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stringlengths 49
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| first_mask_count
int64 0
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| first_start_index
int64 0
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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
18
| generated_smiles
stringlengths 12
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| original_smiles
stringlengths 12
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<|startoftext|><L>CNC(=O)[C@@H]1C<mask_1:7>@H]1Nc1cnc([N+](=O)[O-])c(Br)c1<mask_1:7> | 4 | 15 | 7 | CC[C | 7 | CNC(=O)[C@@H]1CCCCC[C@@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CCCC[C@ |
<|startoftext|><L>CNC(=O)[C@@H]1CCC[C@H]1<mask_1:5>Nc1cnc([N+](=O)[O-])c(Br)c1<mask_1:5> | 0 | 23 | 5 | 5 | CNC(=O)[C@@H]1CCC[C@H]1C(=O)Nc1cnc([N+](=O)[O-])c(Br)c1 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | C(=O) |
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<|startoftext|><L>CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O<mask_1:5>c(Br)c1<mask_1:5> | 6 | 37 | 5 | )[O-]) | 6 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | )[O-]) |
<|startoftext|><L><mask_1:4>O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1<mask_1:4> | 5 | 0 | 4 | CNC(= | 4 | O=C(O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | O=C( |
<|startoftext|><L>C<mask_1:3>C(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1<mask_1:3> | 1 | 1 | 3 | N | 3 | CCCNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CCN |
<|startoftext|><L>CNC<mask_1:3>C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1<mask_1:3> | 5 | 3 | 3 | (=O)[ | 3 | CNCCC[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CC[ |
<|startoftext|><L>CNC(=O)[C@@H]<mask_1:1>C[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1<mask_1:1> | 3 | 13 | 1 | 1CC | 1 | CNC(=O)[C@@H]1C[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | 1 |
<|startoftext|><L>CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O<mask_1:5>c(Br)c1<mask_1:5> | 6 | 37 | 5 | )[O-]) | 6 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | )[O-]) |
<|startoftext|><L>CN<mask_1:6>[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1<mask_1:6> | 5 | 2 | 6 | C(=O) | 6 | CNC(=O)N[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | C(=O)N |
<|startoftext|><L>CNC(=O)[C@@H]1C<mask_1:4>CC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1<mask_1:4> | 0 | 15 | 4 | 4 | CNC(=O)[C@@H]1CN(C)CC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc([N+](=O)[O-])c(Br)c1 | N(C) |
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<|startoftext|><L>CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OC<mask_1:6>=O)O)C1(C)C<mask_1:6> | 7 | 35 | 6 | CO3)(C( | 6 | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCO3)(C(=O)O)C1(C)C | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | O3)(C( |
<|startoftext|><L>CCO[C<mask_1:1>@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C<mask_1:1> | 0 | 5 | 1 | 1 | CCO[C@@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | @ |
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<|startoftext|><L>CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(<mask_1:4>C<mask_1:4> | 2 | 50 | 4 | C) | 4 | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(CC)CC | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | CC)C |
<|startoftext|><L>CC<mask_1:5>C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C<mask_1:5> | 7 | 2 | 5 | O[C@H]1 | 5 | CCC1(C)C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | C1(C) |
<|startoftext|><L>CCO[C@H]1C[<mask_1:4>C(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C<mask_1:4> | 6 | 11 | 4 | C@@](N | 4 | CCO[C@H]1C[C@](C(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | C@]( |
<|startoftext|><L>CCO[C@H]1C[C@@](NC(=O)<mask_1:2>2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C<mask_1:2> | 1 | 22 | 2 | c | 2 | CCO[C@H]1C[C@@](NC(=O)Cc2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | Cc |
<|startoftext|><L>C<mask_1:2>1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C<mask_1:2> | 7 | 1 | 2 | CO[C@H] | 2 | CCN1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | CN |
<|startoftext|><L>CCO[C@H]1C[C@@](NC<mask_1:6>O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C<mask_1:6> | 2 | 18 | 6 | (= | 6 | CCO[C@H]1C[C@@](NC(=O)C(O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | (=O)C( |
<|startoftext|><L>C<mask_1:2>H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C<mask_1:2> | 5 | 1 | 2 | CO[C@ | 2 | C[CH]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | [C |
<|startoftext|><L>CCO[C@H]1C[C@@](NC(=O)c2ccc3c<mask_1:6>CCO3)(C(=O)O)C1(C)C<mask_1:6> | 5 | 29 | 6 | (c2)O | 6 | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCCO3)(C(=O)O)C1(C)C | CCO[C@H]1C[C@@](NC(=O)c2ccc3c(c2)OCCO3)(C(=O)O)C1(C)C | (c2)OC |
<|startoftext|><L>Cc1cc(C)cc(Oc2<mask_1:4>CN)ccn2)c1<mask_1:4> | 3 | 14 | 4 | cc( | 4 | Cc1cc(C)cc(Oc2cc(CCN)ccn2)c1 | Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 | cc(C |
<|startoftext|><L>Cc1<mask_1:4>c(C)cc(Oc2cc(CN)ccn2)c1<mask_1:4> | 1 | 3 | 4 | c | 4 | Cc1c(C)c(C)cc(Oc2cc(CN)ccn2)c1 | Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 | c(C) |
<|startoftext|><L>Cc1cc(C)cc(Oc2cc<mask_1:4>)ccn2)c1<mask_1:4> | 3 | 16 | 4 | (CN | 4 | Cc1cc(C)cc(Oc2cc(C#N)ccn2)c1 | Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 | (C#N |
<|startoftext|><L>Cc1cc(C)cc(<mask_1:1>Oc2cc(CN)ccn2)c1<mask_1:1> | 0 | 11 | 1 | 1 | Cc1cc(C)cc(COc2cc(CN)ccn2)c1 | Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 | C |
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<|startoftext|><L>Cc1cc(C)cc(Oc2cc(CN)c<mask_1:4>2)c1<mask_1:4> | 2 | 21 | 4 | cn | 4 | Cc1cc(C)cc(Oc2cc(CN)c[nH]2)c1 | Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 | [nH] |
<|startoftext|><L>Cc1cc(C)cc(<mask_1:3>2cc(CN)ccn2)c1<mask_1:3> | 2 | 11 | 3 | Oc | 3 | Cc1cc(C)cc(CSc2cc(CN)ccn2)c1 | Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 | CSc |
<|startoftext|><L>Cc1cc(C)<mask_1:3>c2cc(CN)ccn2)c1<mask_1:3> | 4 | 8 | 3 | cc(O | 3 | Cc1cc(C)cc(c2cc(CN)ccn2)c1 | Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 | cc( |
<|startoftext|><L>Cc1cc(C)cc(Oc2cc(CN)<mask_1:3>)c1<mask_1:3> | 4 | 20 | 3 | ccn2 | 3 | Cc1cc(C)cc(Oc2cc(CN)on2)c1 | Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 | on2 |
<|startoftext|><L>Cc1cc(C)cc(<mask_1:1>Oc2cc(CN)ccn2)c1<mask_1:1> | 0 | 11 | 1 | 1 | Cc1cc(C)cc(COc2cc(CN)ccn2)c1 | Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 | C |
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<|startoftext|><L>C<mask_1:4>cc(C)cc(Oc2cc(CN)ccn2)c1<mask_1:4> | 2 | 1 | 4 | c1 | 4 | CCOc1cc(C)cc(Oc2cc(CN)ccn2)c1 | Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 | COc1 |
<|startoftext|><L>CCCCn1nc(CC(C)C)c2c(<mask_1:1>N3CCC[C@@](CC)(C(N)=O)C3)ncnc21<mask_1:1> | 0 | 20 | 1 | 1 | CCCCn1nc(CC(C)C)c2c(NN3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | N |
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<|startoftext|><L>CCCCn1<mask_1:6>)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21<mask_1:6> | 7 | 6 | 6 | nc(CC(C | 6 | CCCCn1nc(C(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | nc(C(C |
<|startoftext|><L>CCCCn1nc(CC(C)C)c2c<mask_1:7>N3CCC[C@@](CC)(C(N)=O)C3)ncnc21<mask_1:7> | 1 | 19 | 7 | ( | 7 | CCCCn1nc(CC(C)C)c2c(CC(=O)N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | (CC(=O) |
<|startoftext|><L>CCCCn1nc(CC<mask_1:2>c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21<mask_1:2> | 5 | 11 | 2 | (C)C) | 2 | CCCCn1nc(CCC)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | C) |
<|startoftext|><L>CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)<mask_1:1>c21<mask_1:1> | 3 | 45 | 1 | ncn | 1 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)nc21 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | n |
<|startoftext|><L>CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC<mask_1:4>)(C(N)=O)C3)ncnc21<mask_1:4> | 0 | 33 | 4 | 5 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC(N)=O)(C(N)=O)C3)ncnc21 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | (N)=O |
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<|startoftext|><L>CCCCn1n<mask_1:5>C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21<mask_1:5> | 7 | 7 | 5 | c(CC(C) | 5 | CCCCn1nc(CCOC)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | c(CCO |
<|startoftext|><L>CCCCn1nc(CC(C)C)c2c(N3CCC[<mask_1:2>(CC)(C(N)=O)C3)ncnc21<mask_1:2> | 4 | 26 | 2 | C@@] | 2 | CCCCn1nc(CC(C)C)c2c(N3CCC[C](CC)(C(N)=O)C3)ncnc21 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | C] |
<|startoftext|><L>CCCCn1nc(CC(C)C)c2c(<mask_1:6>3CCC[C@@](CC)(C(N)=O)C3)ncnc21<mask_1:6> | 1 | 20 | 6 | N | 6 | CCCCn1nc(CC(C)C)c2c(C(=O)N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | C(=O)N |
<|startoftext|><L>CCCCn1nc(CC(C)C)c2c(N3CCC[C<mask_1:4>C)(C(N)=O)C3)ncnc21<mask_1:4> | 5 | 27 | 4 | @@](C | 4 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](C)(C(N)=O)C3)ncnc21 | CCCCn1nc(CC(C)C)c2c(N3CCC[C@@](CC)(C(N)=O)C3)ncnc21 | @@]( |
<|startoftext|><L>O=S(=O)(NCCCC[C@H]1CCCO1)<mask_1:3>CC1<mask_1:3> | 4 | 25 | 3 | N1CC | 3 | O=S(=O)(NCCCC[C@H]1CCCO1)NC1CC1 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 | NC1 |
<|startoftext|><L>O=S(=O)<mask_1:1>CC[C@H]1CCCO1)N1CCCC1<mask_1:1> | 4 | 7 | 1 | (NCC | 1 | O=S(=O)(CC[C@H]1CCCO1)N1CCCC1 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 | ( |
<|startoftext|><L>O=S(=O)(NCCCC[C@H]1CCCO1)<mask_1:2>CC1<mask_1:2> | 4 | 25 | 2 | N1CC | 2 | O=S(=O)(NCCCC[C@H]1CCCO1)C1CC1 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 | C1 |
<|startoftext|><L>O=S(=O)(NCCCC<mask_1:4>H]1CCCO1)N1CCCC1<mask_1:4> | 3 | 13 | 4 | [C@ | 4 | O=S(=O)(NCCCC[C@@H]1CCCO1)N1CCCC1 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 | [C@@ |
<|startoftext|><L>O=S(=O)(<mask_1:4>NCCCC[C@H]1CCCO1)N1CCCC1<mask_1:4> | 0 | 8 | 4 | 4 | O=S(=O)(NCCCNCCCC[C@H]1CCCO1)N1CCCC1 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 | NCCC |
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<|startoftext|><L>O=S(=O)(NCCCC[<mask_1:2>]1CCCO1)N1CCCC1<mask_1:2> | 3 | 14 | 2 | C@H | 2 | O=S(=O)(NCCCC[C@]1CCCO1)N1CCCC1 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 | C@ |
<|startoftext|><L>O=S(=O)(NCCCC[C@H]1CCCO1)N1<mask_1:2>1<mask_1:2> | 4 | 27 | 2 | CCCC | 2 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CC1 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 | CC |
<|startoftext|><L>O=S(=O)(NCCCC<mask_1:2>[C@H]1CCCO1)N1CCCC1<mask_1:2> | 0 | 13 | 2 | 2 | O=S(=O)(NCCCCOC[C@H]1CCCO1)N1CCCC1 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 | OC |
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<|startoftext|><L>O=S(=O)(NCCCC[C@H]1C<mask_1:1>1)N1CCCC1<mask_1:1> | 3 | 20 | 1 | CCO | 1 | O=S(=O)(NCCCC[C@H]1CO1)N1CCCC1 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 | O |
<|startoftext|><L>O=S(=O)(NCCCC[C@H]1CCCO1)N1CC<mask_1:2>C1<mask_1:2> | 1 | 29 | 2 | C | 2 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCOCC1 | O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 | OC |
<|startoftext|><L><mask_1:4>CCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1<mask_1:4> | 6 | 0 | 4 | CCOCCO | 4 | CCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | CCCO |
<|startoftext|><L>CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)N<mask_1:2>ccc1<mask_1:2> | 5 | 38 | 2 | Cc1cc | 2 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)Nc1ccc1 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | c1 |
<|startoftext|><L>CC<mask_1:4>CCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1<mask_1:4> | 1 | 2 | 4 | O | 4 | CC(C)OCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | (C)O |
<|startoftext|><L>CCOCCOCCS[C@H<mask_1:7>](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1<mask_1:7> | 0 | 13 | 7 | 7 | CCOCCOCCS[C@H](C)[C@](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | ](C)[C@ |
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<|startoftext|><L>CC<mask_1:6>OCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1<mask_1:6> | 0 | 2 | 6 | 6 | CCCCCCCCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | CCCCCC |
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<|startoftext|><L>CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)<mask_1:7>NCc1ccccc1<mask_1:7> | 5 | 32 | 7 | C(=O) | 7 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCNCc1ccccc1 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | C(=O)NC |
<|startoftext|><L>CCOCC<mask_1:2>H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1<mask_1:2> | 7 | 5 | 2 | OCCS[C@ | 2 | CCOCC[CH](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | [C |
<|startoftext|><L>CCOCCOCCS[C@H](<mask_1:3>)NCc1ccccc1)C(=O)NCc1ccccc1<mask_1:3> | 5 | 15 | 3 | CC(=O | 3 | CCOCCOCCS[C@H](C(C)NCc1ccccc1)C(=O)NCc1ccccc1 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | C(C |
<|startoftext|><L>CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)<mask_1:7>=O)NCc1ccccc1<mask_1:7> | 2 | 32 | 7 | C( | 7 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)C(=O)NCc1ccccc1 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | C(=O)C( |
<|startoftext|><L>CCOCCOCCS[C@H](CC(=O)NCc1cccc<mask_1:6>=O)NCc1ccccc1<mask_1:6> | 5 | 29 | 6 | c1)C( | 6 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)CC(=O)NCc1ccccc1 | CCOCCOCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 | c1)CC( |
<|startoftext|><L>O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)c<mask_1:6>2)N1<mask_1:6> | 5 | 37 | 6 | c3)CC | 6 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3F)CC2)N1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | c3F)CC |
<|startoftext|><L>O=C1C[C@H](c2ccccc2)C2<mask_1:6>CN(Cc3ccc(F)cc3)CC2)N1<mask_1:6> | 2 | 22 | 6 | (C | 6 | O=C1C[C@H](c2ccccc2)C2(C(=O)CN(Cc3ccc(F)cc3)CC2)N1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | (C(=O) |
<|startoftext|><L>O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc<mask_1:4>F)cc3)CC2)N1<mask_1:4> | 1 | 33 | 4 | ( | 4 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(OCCF)cc3)CC2)N1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | (OCC |
<|startoftext|><L>O=C1C[C@H](c2c<mask_1:5>ccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1<mask_1:5> | 1 | 14 | 5 | c | 5 | O=C1C[C@H](c2cc(Cl)ccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | c(Cl) |
<|startoftext|><L>O=C1C[C@H](c2ccccc2)C2<mask_1:6>(Cc3ccc(F)cc3)CC2)N1<mask_1:6> | 4 | 22 | 6 | (CCN | 6 | O=C1C[C@H](c2ccccc2)C2(CCN=C(Cc3ccc(F)cc3)CC2)N1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | (CCN=C |
<|startoftext|><L>O=C1C[C@H<mask_1:5>c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1<mask_1:5> | 2 | 9 | 5 | ]( | 5 | O=C1C[C@H](NCCc2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | ](NCC |
<|startoftext|><L>O<mask_1:1>1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1<mask_1:1> | 2 | 1 | 1 | =C | 1 | OC1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | C |
<|startoftext|><L>O=C1C[C@H](c2c<mask_1:1>2)C2(CCN(Cc3ccc(F)cc3)CC2)N1<mask_1:1> | 4 | 14 | 1 | cccc | 1 | O=C1C[C@H](c2cs2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | s |
<|startoftext|><L>O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N<mask_1:1>1<mask_1:1> | 0 | 45 | 1 | 1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)NN1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | N |
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<|startoftext|><L>O=C1C[C@H](c2ccccc2)C2(CC<mask_1:3>3ccc(F)cc3)CC2)N1<mask_1:3> | 4 | 25 | 3 | N(Cc | 3 | O=C1C[C@H](c2ccccc2)C2(CCN(c3ccc(F)cc3)CC2)N1 | O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 | N(c |
<|startoftext|><L>Cc1ccc(C(=<mask_1:5>C[C@H]2CCCCO2)c(=O)[nH]1<mask_1:5> | 3 | 10 | 5 | O)N | 5 | Cc1ccc(C(=O)NCCC[C@H]2CCCCO2)c(=O)[nH]1 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | O)NCC |
<|startoftext|><L>Cc1ccc(C(=O)NC[C@H]2CCC<mask_1:4>(=O)[nH]1<mask_1:4> | 5 | 23 | 4 | CO2)c | 4 | Cc1ccc(C(=O)NC[C@H]2CCCO2)c(=O)[nH]1 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | O2)c |
<|startoftext|><L>Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O<mask_1:3>[nH]1<mask_1:3> | 1 | 31 | 3 | ) | 3 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)cc[nH]1 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | )cc |
<|startoftext|><L>Cc1ccc(C(=O)NC[C@<mask_1:3>CCO2)c(=O)[nH]1<mask_1:3> | 5 | 17 | 3 | H]2CC | 3 | Cc1ccc(C(=O)NC[C@H]2CCO2)c(=O)[nH]1 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | H]2 |
<|startoftext|><L>Cc1ccc(C<mask_1:2>C[C@H]2CCCCO2)c(=O)[nH]1<mask_1:2> | 5 | 8 | 2 | (=O)N | 2 | Cc1ccc(CNCC[C@H]2CCCCO2)c(=O)[nH]1 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | NC |
<|startoftext|><L>Cc1ccc(C(=O)NC[C@H<mask_1:5>CCO2)c(=O)[nH]1<mask_1:5> | 4 | 18 | 5 | ]2CC | 5 | Cc1ccc(C(=O)NC[C@H]2CCOCCO2)c(=O)[nH]1 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | ]2CCO |
<|startoftext|><L><mask_1:5>1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1<mask_1:5> | 2 | 0 | 5 | Cc | 4 | COCc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | COCc |
<|startoftext|><L>Cc1ccc(C(<mask_1:4>[C@H]2CCCCO2)c(=O)[nH]1<mask_1:4> | 5 | 9 | 4 | =O)NC | 4 | Cc1ccc(C(=O)O[C@H]2CCCCO2)c(=O)[nH]1 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | =O)O |
<|startoftext|><L>Cc1ccc(<mask_1:4>O)NC[C@H]2CCCCO2)c(=O)[nH]1<mask_1:4> | 3 | 7 | 4 | C(= | 4 | Cc1ccc(NC(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | NC(= |
<|startoftext|><L>Cc1ccc(C(=O)NC[C@H]2<mask_1:3>CCCO2)c(=O)[nH]1<mask_1:3> | 1 | 20 | 3 | C | 3 | Cc1ccc(C(=O)NC[C@H]2CN=CCCO2)c(=O)[nH]1 | Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(=O)[nH]1 | CN= |
<|startoftext|><L>CC(C)CN1CC2(CCN(C(=O)[C@@<mask_1:4>4ccccc43)CC2)CC1=O<mask_1:4> | 6 | 25 | 4 | H]3CCc | 4 | CC(C)CN1CC2(CCN(C(=O)[C@@H]3c4ccccc43)CC2)CC1=O | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | H]3c |
<|startoftext|><L>CC(C)CN1CC2(CCN(C(=O)[C<mask_1:3>3CCc4ccccc43)CC2)CC1=O<mask_1:3> | 4 | 23 | 3 | @@H] | 3 | CC(C)CN1CC2(CCN(C(=O)[C@H]3CCc4ccccc43)CC2)CC1=O | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | @H] |
<|startoftext|><L>CC(C)CN1C<mask_1:6>CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O<mask_1:6> | 3 | 9 | 6 | C2( | 6 | CC(C)CN1CCN(CC2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | CN(CC2 |
<|startoftext|><L>CC(C)CN1CC2(CCN(C(=O)[C@@H<mask_1:5>3CCc4ccccc43)CC2)CC1=O<mask_1:5> | 1 | 26 | 5 | ] | 5 | CC(C)CN1CC2(CCN(C(=O)[C@@H](C)N3CCc4ccccc43)CC2)CC1=O | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | ](C)N |
<|startoftext|><L>CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4cc<mask_1:5>CC2)CC1=O<mask_1:5> | 6 | 34 | 5 | ccc43) | 6 | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | ccc43) |
<|startoftext|><L>CC(C)CN1C<mask_1:3>2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O<mask_1:3> | 1 | 9 | 3 | C | 3 | CC(C)CN1CCOC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | COC |
<|startoftext|><L>CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4cccc<mask_1:4>3)CC2)CC1=O<mask_1:4> | 2 | 36 | 4 | c4 | 4 | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc4CN3)CC2)CC1=O | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | c4CN |
<|startoftext|><L>CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4cc<mask_1:7>CC2)CC1=O<mask_1:7> | 6 | 34 | 7 | ccc43) | 7 | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)CC1=O | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | ccc4O3) |
<|startoftext|><L>CC(C)CN1CC2(CCN(C(=O)[C<mask_1:3>H]3CCc4ccccc43)CC2)CC1=O<mask_1:3> | 2 | 23 | 3 | @@ | 2 | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | @@ |
<|startoftext|><L>CC(C)CN1CC2(CC<mask_1:6>(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O<mask_1:6> | 1 | 14 | 6 | N | 6 | CC(C)CN1CC2(CCC(=O)N(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | CC(C)CN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1=O | C(=O)N |
<|startoftext|><L>O=C(NCc1ccc(N2CCOCC2)nc<mask_1:3>)c1ccc(O)nc1<mask_1:3> | 1 | 23 | 3 | 1 | 3 | O=C(NCc1ccc(N2CCOCC2)nc1Cl)c1ccc(O)nc1 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | 1Cl |
<|startoftext|><L>O=C(NCc1ccc(N2CCOCC2)nc1)c1<mask_1:3>O)nc1<mask_1:3> | 4 | 27 | 3 | ccc( | 3 | O=C(NCc1ccc(N2CCOCC2)nc1)c1cn(O)nc1 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | cn( |
<|startoftext|><L>O=C(NCc1cc<mask_1:4>c(N2CCOCC2)nc1)c1ccc(O)nc1<mask_1:4> | 0 | 10 | 4 | 4 | O=C(NCc1cc(Cl)c(N2CCOCC2)nc1)c1ccc(O)nc1 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | (Cl) |
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<|startoftext|><L>O=C(NCc1ccc(N2CCOCC2)n<mask_1:5>c1ccc(O)nc1<mask_1:5> | 3 | 22 | 5 | c1) | 5 | O=C(NCc1ccc(N2CCOCC2)nc1Cl)c1ccc(O)nc1 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | c1Cl) |
<|startoftext|><L>O=C(NCc1ccc(N2CCO<mask_1:2>CC2)nc1)c1ccc(O)nc1<mask_1:2> | 0 | 17 | 2 | 2 | O=C(NCc1ccc(N2CCOCCCC2)nc1)c1ccc(O)nc1 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | CC |
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<|startoftext|><L>O=C(NCc1ccc(N2<mask_1:4>COCC2)nc1)c1ccc(O)nc1<mask_1:4> | 1 | 14 | 4 | C | 4 | O=C(NCc1ccc(N2CCCCCOCC2)nc1)c1ccc(O)nc1 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | CCCC |
<|startoftext|><L>O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(<mask_1:3>1<mask_1:3> | 4 | 31 | 3 | O)nc | 3 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)o1 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | O)o |
<|startoftext|><L>O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(<mask_1:4>c1<mask_1:4> | 3 | 31 | 4 | O)n | 4 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(Cl)nc1 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | Cl)n |
<|startoftext|><L>O=C(<mask_1:5>Cc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1<mask_1:5> | 1 | 4 | 5 | N | 5 | O=C(NCCCOCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | NCCCO |
<|startoftext|><L>O=C(NC<mask_1:4>1ccc(N2CCOCC2)nc1)c1ccc(O)nc1<mask_1:4> | 1 | 6 | 4 | c | 4 | O=C(NCCCNc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(O)nc1 | CCNc |