/N | 1 | COc1ccc(/CNc2ncnc3[nH]cnc23)c(OC)c1 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | N |
<|startoftext|><L>COc1ccc(/C=N<mask_1:5>Nc2ncnc3[nH]cnc23)c(OC)c1<mask_1:5> | 1 | 12 | 5 | / | 5 | COc1ccc(/C=N/NCCCNc2ncnc3[nH]cnc23)c(OC)c1 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | /NCCC |
<|startoftext|><L>COc1ccc(/C=N/Nc2ncnc3[nH]c<mask_1:5>)c(OC)c1<mask_1:5> | 4 | 26 | 5 | nc23 | 4 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | nc23 |
<|startoftext|><L>COc1ccc(/C=N/Nc2ncn<mask_1:4>]cnc23)c(OC)c1<mask_1:4> | 5 | 19 | 4 | c3[nH | 5 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | c3[nH |
<|startoftext|><L>COc1ccc(/<mask_1:5>N/Nc2ncnc3[nH]cnc23)c(OC)c1<mask_1:5> | 2 | 9 | 5 | C= | 5 | COc1ccc(/C(C)=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | C(C)= |
<|startoftext|><L>COc1ccc(<mask_1:4>C=N/Nc2ncnc3[nH]cnc23)c(OC)c1<mask_1:4> | 1 | 8 | 4 | / | 4 | COc1ccc(C=C/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | C=C/ |
<|startoftext|><L>COc1ccc(/C<mask_1:2>2ncnc3[nH]cnc23)c(OC)c1<mask_1:2> | 5 | 10 | 2 | =N/Nc | 2 | COc1ccc(/CNc2ncnc3[nH]cnc23)c(OC)c1 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | Nc |
<|startoftext|><L>COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(<mask_1:3>OC)c1<mask_1:3> | 0 | 33 | 3 | 3 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OCCOC)c1 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | OCC |
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<|startoftext|><L>COc1ccc(<mask_1:5>=N/Nc2ncnc3[nH]cnc23)c(OC)c1<mask_1:5> | 2 | 8 | 5 | /C | 5 | COc1ccc(/C(C)=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | /C(C) |
<|startoftext|><L>COc1ccc(/C=N/Nc2ncnc3[nH]c<mask_1:4>nc23)c(OC)c1<mask_1:4> | 0 | 26 | 4 | 4 | COc1ccc(/C=N/Nc2ncnc3[nH]c(Br)nc23)c(OC)c1 | COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)c(OC)c1 | (Br) |
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<|startoftext|><L>Cc1nc([C@@H]2<mask_1:3>(C(=O)C3=COCCC3)C2)no1<mask_1:3> | 4 | 13 | 3 | CCCN | 3 | Cc1nc([C@@H]2CCN(C(=O)C3=COCCC3)C2)no1 | Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | CCN |
<|startoftext|><L>Cc1nc(<mask_1:5>[C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1<mask_1:5> | 0 | 6 | 5 | 5 | Cc1nc(CN(C)[C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | CN(C) |
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<|startoftext|><L>Cc1nc([C@@H]2CC<mask_1:2>N(C(=O)C3=COCCC3)C2)no1<mask_1:2> | 1 | 15 | 2 | C | 2 | Cc1nc([C@@H]2CCCCN(C(=O)C3=COCCC3)C2)no1 | Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | CC |
<|startoftext|><L>Cc1nc([C@@H]2C<mask_1:5>C(=O)C3=COCCC3)C2)no1<mask_1:5> | 4 | 14 | 5 | CCN( | 5 | Cc1nc([C@@H]2CCCN(CC(=O)C3=COCCC3)C2)no1 | Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | CCN(C |
<|startoftext|><L>Cc1nc([<mask_1:1>]2CCCN(C(=O)C3=COCCC3)C2)no1<mask_1:1> | 4 | 7 | 1 | C@@H | 1 | Cc1nc([C]2CCCN(C(=O)C3=COCCC3)C2)no1 | Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | C |
<|startoftext|><L>Cc1nc(<mask_1:3>[C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1<mask_1:3> | 0 | 6 | 3 | 3 | Cc1nc(COC[C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | COC |
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<|startoftext|><L>Cc1nc([C@@H]2CCCN(C(=O)C3=<mask_1:3>CCC3)C2)no1<mask_1:3> | 2 | 26 | 3 | CO | 3 | Cc1nc([C@@H]2CCCN(C(=O)C3=CCCCCC3)C2)no1 | Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | CCC |
<|startoftext|><L>Cc1nc([C@@H]2CCCN(C(=O)C3=CO<mask_1:5>CC3)C2)no1<mask_1:5> | 1 | 28 | 5 | C | 5 | Cc1nc([C@@H]2CCCN(C(=O)C3=COC(=O)CC3)C2)no1 | Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | C(=O) |
<|startoftext|><L>Cc1nc([C@@H]2CCCN(C(=O)C<mask_1:2>=COCCC3)C2)no1<mask_1:2> | 1 | 24 | 2 | 3 | 2 | Cc1nc([C@@H]2CCCN(C(=O)CC3=COCCC3)C2)no1 | Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | C3 |
<|startoftext|><L>Cc1<mask_1:4>[C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1<mask_1:4> | 3 | 3 | 4 | nc( | 4 | Cc1nc(C[C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 | nc(C |
<|startoftext|><L>O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccc<mask_1:4>c23)C1<mask_1:4> | 1 | 39 | 4 | c | 4 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3cccc(F)c23)C1 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | c(F) |
<|startoftext|><L>O=C(Cn1cccn1)N[C@H]1CC(=O)N<mask_1:6>2cccc3ccccc23)C1<mask_1:6> | 3 | 27 | 6 | (Cc | 6 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(CCCOc2cccc3ccccc23)C1 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | (CCCOc |
<|startoftext|><L>O=C(Cn1cccn1)N[C@H]1C<mask_1:1>O)N(Cc2cccc3ccccc23)C1<mask_1:1> | 3 | 21 | 1 | C(= | 1 | O=C(Cn1cccn1)N[C@H]1C(O)N(Cc2cccc3ccccc23)C1 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | ( |
<|startoftext|><L>O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3<mask_1:5>cccc23)C1<mask_1:5> | 1 | 36 | 5 | c | 5 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3c(Cl)cccc23)C1 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | c(Cl) |
<|startoftext|><L>O=C(Cn1cccn1)<mask_1:6>@H]1CC(=O)N(Cc2cccc3ccccc23)C1<mask_1:6> | 3 | 13 | 6 | N[C | 6 | O=C(Cn1cccn1)NCC[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | NCC[C@ |
<|startoftext|><L>O=C(Cn1cccn1)N[C@H]1CC<mask_1:1>O)N(Cc2cccc3ccccc23)C1<mask_1:1> | 2 | 22 | 1 | (= | 1 | O=C(Cn1cccn1)N[C@H]1CC(O)N(Cc2cccc3ccccc23)C1 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | ( |
<|startoftext|><L>O=C(Cn1cccn1)N[C@H]1<mask_1:1>CC(=O)N(Cc2cccc3ccccc23)C1<mask_1:1> | 0 | 20 | 1 | 1 | O=C(Cn1cccn1)N[C@H]1CCC(=O)N(Cc2cccc3ccccc23)C1 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | C |
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<|startoftext|><L>O=C(Cn1cccn1)N[C@H]1CC(=O)N<mask_1:6>cccc3ccccc23)C1<mask_1:6> | 4 | 27 | 6 | (Cc2 | 6 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(CCOc2cccc3ccccc23)C1 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | (CCOc2 |
<|startoftext|><L>O=C(Cn1cccn1)N[C@H]1CC(=O)<mask_1:5>ccc3ccccc23)C1<mask_1:5> | 6 | 26 | 5 | N(Cc2c | 5 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(c2cccc3ccccc23)C1 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | N(c2c |
<|startoftext|><L>O=C(Cn1cccn1)N[C@H]1CC(=O)N<mask_1:4>Cc2cccc3ccccc23)C1<mask_1:4> | 1 | 27 | 4 | ( | 4 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(CCOCc2cccc3ccccc23)C1 | O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 | (CCO |
<|startoftext|><L>CO<mask_1:2>c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C<mask_1:2> | 4 | 2 | 2 | CCn1 | 2 | COn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | n1 |
<|startoftext|><L>COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(<mask_1:8>c1ccc(F)cc1)c(=O)n2C<mask_1:8> | 6 | 31 | 8 | =O)n(C | 8 | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CCCc1ccc(F)cc1)c(=O)n2C | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | =O)n(CCC |
<|startoftext|><L>COCCn1c(-n2nc(C)c(<mask_1:8>nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C<mask_1:8> | 6 | 18 | 8 | C)c2C) | 8 | COCCn1c(-n2nc(C)c(C)c2C#N)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | C)c2C#N) |
<|startoftext|><L>COCCn1c(-n2nc(C)c<mask_1:8>)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C<mask_1:8> | 6 | 17 | 8 | (C)c2C | 8 | COCCn1c(-n2nc(C)c(C)c2C#N)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | (C)c2C#N |
<|startoftext|><L>CO<mask_1:8>CCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C<mask_1:8> | 0 | 2 | 8 | 8 | COCCNC(=O)CCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | CCNC(=O) |
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<|startoftext|><L>COCCn1c(-n2nc(C)<mask_1:5>C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C<mask_1:5> | 6 | 16 | 5 | c(C)c2 | 5 | COCCn1c(-n2nc(C)cc2COC)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | cc2CO |
<|startoftext|><L>COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O<mask_1:7>1ccc(F)cc1)c(=O)n2C<mask_1:7> | 5 | 33 | 7 | )n(Cc | 7 | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CCCc1ccc(F)cc1)c(=O)n2C | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | )n(CCCc |
<|startoftext|><L>COCC<mask_1:3>c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C<mask_1:3> | 2 | 4 | 3 | n1 | 3 | COCCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | Cn1 |
<|startoftext|><L>COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O<mask_1:6>C<mask_1:6> | 3 | 53 | 6 | )n2 | 6 | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CCOC | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | )n2CCO |
<|startoftext|><L><mask_1:3>COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C<mask_1:3> | 0 | 0 | 3 | 3 | COCCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C | COC |
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<|startoftext|><L>C[C@@H](NC(=O)<mask_1:3>(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1<mask_1:3> | 5 | 14 | 3 | CC(C) | 3 | C[C@@H](NC(=O)COC(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | COC |
<|startoftext|><L>C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O<mask_1:5>ccccn2)CC1<mask_1:5> | 6 | 34 | 5 | )CCCc2 | 5 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCc2ccccn2)CC1 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | )CCc2 |
<|startoftext|><L>C[C@@H](NC(=O)<mask_1:1>(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1<mask_1:1> | 2 | 14 | 1 | CC | 1 | C[C@@H](NC(=O)C(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | C |
<|startoftext|><L>C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2cc<mask_1:6>n2)CC1<mask_1:6> | 2 | 42 | 6 | cc | 6 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccc(Cl)cn2)CC1 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | c(Cl)c |
<|startoftext|><L>C[C@@H](NC(=O)CC(C)(F)F)C1CC<mask_1:5>C(=O)CCCc2ccccn2)CC1<mask_1:5> | 2 | 28 | 5 | N( | 5 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(CCNC(=O)CCCc2ccccn2)CC1 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | N(CCN |
<|startoftext|><L>C[C@@H](NC(=O)CC(C)(F)F)<mask_1:4>(C(=O)CCCc2ccccn2)CC1<mask_1:4> | 5 | 24 | 4 | C1CCN | 4 | C[C@@H](NC(=O)CC(C)(F)F)C1CN(C(=O)CCCc2ccccn2)CC1 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | C1CN |
<|startoftext|><L>C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CC<mask_1:6>cccn2)CC1<mask_1:6> | 4 | 37 | 6 | Cc2c | 6 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCc2c(O)cccn2)CC1 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | c2c(O) |
<|startoftext|><L>C[C@@H](NC(=O)CC(C)(F)F)C1C<mask_1:4>O)CCCc2ccccn2)CC1<mask_1:4> | 6 | 27 | 4 | CN(C(= | 4 | C[C@@H](NC(=O)CC(C)(F)F)C1CN(C(O)CCCc2ccccn2)CC1 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | N(C( |
<|startoftext|><L>C[C@@H](<mask_1:6>O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1<mask_1:6> | 4 | 8 | 6 | NC(= | 6 | C[C@@H](CCNC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | CCNC(= |
<|startoftext|><L>C[C@@H](NC(=O)CC(C)(F)F<mask_1:7>)C1CCN(C(=O)CCCc2ccccn2)CC1<mask_1:7> | 0 | 23 | 7 | 7 | C[C@@H](NC(=O)CC(C)(F)F)CNC(=O)C1CCN(C(=O)CCCc2ccccn2)CC1 | C[C@@H](NC(=O)CC(C)(F)F)C1CCN(C(=O)CCCc2ccccn2)CC1 | )CNC(=O |
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<|startoftext|><L>O=C(NC[C@H]<mask_1:4>CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]<mask_1:4> | 2 | 11 | 4 | 1C | 4 | O=C(NC[C@H]1CN=CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | 1CN= |
<|startoftext|><L>O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc<mask_1:6>O)[O-]<mask_1:6> | 7 | 42 | 6 | 1[N+](= | 7 | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | 1[N+](= |
<|startoftext|><L>O=C(NC[C@H]1CCCC<mask_1:4>)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]<mask_1:4> | 8 | 16 | 4 | [C@@H]1O | 4 | O=C(NC[C@H]1CCCCN1CO)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | N1CO |
<|startoftext|><L>O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+]<mask_1:5>(=O)[O-]<mask_1:5> | 0 | 47 | 5 | 5 | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)C(=O)[O-] | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | (=O)C |
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<|startoftext|><L>O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)<mask_1:6>N+](=O)[O-]<mask_1:6> | 4 | 40 | 6 | cc1[ | 6 | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1C/[N+](=O)[O-] | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | cc1C/[ |
<|startoftext|><L>O=<mask_1:8>@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]<mask_1:8> | 6 | 2 | 8 | C(NC[C | 8 | O=C(NCC[C@@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | C(NCC[C@ |
<|startoftext|><L>O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F<mask_1:7>)F)cc1[N+](=O)[O-]<mask_1:7> | 0 | 37 | 7 | 7 | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | )C(F)(F |
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<|startoftext|><L>O=C(<mask_1:3>1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]<mask_1:3> | 7 | 4 | 3 | NC[C@H] | 3 | O=C(NCC1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | NCC |
<|startoftext|><L>O=C(N<mask_1:8>C[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]<mask_1:8> | 0 | 5 | 8 | 8 | O=C(NCC(=O)NCC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | CC(=O)NC |
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<|startoftext|><L>O=C(NC[C@H]1<mask_1:5>CC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]<mask_1:5> | 2 | 12 | 5 | CC | 5 | O=C(NC[C@H]1CC=CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | CC=CC |
<|startoftext|><L>O=C(O)c1nnn2c1C<mask_1:4>O[C@H](c1ccc(Cl)cc1)C2<mask_1:4> | 0 | 15 | 4 | 4 | O=C(O)c1nnn2c1C(=O)O[C@H](c1ccc(Cl)cc1)C2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | (=O) |
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<|startoftext|><L>O=C(O<mask_1:5>c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2<mask_1:5> | 1 | 5 | 5 | ) | 5 | O=C(O)CCCOc1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | )CCCO |
<|startoftext|><L>O=C(O)c1<mask_1:5>nnn2c1CO[C@H](c1ccc(Cl)cc1)C2<mask_1:5> | 0 | 8 | 5 | 5 | O=C(O)c1cc(O)nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | cc(O) |
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<|startoftext|><L>O=C(O)<mask_1:2>1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2<mask_1:2> | 1 | 6 | 2 | c | 2 | O=C(O)Cc1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | Cc |
<|startoftext|><L>O=C(O)c1nnn2c1CO[C@<mask_1:1>H](c1ccc(Cl)cc1)C2<mask_1:1> | 0 | 19 | 1 | 1 | O=C(O)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | @ |
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<|startoftext|><L>O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1<mask_1:3>C2<mask_1:3> | 1 | 34 | 3 | ) | 3 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C=C2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | )C= |
<|startoftext|><L><mask_1:5>O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2<mask_1:5> | 4 | 0 | 5 | O=C( | 5 | COC(=O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | COC(= |
<|startoftext|><L>O=C(O)c1nnn2c1CO[C@H](<mask_1:2>(Cl)cc1)C2<mask_1:2> | 5 | 22 | 2 | c1ccc | 2 | O=C(O)c1nnn2c1CO[C@H](c1(Cl)cc1)C2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | c1 |
<|startoftext|><L>O=C(O)c1nnn2c1CO[C@H](c1ccc(<mask_1:4>cc1)C2<mask_1:4> | 3 | 28 | 4 | Cl) | 4 | O=C(O)c1nnn2c1CO[C@H](c1ccc(C=O)cc1)C2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | C=O) |
<|startoftext|><L>O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1<mask_1:2>C2<mask_1:2> | 1 | 34 | 2 | ) | 2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)CC2 | O=C(O)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 | )C |
<|startoftext|><L>Cc1cc(NC<mask_1:7>(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1<mask_1:7> | 0 | 8 | 7 | 7 | Cc1cc(NC(=O)COC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | (=O)COC |
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<|startoftext|><L>Cc1<mask_1:8>O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1<mask_1:8> | 7 | 3 | 8 | cc(NC(= | 8 | Cc1cc(CNC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | cc(CNC(= |
<|startoftext|><L>C<mask_1:5>C(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1<mask_1:5> | 6 | 1 | 5 | c1cc(N | 5 | Cc1cc(C(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | c1cc( |
<|startoftext|><L>Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(<mask_1:6>)F)cc3)c2=O)no1<mask_1:6> | 1 | 38 | 6 | F | 6 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)OC(F)F)cc3)c2=O)no1 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | F)OC(F |
<|startoftext|><L>Cc1cc(N<mask_1:8>2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1<mask_1:8> | 7 | 7 | 8 | C(=O)Cn | 8 | Cc1cc(NC(=O)CCn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | C(=O)CCn |
<|startoftext|><L>Cc1cc(NC(=O)Cn2cnc3c(nn<mask_1:5>(OC(F)(F)F)cc3)c2=O)no1<mask_1:5> | 8 | 23 | 5 | n3-c3ccc | 5 | Cc1cc(NC(=O)Cn2cnc3c(nnn3c3c(OC(F)(F)F)cc3)c2=O)no1 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | n3c3c |
<|startoftext|><L><mask_1:4>Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1<mask_1:4> | 0 | 0 | 4 | 4 | CCCCCc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | CCCC |
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<|startoftext|><L>Cc1cc(NC(=O)Cn2cnc3c(nnn3-<mask_1:8>C(F)(F)F)cc3)c2=O)no1<mask_1:8> | 7 | 26 | 8 | c3ccc(O | 8 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OCC(F)(F)F)cc3)c2=O)no1 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | c3ccc(OC |
<|startoftext|><L><mask_1:6>(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1<mask_1:6> | 5 | 0 | 6 | Cc1cc | 6 | CCc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | CCc1cc |
<|startoftext|><L>Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3c<mask_1:3>C(F)(F)F)cc3)c2=O)no1<mask_1:3> | 4 | 29 | 3 | cc(O | 3 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(C(F)(F)F)cc3)c2=O)no1 | Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 | cc( |
<|startoftext|><L>Cc1n[nH]<mask_1:5>(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1<mask_1:5> | 7 | 8 | 5 | c(C)c1C | 5 | Cc1n[nH]cc1NC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | cc1NC |
<|startoftext|><L>Cc<mask_1:6>)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1<mask_1:6> | 9 | 2 | 6 | 1n[nH]c(C | 6 | Cc1noc(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | 1noc(C |
<|startoftext|><L>Cc1n[nH]c(C<mask_1:5>O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1<mask_1:5> | 6 | 11 | 5 | )c1C(= | 5 | Cc1n[nH]c(C)c1C(O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | )c1C( |
<|startoftext|><L>Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H<mask_1:9>cc(C(C)C)cc1<mask_1:9> | 5 | 47 | 9 | ]1c1c | 9 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1c(Cl)cc(C(C)C)cc1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | ]1c1c(Cl) |
<|startoftext|><L>Cc1n[nH]c(C)c1C(=<mask_1:8>C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1<mask_1:8> | 9 | 17 | 8 | O)C1=C(O) | 9 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | O)C1=C(O) |
<|startoftext|><L>Cc1n[nH]c(C)c1C(=O)C1<mask_1:6>(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1<mask_1:6> | 2 | 21 | 6 | =C | 6 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | =C(O)C |
<|startoftext|><L>Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)<mask_1:1>[C@H]1c1ccc(C(C)C)cc1<mask_1:1> | 0 | 43 | 1 | 1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)C[C@H]1c1ccc(C(C)C)cc1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | C |
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<|startoftext|><L>Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(<mask_1:9>1<mask_1:9> | 8 | 55 | 9 | C(C)C)cc | 9 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)(C)C)1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | C(C)(C)C) |
<|startoftext|><L>Cc1n[nH]c(C)c1C(=O<mask_1:3>(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1<mask_1:3> | 5 | 18 | 3 | )C1=C | 3 | Cc1n[nH]c(C)c1C(=O)C1(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | )C1 |
<|startoftext|><L>Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(<mask_1:2>1<mask_1:2> | 8 | 55 | 2 | C(C)C)cc | 2 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C)1 | Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 | C) |
<|startoftext|><L>C[C@@H](CCc1cccn1C<mask_1:4>Nc1cnn(C)c(=O)c1Cl<mask_1:4> | 1 | 18 | 4 | ) | 4 | C[C@@H](CCc1cccn1C)NCCNc1cnn(C)c(=O)c1Cl | C[C@@H](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | )NCC |
<|startoftext|><L>C[C@@H](CCc1cccn1C)Nc1cnn(C<mask_1:4>(=O)c1Cl<mask_1:4> | 2 | 27 | 4 | )c | 4 | C[C@@H](CCc1cccn1C)Nc1cnn(CCN)c(=O)c1Cl | C[C@@H](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | CN)c |
<|startoftext|><L>C[C@@H](CCc1cccn1C)Nc1cnn(C<mask_1:1>)c(=O)c1Cl<mask_1:1> | 0 | 27 | 1 | 1 | C[C@@H](CCc1cccn1C)Nc1cnn(Cl)c(=O)c1Cl | C[C@@H](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | l |
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<|startoftext|><L>C[C@@H]<mask_1:2>CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl<mask_1:2> | 1 | 7 | 2 | ( | 2 | C[C@@H](CCCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | C[C@@H](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | (C |
<|startoftext|><L>C[C@@H](CCc1cccn1C)Nc1cnn(<mask_1:5>)c(=O)c1Cl<mask_1:5> | 1 | 26 | 5 | C | 5 | C[C@@H](CCc1cccn1C)Nc1cnn(C(F)F)c(=O)c1Cl | C[C@@H](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | C(F)F |
<|startoftext|><L>C[C<mask_1:2>(CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl<mask_1:2> | 4 | 3 | 2 | @@H] | 2 | C[CH](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | C[C@@H](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | H] |
<|startoftext|><L>C[C@@H](<mask_1:4>ccn1C)Nc1cnn(C)c(=O)c1Cl<mask_1:4> | 5 | 8 | 4 | CCc1c | 4 | C[C@@H](Cc1nccn1C)Nc1cnn(C)c(=O)c1Cl | C[C@@H](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | Cc1n |
<|startoftext|><L>C[C@@H](CCc1cccn1C)Nc1c<mask_1:2>c(=O)c1Cl<mask_1:2> | 5 | 23 | 2 | nn(C) | 2 | C[C@@H](CCc1cccn1C)Nc1ccoc(=O)c1Cl | C[C@@H](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | co |
<|startoftext|><L>C[C@<mask_1:1>(CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl<mask_1:1> | 3 | 4 | 1 | @H] | 1 | C[C@](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | C[C@@H](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | ] |
<|startoftext|><L>C[C@@H](<mask_1:1>1cccn1C)Nc1cnn(C)c(=O)c1Cl<mask_1:1> | 3 | 8 | 1 | CCc | 1 | C[C@@H](c1cccn1C)Nc1cnn(C)c(=O)c1Cl | C[C@@H](CCc1cccn1C)Nc1cnn(C)c(=O)c1Cl | c |