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stringlengths 47
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| first_mask_count
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16
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176
| first_mask_gen_count
int64 1
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stringlengths 0
16
| first_mask_gen_count_real
int64 0
19
| generated_smiles
stringlengths 10
199
| original_smiles
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<|startoftext|><L>C[C@@H](CNC(=O<mask_1:5>c1ccccc1F)c1ccccc1<mask_1:5> | 3 | 14 | 5 | )CC | 5 | C[C@@H](CNC(=O)CCCOc1ccccc1F)c1ccccc1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | )CCCO |
<|startoftext|><L>C[C@@H](CNC(<mask_1:4>CCc1ccccc1F)c1ccccc1<mask_1:4> | 3 | 12 | 4 | =O) | 4 | C[C@@H](CNC(=O)NCCc1ccccc1F)c1ccccc1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | =O)N |
<|startoftext|><L>C<mask_1:2>@H](CNC(=O)CCc1ccccc1F)c1ccccc1<mask_1:2> | 3 | 1 | 2 | [C@ | 2 | C[C@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | [C |
<|startoftext|><L>C[C@@H](CNC(=O)CCc1ccccc1<mask_1:5>F)c1ccccc1<mask_1:5> | 0 | 25 | 5 | 5 | C[C@@H](CNC(=O)CCc1ccccc1OC(F)F)c1ccccc1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | OC(F) |
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<|startoftext|><L>C[C@@H](CNC(=O)CCc1<mask_1:3>c1F)c1ccccc1<mask_1:3> | 4 | 19 | 3 | cccc | 3 | C[C@@H](CNC(=O)CCc1sccc1F)c1ccccc1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | scc |
<|startoftext|><L>C[C@@H<mask_1:5>C(=O)CCc1ccccc1F)c1ccccc1<mask_1:5> | 4 | 6 | 5 | ](CN | 5 | C[C@@H](CCNC(=O)CCc1ccccc1F)c1ccccc1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | ](CCN |
<|startoftext|><L>C[C@@H](CNC(=O)C<mask_1:5>ccccc1F)c1ccccc1<mask_1:5> | 3 | 16 | 5 | Cc1 | 5 | C[C@@H](CNC(=O)CCCOc1ccccc1F)c1ccccc1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | CCOc1 |
<|startoftext|><L>C[C@@H](CNC(=O)CCc<mask_1:2>c1F)c1ccccc1<mask_1:2> | 5 | 18 | 2 | 1cccc | 2 | C[C@@H](CNC(=O)CCc1sc1F)c1ccccc1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | 1s |
<|startoftext|><L>C[C@@H](CNC(=O)C<mask_1:3>ccc1F)c1ccccc1<mask_1:3> | 5 | 16 | 3 | Cc1cc | 3 | C[C@@H](CNC(=O)Cn1cccc1F)c1ccccc1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | n1c |
<|startoftext|><L>C[C@@H](CNC(=O)CCc1ccccc1F)c1ccc<mask_1:1>1<mask_1:1> | 2 | 32 | 1 | cc | 1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1cccs1 | C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 | s |
<|startoftext|><L>Cc1cccc(NC(=O)c2cc<mask_1:5>cc2NC(=O)c2ccco2)c1<mask_1:5> | 1 | 18 | 5 | c | 5 | Cc1cccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccco2)c1 | Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | (Cl)c |
<|startoftext|><L>Cc1cc<mask_1:1>NC(=O)c2ccccc2NC(=O)c2ccco2)c1<mask_1:1> | 3 | 5 | 1 | cc( | 1 | Cc1cc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | ( |
<|startoftext|><L>Cc1cccc(N<mask_1:4>c2ccccc2NC(=O)c2ccco2)c1<mask_1:4> | 5 | 9 | 4 | C(=O) | 4 | Cc1cccc(N(C)Cc2ccccc2NC(=O)c2ccco2)c1 | Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | (C)C |
<|startoftext|><L>Cc1cccc(NC(=O<mask_1:3>2ccccc2NC(=O)c2ccco2)c1<mask_1:3> | 2 | 13 | 3 | )c | 3 | Cc1cccc(NC(=O)Cc2ccccc2NC(=O)c2ccco2)c1 | Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | )Cc |
<|startoftext|><L>Cc1cccc<mask_1:3>NC(=O)c2ccccc2NC(=O)c2ccco2)c1<mask_1:3> | 1 | 7 | 3 | ( | 3 | Cc1cccc(CCNC(=O)c2ccccc2NC(=O)c2ccco2)c1 | Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | (CC |
<|startoftext|><L>Cc1cccc(NC(=O)c2ccccc2NC<mask_1:1>2ccco2)c1<mask_1:1> | 5 | 24 | 1 | (=O)c | 1 | Cc1cccc(NC(=O)c2ccccc2NCc2ccco2)c1 | Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | c |
<|startoftext|><L>Cc1cccc(NC(=<mask_1:4>c2ccccc2NC(=O)c2ccco2)c1<mask_1:4> | 2 | 12 | 4 | O) | 4 | Cc1cccc(NC(=O)CSc2ccccc2NC(=O)c2ccco2)c1 | Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | O)CS |
<|startoftext|><L>C<mask_1:1>c1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1<mask_1:1> | 0 | 1 | 1 | 1 | COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | O |
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<|startoftext|><L>Cc1c<mask_1:5>NC(=O)c2ccccc2NC(=O)c2ccco2)c1<mask_1:5> | 4 | 4 | 5 | ccc( | 5 | Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccco2)c1 | Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | ccc(C |
<|startoftext|><L>Cc1cccc(NC(=O)c2ccccc2N<mask_1:5>)c2ccco2)c1<mask_1:5> | 4 | 23 | 5 | C(=O | 5 | Cc1cccc(NC(=O)c2ccccc2NCC(=O)c2ccco2)c1 | Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 | CC(=O |
<|startoftext|><L>C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H<mask_1:7>[C@@H]42<mask_1:7> | 2 | 71 | 7 | ]5 | 7 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@H][C@@H]42 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | ]5[C@H] |
<|startoftext|><L>C[C@]12[C@<mask_1:10>@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42<mask_1:10> | 7 | 10 | 10 | @H]3[C@ | 10 | C[C@]12[C@@H]3C=C[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | @H]3C=C[C@ |
<|startoftext|><L>C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccc<mask_1:8>cc3)c(=O)n1[C@H]5[C@@H]42<mask_1:8> | 0 | 56 | 8 | 8 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccc(C(N)=O)cc3)c(=O)n1[C@H]5[C@@H]42 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | (C(N)=O) |
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<|startoftext|><L>C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(<mask_1:12>ccc3)c(=O)n1[C@H]5[C@@H]42<mask_1:12> | 10 | 45 | 12 | =O)n(-c3cc | 13 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3cc(I)ccc3)c(=O)n1[C@H]5[C@@H]42 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | =O)n(-c3cc(I) |
<|startoftext|><L>C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H<mask_1:8>]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42<mask_1:8> | 6 | 33 | 8 | ]3[C@H | 7 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | ]3[C@@H |
<|startoftext|><L>C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=<mask_1:11>@@H]42<mask_1:11> | 12 | 63 | 11 | O)n1[C@H]5[C | 12 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | O)n1[C@H]5[C |
<|startoftext|><L>C[C@]12[C@@H]3[C@@<mask_1:11>@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42<mask_1:11> | 12 | 18 | 11 | H]4[C@@H]5[C | 11 | C[C@]12[C@@H]3[C@@H]4[C@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | H]4[C@H]5[C |
<|startoftext|><L>C<mask_1:11>[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42<mask_1:11> | 6 | 1 | 11 | [C@]12 | 11 | CC[C@@]12CCC[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | C[C@@]12CCC |
<|startoftext|><L>C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H<mask_1:3>[C@@H]42<mask_1:3> | 2 | 71 | 3 | ]5 | 3 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5C[C@@H]42 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | ]5C |
<|startoftext|><L>C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)<mask_1:12>cc3)c(=O)n1[C@H]5[C@@H]42<mask_1:12> | 8 | 48 | 12 | n(-c3ccc | 12 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccc(Br)cc3)c(=O)n1[C@H]5[C@@H]42 | C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@@H]42 | n(-c3ccc(Br) |
<|startoftext|><L><mask_1:4>1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1<mask_1:4> | 6 | 0 | 4 | C=CCOc | 4 | CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | CCOc |
<|startoftext|><L>C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O<mask_1:5>H](C)C3)n2)cc1<mask_1:5> | 4 | 37 | 5 | [C@@ | 4 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | [C@@ |
<|startoftext|><L>C=CC<mask_1:6>c1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1<mask_1:6> | 1 | 4 | 6 | O | 6 | C=CCOC(=O)c1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | OC(=O) |
<|startoftext|><L>C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](<mask_1:5>H](C)C3)n2)cc1<mask_1:5> | 7 | 34 | 5 | C)O[C@@ | 5 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[CH](C)C3)n2)cc1 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | C)O[C |
<|startoftext|><L>C=CCOc1ccc(-c2nnn(<mask_1:6>C[C@@H](C)O[C@@H](C)C3)n2)cc1<mask_1:6> | 8 | 18 | 6 | CC(=O)N3 | 6 | C=CCOc1ccc(-c2nnn([C@H]3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | [C@H]3 |
<|startoftext|><L>C=CCOc1ccc(<mask_1:6>c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1<mask_1:6> | 1 | 11 | 6 | - | 6 | C=CCOc1ccc(/C=C/Nc2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | /C=C/N |
<|startoftext|><L>C=CCOc1ccc(-c2nnn<mask_1:3>=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1<mask_1:3> | 4 | 17 | 3 | (CC( | 3 | C=CCOc1ccc(-c2nnn(C(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | (C( |
<|startoftext|><L>C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O<mask_1:7>@@H](C)C3)n2)cc1<mask_1:7> | 2 | 37 | 7 | [C | 7 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)OC(=O)[C@@H](C)C3)n2)cc1 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | C(=O)[C |
<|startoftext|><L>C=CCOc1ccc(-c2nnn(CC(<mask_1:5>[C@@H](C)O[C@@H](C)C3)n2)cc1<mask_1:5> | 6 | 21 | 5 | =O)N3C | 5 | C=CCOc1ccc(-c2nnn(CC(=O)N3[C@@H](C)O[C@@H](C)C3)n2)cc1 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | =O)N3 |
<|startoftext|><L>C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@<mask_1:2>C3)n2)cc1<mask_1:2> | 5 | 41 | 2 | H](C) | 2 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H]C3)n2)cc1 | C=CCOc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 | H] |
<|startoftext|><L>Cc1cc(C(=O)N2CCCC[C@<mask_1:6>2ccc(F)cc2)c(C)n1C<mask_1:6> | 4 | 20 | 6 | H]2c | 6 | Cc1cc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)c(C)n1C | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | @H]2Cc |
<|startoftext|><L>Cc1cc(C(=O)N2CCCC[C@H]2c2cc<mask_1:6>cc2)c(C)n1C<mask_1:6> | 4 | 27 | 6 | c(F) | 6 | Cc1cc(C(=O)N2CCCC[C@H]2c2cc(CCO)ccc2)c(C)n1C | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | (CCO)c |
<|startoftext|><L><mask_1:4>c1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C<mask_1:4> | 1 | 0 | 4 | C | 4 | C=CCc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | C=CC |
<|startoftext|><L><mask_1:5>c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C<mask_1:5> | 4 | 0 | 5 | Cc1c | 5 | COc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | COc1c |
<|startoftext|><L>Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc<mask_1:5>n1C<mask_1:5> | 6 | 33 | 5 | 2)c(C) | 5 | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2Cl)nn1C | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | 2Cl)n |
<|startoftext|><L>Cc1cc(C(=O)N2CCC<mask_1:5>H]2c2ccc(F)cc2)c(C)n1C<mask_1:5> | 4 | 16 | 5 | C[C@ | 5 | Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(C)n1C | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | C[C@@ |
<|startoftext|><L>Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2<mask_1:2>)c(C)n1C<mask_1:2> | 0 | 34 | 2 | 2 | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2Cl)c(C)n1C | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | Cl |
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<|startoftext|><L>Cc1cc(C(=O)N2C<mask_1:6>@H]2c2ccc(F)cc2)c(C)n1C<mask_1:6> | 5 | 14 | 6 | CCC[C | 6 | Cc1cc(C(=O)N2CCOC[C@@H]2c2ccc(F)cc2)c(C)n1C | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | COC[C@ |
<|startoftext|><L>Cc1cc(<mask_1:4>N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C<mask_1:4> | 5 | 6 | 4 | C(=O) | 4 | Cc1cc(CNCCN2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | CNCC |
<|startoftext|><L>C<mask_1:6>1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C<mask_1:6> | 1 | 1 | 6 | c | 6 | CC(=O)c1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)n1C | C(=O)c |
<|startoftext|><L>O=C(O)CCN1CCCC[C@<mask_1:1>H]1Cc1ccccc1<mask_1:1> | 0 | 17 | 1 | 1 | O=C(O)CCN1CCCC[C@@H]1Cc1ccccc1 | O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 | @ |
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<|startoftext|><L>O=C(O)CCN1CCCC[C@H]1<mask_1:4>1ccccc1<mask_1:4> | 2 | 20 | 4 | Cc | 4 | O=C(O)CCN1CCCC[C@H]1CCOc1ccccc1 | O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 | CCOc |
<|startoftext|><L>O=C<mask_1:4>CCN1CCCC[C@H]1Cc1ccccc1<mask_1:4> | 3 | 3 | 4 | (O) | 4 | O=C(O)CCCN1CCCC[C@H]1Cc1ccccc1 | O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 | (O)C |
<|startoftext|><L>O=C(O)CCN1CCCC[<mask_1:2>1Cc1ccccc1<mask_1:2> | 4 | 15 | 2 | C@H] | 2 | O=C(O)CCN1CCCC[C]1Cc1ccccc1 | O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 | C] |
<|startoftext|><L>O=C(O)CC<mask_1:3>1CCCC[C@H]1Cc1ccccc1<mask_1:3> | 1 | 8 | 3 | N | 3 | O=C(O)CCCCN1CCCC[C@H]1Cc1ccccc1 | O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 | CCN |
<|startoftext|><L>O=C(O)C<mask_1:1>1CCCC[C@H]1Cc1ccccc1<mask_1:1> | 2 | 7 | 1 | CN | 1 | O=C(O)CN1CCCC[C@H]1Cc1ccccc1 | O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 | N |
<|startoftext|><L>O=C(O)CCN1CCCC<mask_1:2>[C@H]1Cc1ccccc1<mask_1:2> | 0 | 14 | 2 | 2 | O=C(O)CCN1CCCCCC[C@H]1Cc1ccccc1 | O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 | CC |
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<|startoftext|><L>O=C(O)CCN1CCCC[C@H]1C<mask_1:4>c1ccccc1<mask_1:4> | 0 | 21 | 4 | 4 | O=C(O)CCN1CCCC[C@H]1C(=O)c1ccccc1 | O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 | (=O) |
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<|startoftext|><L>O=C(O)CCN1CC<mask_1:3>[C@H]1Cc1ccccc1<mask_1:3> | 2 | 12 | 3 | CC | 3 | O=C(O)CCN1CCCCC[C@H]1Cc1ccccc1 | O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 | CCC |
<|startoftext|><L>O=C(O<mask_1:3>CCN1CCCC[C@H]1Cc1ccccc1<mask_1:3> | 1 | 5 | 3 | ) | 3 | O=C(O)CCCCN1CCCC[C@H]1Cc1ccccc1 | O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 | )CC |
<|startoftext|><L>CCC[C@H](<mask_1:4>(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2<mask_1:4> | 2 | 9 | 4 | NC | 4 | CCC[C@H](NCCC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | NCCC |
<|startoftext|><L>CCC[C@H](NC(=<mask_1:5>1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2<mask_1:5> | 4 | 13 | 5 | O)Nc | 5 | CCC[C@H](NC(=O)NCc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | O)NCc |
<|startoftext|><L><mask_1:6>C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2<mask_1:6> | 4 | 0 | 6 | CCC[ | 6 | CC(C)[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | CC(C)[ |
<|startoftext|><L><mask_1:5>C[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2<mask_1:5> | 2 | 0 | 5 | CC | 5 | CC(C)C[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | CC(C) |
<|startoftext|><L>CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)<mask_1:2>C12CC3CC(CC(C3)C1)C2<mask_1:2> | 0 | 34 | 2 | 2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)NCC12CC3CC(CC(C3)C1)C2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | NC |
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<|startoftext|><L>CCC[C@H](NC(<mask_1:7>Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2<mask_1:7> | 3 | 12 | 7 | =O) | 8 | CCC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | =O)C(=O) |
<|startoftext|><L>CCC[C@H](NC(=O)Nc1ccc(C(=O)O<mask_1:7>C12CC3CC(CC(C3)C1)C2<mask_1:7> | 6 | 28 | 7 | C)cc1) | 7 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1C)C12CC3CC(CC(C3)C1)C2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | C)cc1C) |
<|startoftext|><L>CCC[C@H](NC(=O)Nc1ccc<mask_1:7>(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2<mask_1:7> | 2 | 21 | 7 | (C | 7 | CCC[C@H](NC(=O)Nc1ccc(CN(C)C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | (CN(C)C |
<|startoftext|><L>CCC[C@<mask_1:6>(NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2<mask_1:6> | 2 | 6 | 6 | H] | 6 | CCC[C@@](CO)(NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | @](CO) |
<|startoftext|><L>CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)<mask_1:5>C12CC3CC(CC(C3)C1)C2<mask_1:5> | 0 | 34 | 5 | 5 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 | CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 | C(=O) |
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<|startoftext|><L>CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc<mask_1:4>)cc1<mask_1:4> | 7 | 42 | 4 | 1ccc(CC | 4 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1c(C)cc1 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | 1c(C |
<|startoftext|><L>CCCCNC(=O)[C@@H](C)<mask_1:4>N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1<mask_1:4> | 0 | 19 | 4 | 4 | CCCCNC(=O)[C@@H](C)N(C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | N(C) |
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<|startoftext|><L>CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc<mask_1:2>1<mask_1:2> | 6 | 46 | 2 | (CC)cc | 2 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | cc |
<|startoftext|><L>CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1<mask_1:7>CCc1ccc(CC)cc1<mask_1:7> | 6 | 33 | 7 | )C(=O) | 7 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCc1ccc(CC)cc1 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | )C(=O)C |
<|startoftext|><L>CCCCNC(=O)[C@@H](C)N<mask_1:3>ccc(C)cc1)C(=O)CCc1ccc(CC)cc1<mask_1:3> | 4 | 20 | 3 | (Cc1 | 3 | CCCCNC(=O)[C@@H](C)N(c1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | (c1 |
<|startoftext|><L>CCCCNC(=O)[C@@H](C)N(Cc1<mask_1:3>c1)C(=O)CCc1ccc(CC)cc1<mask_1:3> | 7 | 24 | 3 | ccc(C)c | 3 | CCCCNC(=O)[C@@H](C)N(Cc1ccsc1)C(=O)CCc1ccc(CC)cc1 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | ccs |
<|startoftext|><L>CCCCNC(<mask_1:5>[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1<mask_1:5> | 3 | 7 | 5 | =O) | 5 | CCCCNC(=O)NC[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | =O)NC |
<|startoftext|><L>CCC<mask_1:7>C(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1<mask_1:7> | 2 | 3 | 7 | CN | 7 | CCCCNC(=O)C(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | CNC(=O) |
<|startoftext|><L>CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CC<mask_1:6>ccc(CC)cc1<mask_1:6> | 2 | 41 | 6 | c1 | 6 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCCCOc1ccc(CC)cc1 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | CCCOc1 |
<|startoftext|><L>CCCCNC(=<mask_1:5>[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1<mask_1:5> | 2 | 8 | 5 | O) | 5 | CCCCNC(=O)NCC[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 | O)NCC |
<|startoftext|><L>CCCCCCCCC<mask_1:3>[C@]1(C)O[C@H]1C(=O)OCC<mask_1:3> | 0 | 9 | 3 | 3 | CCCCCCCCCOCC[C@]1(C)O[C@H]1C(=O)OCC | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | OCC |
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<|startoftext|><L>CCCCCCCCC[C@]1<mask_1:2>O[C@H]1C(=O)OCC<mask_1:2> | 3 | 14 | 2 | (C) | 2 | CCCCCCCCC[C@]1CCO[C@H]1C(=O)OCC | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | CC |
<|startoftext|><L>CCCCCCCCC[C@]1(C)O[C@H<mask_1:4>C(=O)OCC<mask_1:4> | 2 | 22 | 4 | ]1 | 4 | CCCCCCCCC[C@]1(C)O[C@H]1COC(=O)OCC | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | ]1CO |
<|startoftext|><L>CCCC<mask_1:3>CCCC[C@]1(C)O[C@H]1C(=O)OCC<mask_1:3> | 1 | 4 | 3 | C | 3 | CCCCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | CCC |
<|startoftext|><L>CC<mask_1:2>CCC[C@]1(C)O[C@H]1C(=O)OCC<mask_1:2> | 4 | 2 | 2 | CCCC | 2 | CCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | CC |
<|startoftext|><L>CCCCCCCCC[C@]1(C)O[C@H]1C(=O)O<mask_1:1>CC<mask_1:1> | 0 | 30 | 1 | 1 | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCCC | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | C |
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<|startoftext|><L>C<mask_1:4>CCCCCC[C@]1(C)O[C@H]1C(=O)OCC<mask_1:4> | 2 | 1 | 4 | CC | 4 | CCC#CCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | CC#C |
<|startoftext|><L>CCCCCCCCC[C@]1(C)O[C@H]1C(<mask_1:2>CC<mask_1:2> | 4 | 26 | 2 | =O)O | 2 | CCCCCCCCC[C@]1(C)O[C@H]1C(C)CC | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | C) |
<|startoftext|><L><mask_1:1>CCCCC[C@]1(C)O[C@H]1C(=O)OCC<mask_1:1> | 4 | 0 | 1 | CCCC | 1 | CCCCCC[C@]1(C)O[C@H]1C(=O)OCC | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | C |
<|startoftext|><L>CCCCCCCCC[C@]1(C)O[<mask_1:4>H]1C(=O)OCC<mask_1:4> | 2 | 19 | 4 | C@ | 3 | CCCCCCCCC[C@]1(C)O[C@@H]1C(=O)OCC | CCCCCCCCC[C@]1(C)O[C@H]1C(=O)OCC | C@@ |
<|startoftext|><L>Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C<mask_1:4>c2c1<mask_1:4> | 2 | 32 | 4 | )n | 4 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C#N)nc2c1 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | #N)n |
<|startoftext|><L>Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]<mask_1:4>2c1<mask_1:4> | 5 | 30 | 4 | 3C)nc | 4 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3)nc2c1 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | 3)nc |
<|startoftext|><L>Cc1ccn2cc(CNC(=<mask_1:4>[C@@H]3C[C@H]3C)nc2c1<mask_1:4> | 2 | 15 | 4 | O) | 4 | Cc1ccn2cc(CNC(=O)NC[C@@H]3C[C@H]3C)nc2c1 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | O)NC |
<|startoftext|><L><mask_1:5>c1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1<mask_1:5> | 1 | 0 | 5 | C | 5 | CC(C)c1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | CC(C) |
<|startoftext|><L><mask_1:4>ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1<mask_1:4> | 3 | 0 | 4 | Cc1 | 4 | COc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | COc1 |
<|startoftext|><L>Cc1ccn2cc(CNC(=O)[C@@H]<mask_1:5>@H]3C)nc2c1<mask_1:5> | 4 | 23 | 5 | 3C[C | 5 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@@H]3C)nc2c1 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | 3C[C@ |
<|startoftext|><L>Cc1ccn2cc(CNC(=<mask_1:5>@@H]3C[C@H]3C)nc2c1<mask_1:5> | 4 | 15 | 5 | O)[C | 5 | Cc1ccn2cc(CNC(=O)N[C@@H]3C[C@H]3C)nc2c1 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | O)N[C |
<|startoftext|><L>Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]<mask_1:4>3C)nc2c1<mask_1:4> | 0 | 30 | 4 | 4 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H](O)C3C)nc2c1 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | (O)C |
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<|startoftext|><L>Cc1c<mask_1:4>n2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1<mask_1:4> | 1 | 4 | 4 | c | 4 | Cc1cc(C)n2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | c(C) |
<|startoftext|><L>Cc1ccn2cc(CNC(=O)[C@@H]3C<mask_1:4>@H]3C)nc2c1<mask_1:4> | 2 | 25 | 4 | [C | 4 | Cc1ccn2cc(CNC(=O)[C@@H]3CCO[C@H]3C)nc2c1 | Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3C)nc2c1 | CO[C |