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stringlengths 49
215
| first_mask_count
int64 0
16
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156
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int64 1
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stringlengths 12
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| original_smiles
stringlengths 12
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stringlengths 0
18
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<|startoftext|><L><mask_1:5>CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2<mask_1:5> | 8 | 0 | 5 | C[C@@H]1 | 5 | O=C1NCCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | O=C1N |
<|startoftext|><L>C[C@@H]1CCCC[C@H]1NC(=O)/<mask_1:4>C=C/c1cc([N+](=O)[O-])cc2c1OCOC2<mask_1:4> | 0 | 25 | 4 | 4 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C=C/ |
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<|startoftext|><L>C[C<mask_1:3>CCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2<mask_1:3> | 6 | 3 | 3 | @@H]1C | 3 | C[CH]1CCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | H]1 |
<|startoftext|><L>C[C@@H]1CCCC<mask_1:7>NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2<mask_1:7> | 6 | 12 | 7 | [C@H]1 | 7 | C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | [C@@H]1 |
<|startoftext|><L>C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-<mask_1:5>2c1OCOC2<mask_1:5> | 4 | 45 | 5 | ])cc | 4 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | ])cc |
<|startoftext|><L>C[C@@H]1CCCC[C@H]1NC(=O<mask_1:5>C=C/c1cc([N+](=O)[O-])cc2c1OCOC2<mask_1:5> | 2 | 23 | 5 | )/ | 5 | C[C@@H]1CCCC[C@H]1NC(=O)CO/NC=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | )CO/N |
<|startoftext|><L>C[C@@H]1CC<mask_1:5>C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2<mask_1:5> | 3 | 10 | 5 | CC[ | 5 | C[C@@H]1CCCCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | CCCC[ |
<|startoftext|><L>C[C@@H]1CC<mask_1:4>H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2<mask_1:4> | 5 | 10 | 4 | CC[C@ | 4 | C[C@@H]1CCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@ |
<|startoftext|><L>C[C@@H]1CCCC[C@H]1NC(=O)<mask_1:4>/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2<mask_1:4> | 0 | 24 | 4 | 4 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | /C=C |
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<|startoftext|><L>C[C@@H]1CCCC[<mask_1:5>1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2<mask_1:5> | 4 | 13 | 5 | C@H] | 5 | C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 | C@@H] |
<|startoftext|><L>CC<mask_1:7>N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1<mask_1:7> | 4 | 2 | 7 | (=O) | 7 | CCOCC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | OCC(=O) |
<|startoftext|><L>CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2c<mask_1:3>cccc2O3)CC1<mask_1:3> | 0 | 46 | 3 | 3 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2c(O)cccc2O3)CC1 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | (O) |
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<|startoftext|><L>CC(=O)N1CCC(N2C[C@@H]3C<mask_1:5>(=O)N(CC2CC2)c2ccccc2O3)CC1<mask_1:5> | 7 | 23 | 5 | [C@H]2C | 5 | CC(=O)N1CCC(N2C[C@@H]3CCCN2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | CCN2C |
<|startoftext|><L>CC(=O)N1CCC(N2C[C@<mask_1:4>C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1<mask_1:4> | 6 | 18 | 4 | @H]3C[ | 4 | CC(=O)N1CCC(N2C[C@H]3[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | H]3[ |
<|startoftext|><L>CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C<mask_1:5>N(CC2CC2)c2ccccc2O3)CC1<mask_1:5> | 4 | 30 | 5 | (=O) | 5 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2CC(=O)N(CC2CC2)c2ccccc2O3)CC1 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | C(=O) |
<|startoftext|><L>CC(=O)N1C<mask_1:6>(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1<mask_1:6> | 2 | 9 | 6 | CC | 6 | CC(=O)N1CCC[C@](N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | CC[C@] |
<|startoftext|><L>CC(=O)N1CCC(N2C[C@@H]3C[C@H]2<mask_1:4>CC2CC2)c2ccccc2O3)CC1<mask_1:4> | 7 | 29 | 4 | C(=O)N( | 4 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2CN(CCC2CC2)c2ccccc2O3)CC1 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | CN(C |
<|startoftext|><L>CC(=O)N1CCC(N2C[C<mask_1:1>3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1<mask_1:1> | 4 | 17 | 1 | @@H] | 1 | CC(=O)N1CCC(N2C[C]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | ] |
<|startoftext|><L>CC(=O)N1CCC(N2C[C@<mask_1:7>C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1<mask_1:7> | 6 | 18 | 7 | @H]3C[ | 7 | CC(=O)N1CCC(N2C[C@@H]3CC[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | @H]3CC[ |
<|startoftext|><L>CC(=O)N1CCC(N2C[C@@H]3C<mask_1:6>@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1<mask_1:6> | 2 | 23 | 6 | [C | 6 | CC(=O)N1CCC(N2C[C@@H]3CC=C[C@@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 | C=C[C@ |
<|startoftext|><L>Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@<mask_1:7>23)[C@@H]1C(=O)O<mask_1:7> | 9 | 45 | 7 | H]3C[C@H] | 6 | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C=C23)[C@@H]1C(=O)O | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | H]3C=C |
<|startoftext|><L>Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3<mask_1:2>23)[C@@H]1C(=O)O<mask_1:2> | 6 | 48 | 2 | C[C@H] | 2 | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3CC23)[C@@H]1C(=O)O | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | CC |
<|startoftext|><L>Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@<mask_1:4>]1C(=O)O<mask_1:4> | 1 | 61 | 4 | H | 4 | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H][C]1C(=O)O | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | H][C |
<|startoftext|><L>Cc1c(Cl)cccc<mask_1:10>(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O<mask_1:10> | 3 | 12 | 10 | 1NC | 10 | Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | 1NC(=O)COC |
<|startoftext|><L>Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1<mask_1:6>O<mask_1:6> | 5 | 64 | 6 | C(=O) | 6 | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)OO | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | C(=O)O |
<|startoftext|><L>Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C<mask_1:8>]3C[C@H]23)[C@@H]1C(=O)O<mask_1:8> | 10 | 36 | 8 | [C@H]([C@H | 8 | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C]3C[C@H]23)[C@@H]1C(=O)O | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | [C@H]([C |
<|startoftext|><L>Cc1c(Cl)cccc1NC(<mask_1:4>[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O<mask_1:4> | 3 | 16 | 4 | =O) | 4 | Cc1c(Cl)cccc1NC(=O)N[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | =O)N |
<|startoftext|><L>C<mask_1:5>1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O<mask_1:5> | 1 | 1 | 5 | c | 5 | C=CCOc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | =CCOc |
<|startoftext|><L>Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H<mask_1:10>)[C@@H]1C(=O)O<mask_1:10> | 3 | 53 | 10 | ]23 | 11 | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H](C)[C@@H]1C(=O)O | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | ]23)[C@H](C |
<|startoftext|><L>Cc1c(Cl)cccc1<mask_1:4>C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O<mask_1:4> | 7 | 13 | 4 | NC(=O)[ | 4 | Cc1c(Cl)cccc1NCC[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O | NCC[ |
<|startoftext|><L>CC(C)N1CC<mask_1:5>[C@H](O)[C@@H]1Cc1ccccc1<mask_1:5> | 1 | 9 | 5 | C | 5 | CC(C)N1CC(=O)C[C@H](O)[C@@H]1Cc1ccccc1 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 | (=O)C |
<|startoftext|><L>CC<mask_1:3>1CCC[C@H](O)[C@@H]1Cc1ccccc1<mask_1:3> | 4 | 2 | 3 | (C)N | 3 | CCCCN1CCC[C@H](O)[C@@H]1Cc1ccccc1 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 | CCN |
<|startoftext|><L>CC<mask_1:3>1CCC[C@H](O)[C@@H]1Cc1ccccc1<mask_1:3> | 4 | 2 | 3 | (C)N | 3 | CCCCN1CCC[C@H](O)[C@@H]1Cc1ccccc1 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 | CCN |
<|startoftext|><L>CC(C)N1CCC[C@H](O<mask_1:5>C@@H]1Cc1ccccc1<mask_1:5> | 2 | 17 | 5 | )[ | 5 | CC(C)N1CCC[C@H](OCCN)[C@@H]1Cc1ccccc1 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 | CCN)[ |
<|startoftext|><L>CC(C)N1CCC[C@H](O)[C@@H]1Cc1cc<mask_1:5>cc1<mask_1:5> | 1 | 30 | 5 | c | 5 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccc(Br)cc1 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 | c(Br) |
<|startoftext|><L>CC(C)N1CCC[C@H](O)[C@@H]1Cc1c<mask_1:5>c1<mask_1:5> | 3 | 29 | 5 | ccc | 5 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1cnn(C)c1 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 | nn(C) |
<|startoftext|><L>CC(C)N1<mask_1:5>C@H](O)[C@@H]1Cc1ccccc1<mask_1:5> | 4 | 7 | 5 | CCC[ | 5 | CC(C)N1CCOC[C@H](O)[C@@H]1Cc1ccccc1 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 | CCOC[ |
<|startoftext|><L>CC(C)N1<mask_1:5>CC[C@H](O)[C@@H]1Cc1ccccc1<mask_1:5> | 1 | 7 | 5 | C | 5 | CC(C)N1C(=O)CC[C@H](O)[C@@H]1Cc1ccccc1 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 | C(=O) |
<|startoftext|><L>CC(C)N1CCC[<mask_1:4>](O)[C@@H]1Cc1ccccc1<mask_1:4> | 3 | 11 | 4 | C@H | 4 | CC(C)N1CCC[C@@H](O)[C@@H]1Cc1ccccc1 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 | C@@H |
<|startoftext|><L>CC(C)N1CCC[C@H](O)[C@@H]1<mask_1:4>c1ccccc1<mask_1:4> | 1 | 25 | 4 | C | 4 | CC(C)N1CCC[C@H](O)[C@@H]1CCCOc1ccccc1 | CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 | CCCO |
<|startoftext|><L>CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CC<mask_1:6>C2)C1<mask_1:6> | 2 | 36 | 6 | O) | 6 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CC3CC3)CC2)C1 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | 3CC3)C |
<|startoftext|><L>CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C<mask_1:3>)C1<mask_1:3> | 1 | 39 | 3 | 2 | 3 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2=O)C1 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | 2=O |
<|startoftext|><L>CC(C)n1ccnc1CN1CCC[C@@<mask_1:3>CC(=O)N(CCO)C2)C1<mask_1:3> | 4 | 22 | 3 | ]2(C | 3 | CC(C)n1ccnc1CN1CCC[C@@]2(CC(=O)N(CCO)C2)C1 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | ]2( |
<|startoftext|><L>CC(C)n1ccnc1<mask_1:4>N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1<mask_1:4> | 1 | 12 | 4 | C | 4 | CC(C)n1ccnc1CNCCN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | CNCC |
<|startoftext|><L>CC(C)n1ccnc1CN1CCC<mask_1:5>]2(CCC(=O)N(CCO)C2)C1<mask_1:5> | 4 | 18 | 5 | [C@@ | 5 | CC(C)n1ccnc1CN1CCCC[C@@]2(CCC(=O)N(CCO)C2)C1 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | C[C@@ |
<|startoftext|><L>CC(C)n1ccnc1CN1CCC<mask_1:2>]2(CCC(=O)N(CCO)C2)C1<mask_1:2> | 4 | 18 | 2 | [C@@ | 2 | CC(C)n1ccnc1CN1CCC[C]2(CCC(=O)N(CCO)C2)C1 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | [C |
<|startoftext|><L>CC(C)n1ccnc1CN1CCC[C@@]2(CC<mask_1:2>N(CCO)C2)C1<mask_1:2> | 5 | 27 | 2 | C(=O) | 2 | CC(C)n1ccnc1CN1CCC[C@@]2(CCCCN(CCO)C2)C1 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | CC |
<|startoftext|><L>CC(C)n1ccnc1CN1CCC[<mask_1:2>2(CCC(=O)N(CCO)C2)C1<mask_1:2> | 4 | 19 | 2 | C@@] | 2 | CC(C)n1ccnc1CN1CCC[C]2(CCC(=O)N(CCO)C2)C1 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | C] |
<|startoftext|><L>CC(<mask_1:6>1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1<mask_1:6> | 3 | 3 | 6 | C)n | 6 | CC(C)(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | C)(C)n |
<|startoftext|><L>CC(<mask_1:2>1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1<mask_1:2> | 3 | 3 | 2 | C)n | 2 | CC(C)1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | CC(C)n1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 | C) |
<|startoftext|><L>CCCCCNC(=O)Nc1cc(C)<mask_1:6>1[C@@H]1CCS(=O)(=O)C1<mask_1:6> | 2 | 19 | 6 | nn | 6 | CCCCCNC(=O)Nc1cc(C)cc(C)c1[C@@H]1CCS(=O)(=O)C1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | cc(C)c |
<|startoftext|><L>CCCCCNC(=O)Nc1cc(C)nn1[C@@H<mask_1:2>S(=O)(=O)C1<mask_1:2> | 4 | 27 | 2 | ]1CC | 2 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1S(=O)(=O)C1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | ]1 |
<|startoftext|><L>CCCCCN<mask_1:2>O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1<mask_1:2> | 3 | 6 | 2 | C(= | 2 | CCCCCN(CO)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | (C |
<|startoftext|><L>CCC<mask_1:5>CNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1<mask_1:5> | 1 | 3 | 5 | C | 5 | CCC(CC)CCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | (CC)C |
<|startoftext|><L>CCCCCNC(=O<mask_1:4>c(C)nn1[C@@H]1CCS(=O)(=O)C1<mask_1:4> | 5 | 10 | 4 | )Nc1c | 4 | CCCCCNC(=O)c1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | )c1c |
<|startoftext|><L>CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS<mask_1:1>O)C1<mask_1:1> | 6 | 32 | 1 | (=O)(= | 1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(O)C1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | ( |
<|startoftext|><L>CCCCCNC(=O)N<mask_1:6>c1cc(C)nn1[C@@H]1CCS(=O)(=O)C1<mask_1:6> | 0 | 12 | 6 | 6 | CCCCCNC(=O)NC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | C(=O)N |
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<|startoftext|><L>CC<mask_1:3>(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1<mask_1:3> | 5 | 2 | 3 | CCCNC | 3 | CCOCC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | OCC |
<|startoftext|><L>CCCCCNC(=O)Nc1cc<mask_1:2>C)nn1[C@@H]1CCS(=O)(=O)C1<mask_1:2> | 1 | 16 | 2 | ( | 2 | CCCCCNC(=O)Nc1cc(CC)nn1[C@@H]1CCS(=O)(=O)C1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | (C |
<|startoftext|><L>CCCCC<mask_1:6>O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1<mask_1:6> | 4 | 5 | 6 | NC(= | 6 | CCCCCCCCC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 | CCCC(= |
<|startoftext|><L>Cc1cc(C)cc(C(=O)N2CC[C@@H]<mask_1:5>(c3ccccc3C(=O)O)C2)c1<mask_1:5> | 0 | 26 | 5 | 5 | Cc1cc(C)cc(C(=O)N2CC[C@@H](O)CN(c3ccccc3C(=O)O)C2)c1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | (O)CN |
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<|startoftext|><L>Cc1cc(C)cc(C<mask_1:4>)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1<mask_1:4> | 3 | 12 | 4 | (=O | 4 | Cc1cc(C)cc(CC(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | C(=O |
<|startoftext|><L>Cc1cc(C)cc(C(=O)N2C<mask_1:6>H](c3ccccc3C(=O)O)C2)c1<mask_1:6> | 5 | 19 | 6 | C[C@@ | 6 | Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3ccccc3C(=O)O)C2)c1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | CC[C@@ |
<|startoftext|><L>Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C<mask_1:5>2)c1<mask_1:5> | 7 | 36 | 5 | (=O)O)C | 5 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C)[S@]2)c1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | )[S@] |
<|startoftext|><L>Cc1cc(C)cc(C(<mask_1:7>N2CC[C@@H](c3ccccc3C(=O)O)C2)c1<mask_1:7> | 3 | 13 | 7 | =O) | 7 | Cc1cc(C)cc(C(=O)NCCCN2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | =O)NCCC |
<|startoftext|><L>Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C<mask_1:1>O)C2)c1<mask_1:1> | 4 | 36 | 1 | (=O) | 1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C=O)C2)c1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | = |
<|startoftext|><L>Cc1cc(C)<mask_1:4>c(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1<mask_1:4> | 1 | 8 | 4 | c | 4 | Cc1cc(C)c(C)c(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | c(C) |
<|startoftext|><L>Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)<mask_1:3>)c1<mask_1:3> | 2 | 42 | 3 | C2 | 2 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | C2 |
<|startoftext|><L>Cc1cc(C)cc(C<mask_1:4>2CC[C@@H](c3ccccc3C(=O)O)C2)c1<mask_1:4> | 5 | 12 | 4 | (=O)N | 4 | Cc1cc(C)cc(COCCN2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | OCCN |
<|startoftext|><L>Cc1cc<mask_1:4>C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1<mask_1:4> | 6 | 5 | 4 | (C)cc( | 4 | Cc1cccc(CC(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 | cc(C |
<|startoftext|><L>COc1ccc(/C=N/n2c(S)nnc2<mask_1:4>(Br)cc2)cc1OC<mask_1:4> | 6 | 23 | 4 | -c2ccc | 4 | COc1ccc(/C=N/n2c(S)nnc2c2sc(Br)cc2)cc1OC | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | c2sc |
<|startoftext|><L>COc1ccc(/C=N/<mask_1:3>n2c(S)nnc2-c2ccc(Br)cc2)cc1OC<mask_1:3> | 0 | 13 | 3 | 3 | COc1ccc(/C=N/NCCn2c(S)nnc2-c2ccc(Br)cc2)cc1OC | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | NCC |
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<|startoftext|><L>COc1ccc(/C=N/n2c(S)nnc2<mask_1:3>cc(Br)cc2)cc1OC<mask_1:3> | 4 | 23 | 3 | -c2c | 3 | COc1ccc(/C=N/n2c(S)nnc2-n2cc(Br)cc2)cc1OC | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | -n2 |
<|startoftext|><L>COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)<mask_1:5>2)cc1OC<mask_1:5> | 2 | 33 | 5 | cc | 5 | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)c(C)c2)cc1OC | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | c(C)c |
<|startoftext|><L>COc1ccc(<mask_1:1>2c(S)nnc2-c2ccc(Br)cc2)cc1OC<mask_1:1> | 6 | 8 | 1 | /C=N/n | 1 | COc1ccc(n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | n |
<|startoftext|><L>CO<mask_1:4>ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC<mask_1:4> | 2 | 2 | 4 | c1 | 4 | COCOc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | COc1 |
<|startoftext|><L>COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)<mask_1:5>c1OC<mask_1:5> | 1 | 37 | 5 | c | 5 | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)c(OC)c1OC | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | c(OC) |
<|startoftext|><L>COc1ccc(/<mask_1:1>C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC<mask_1:1> | 0 | 9 | 1 | 1 | COc1ccc(/CC=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | C |
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<|startoftext|><L>COc1ccc(<mask_1:2>n2c(S)nnc2-c2ccc(Br)cc2)cc1OC<mask_1:2> | 5 | 8 | 2 | /C=N/ | 2 | COc1ccc(CCn2c(S)nnc2-c2ccc(Br)cc2)cc1OC | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | CC |
<|startoftext|><L>COc1ccc(/C=N/n2c(S)nn<mask_1:2>c2ccc(Br)cc2)cc1OC<mask_1:2> | 3 | 21 | 2 | c2- | 2 | COc1ccc(/C=N/n2c(S)nnc2c2ccc(Br)cc2)cc1OC | COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1OC | c2 |
<|startoftext|><L>CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)<mask_1:2>OC1<mask_1:2> | 1 | 49 | 2 | C | 2 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)CCOC1 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | CC |
<|startoftext|><L>CC1(Cn2cc(C(=O)N3<mask_1:5>C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1<mask_1:5> | 0 | 17 | 5 | 5 | CC1(Cn2cc(C(=O)N3C(=O)C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | C(=O) |
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<|startoftext|><L><mask_1:6>1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1<mask_1:6> | 2 | 0 | 6 | CC | 6 | C[C@@]1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | C[C@@] |
<|startoftext|><L>CC1(Cn2cc(C(=O)N3C[<mask_1:4>C(F)(F)F)Nc4ccccc43)nn2)COC1<mask_1:4> | 6 | 19 | 4 | C@@H]( | 4 | CC1(Cn2cc(C(=O)N3C[C@](C(F)(F)F)Nc4ccccc43)nn2)COC1 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | C@]( |
<|startoftext|><L>CC1(Cn2cc(C(=O)N3C[C@@H](C(<mask_1:4>(F)F)Nc4ccccc43)nn2)COC1<mask_1:4> | 2 | 27 | 4 | F) | 4 | CC1(Cn2cc(C(=O)N3C[C@@H](C(=O)C(F)F)Nc4ccccc43)nn2)COC1 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | =O)C |
<|startoftext|><L><mask_1:3>1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1<mask_1:3> | 2 | 0 | 3 | CC | 3 | COC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | COC |
<|startoftext|><L>CC1<mask_1:4>(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1<mask_1:4> | 0 | 3 | 4 | 4 | CC1(C)C(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | (C)C |
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<|startoftext|><L>CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)N<mask_1:7>4ccccc43)nn2)COC1<mask_1:7> | 1 | 35 | 7 | c | 7 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)NC(=O)Oc4ccccc43)nn2)COC1 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | C(=O)Oc |
<|startoftext|><L>CC1(Cn2cc(C(=O)N3C[C@<mask_1:2>(C(F)(F)F)Nc4ccccc43)nn2)COC1<mask_1:2> | 3 | 21 | 2 | @H] | 2 | CC1(Cn2cc(C(=O)N3C[C@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | H] |
<|startoftext|><L>CC1(Cn2cc(C<mask_1:7>3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1<mask_1:7> | 5 | 11 | 7 | (=O)N | 7 | CC1(Cn2cc(CNC(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)Nc4ccccc43)nn2)COC1 | NC(=O)N |
<|startoftext|><L>CCN(C<mask_1:4>c(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1<mask_1:4> | 5 | 5 | 4 | c1ccc | 4 | CCN(Cc1csc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | c1cs |
<|startoftext|><L>CCN(Cc1cccc(C<mask_1:4>1)C(=O)c1cccc(N2CCCC2=O)c1<mask_1:4> | 3 | 13 | 4 | l)c | 4 | CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(N2CCCC2=O)c1 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | #N)c |
<|startoftext|><L>CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N<mask_1:5>CC2=O)c1<mask_1:5> | 3 | 31 | 5 | 2CC | 5 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCCCC2=O)c1 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | 2CCCC |
<|startoftext|><L>CCN(Cc1<mask_1:6>cc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1<mask_1:6> | 2 | 7 | 6 | cc | 6 | CCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | cc(Cl) |
<|startoftext|><L>CCN(Cc1c<mask_1:4>c(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1<mask_1:4> | 2 | 8 | 4 | cc | 4 | CCN(Cc1c[nH]c(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | [nH] |
<|startoftext|><L>CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2<mask_1:3>CCC2=O)c1<mask_1:3> | 1 | 32 | 3 | C | 3 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCCCC2=O)c1 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | CCC |
<|startoftext|><L>CCN(Cc1cccc(Cl)<mask_1:5>(=O)c1cccc(N2CCCC2=O)c1<mask_1:5> | 4 | 15 | 5 | c1)C | 5 | CCN(Cc1cccc(Cl)c1C)C(=O)c1cccc(N2CCCC2=O)c1 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | c1C)C |
<|startoftext|><L>CCN<mask_1:4>1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1<mask_1:4> | 3 | 3 | 4 | (Cc | 4 | CCN(CCc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | (CCc |
<|startoftext|><L>CCN(Cc1cccc(Cl)c1)C(=O)<mask_1:4>1cccc(N2CCCC2=O)c1<mask_1:4> | 1 | 23 | 4 | c | 4 | CCN(Cc1cccc(Cl)c1)C(=O)NCCc1cccc(N2CCCC2=O)c1 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | NCCc |
<|startoftext|><L>CCN(Cc1cccc(Cl)c1)C(=O)c<mask_1:3>c(N2CCCC2=O)c1<mask_1:3> | 4 | 24 | 3 | 1ccc | 3 | CCN(Cc1cccc(Cl)c1)C(=O)c1csc(N2CCCC2=O)c1 | CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 | 1cs |