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| first_mask_count
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| first_mask_gen_count
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| generated_smiles
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<|startoftext|><L>Cc1ccc(F)c(N<mask_1:3>CC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1<mask_1:3> | 2 | 12 | 3 | 2C | 3 | Cc1ccc(F)c(N2CCCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | 2CC |
<|startoftext|><L>Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O<mask_1:5>)c1<mask_1:5> | 6 | 40 | 5 | )=O)C2 | 6 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | )=O)C2 |
<|startoftext|><L>Cc1ccc(F)c(N2CCC[C@<mask_1:6>N[C@H](C)CS(C)(=O)=O)C2)c1<mask_1:6> | 4 | 19 | 6 | @H]( | 6 | Cc1ccc(F)c(N2CCC[C@@H](CCN[C@H](C)CS(C)(=O)=O)C2)c1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | @H](CC |
<|startoftext|><L>Cc1ccc(F)c(N2CC<mask_1:4>H](N[C@H](C)CS(C)(=O)=O)C2)c1<mask_1:4> | 5 | 15 | 4 | C[C@@ | 4 | Cc1ccc(F)c(N2CC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | [C@@ |
<|startoftext|><L>Cc1ccc(F)<mask_1:5>[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1<mask_1:5> | 7 | 9 | 5 | c(N2CCC | 5 | Cc1ccc(F)c(N2C[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | c(N2C |
<|startoftext|><L>Cc1ccc(F)c(N2<mask_1:6>C[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1<mask_1:6> | 2 | 13 | 6 | CC | 6 | Cc1ccc(F)c(N2CCN(C)C[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | CCN(C) |
<|startoftext|><L>Cc1ccc(F)c(N2CCC[C@@H](N[C@H](<mask_1:4>C)(=O)=O)C2)c1<mask_1:4> | 5 | 30 | 4 | C)CS( | 4 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)S(C)(=O)=O)C2)c1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | C)S( |
<|startoftext|><L>Cc1ccc(F)c(N2CCC<mask_1:6>@@H](N[C@H](C)CS(C)(=O)=O)C2)c1<mask_1:6> | 2 | 16 | 6 | [C | 6 | Cc1ccc(F)c(N2CCCN(C)[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | N(C)[C |
<|startoftext|><L>Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O<mask_1:1>)C2)c1<mask_1:1> | 3 | 40 | 1 | )=O | 1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O))C2)c1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | ) |
<|startoftext|><L>Cc1ccc(F)c(<mask_1:5>N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1<mask_1:5> | 0 | 11 | 5 | 5 | Cc1ccc(F)c(C(=O)N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)c1 | C(=O) |
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<|startoftext|><L>CCOC(=O)CN(CC(C)C)C(=O)[C@H<mask_1:5>CCN(S(=O)(=O)c2ccc(Cl)cc2)C1<mask_1:5> | 3 | 27 | 5 | ]1C | 5 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CC=CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | ]1CC= |
<|startoftext|><L>CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)<mask_1:5>cc(Cl)cc2)C1<mask_1:5> | 3 | 43 | 5 | c2c | 5 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)CCc2ccc(Cl)cc2)C1 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | CCc2c |
<|startoftext|><L>C<mask_1:7>O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1<mask_1:7> | 5 | 1 | 7 | COC(= | 7 | COCCNC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | OCCNC(= |
<|startoftext|><L>CCOC(=O)CN(CC(C)C)C(=O<mask_1:6>[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1<mask_1:6> | 1 | 22 | 6 | ) | 6 | CCOC(=O)CN(CC(C)C)C(=O)CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | )CN(C) |
<|startoftext|><L>CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(<mask_1:5>)cc2)C1<mask_1:5> | 2 | 49 | 5 | Cl | 5 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)C)cc2)C1 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | C(C)C |
<|startoftext|><L>CCOC(=O)CN(CC(C)C)C(<mask_1:5>O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1<mask_1:5> | 1 | 20 | 5 | = | 5 | CCOC(=O)CN(CC(C)C)C(=O)C(O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | =O)C( |
<|startoftext|><L>CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN<mask_1:5>=O)(=O)c2ccc(Cl)cc2)C1<mask_1:5> | 3 | 33 | 5 | (S( | 5 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(CNS(=O)(=O)c2ccc(Cl)cc2)C1 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | (CNS( |
<|startoftext|><L>C<mask_1:6>COC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1<mask_1:6> | 0 | 1 | 6 | 6 | CC(=O)NCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | C(=O)N |
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<|startoftext|><L>CCOC(=<mask_1:4>CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1<mask_1:4> | 5 | 6 | 4 | O)CN( | 4 | CCOC(=O)N(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | O)N( |
<|startoftext|><L>CCOC(=O)CN(CC(C)C)C<mask_1:7>@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1<mask_1:7> | 6 | 19 | 7 | (=O)[C | 7 | CCOC(=O)CN(CC(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | (=O)[C@ |
<|startoftext|><L>COc1ccc<mask_1:5>(=O)c2ccccc2NC(=O)COc2ccccc2C)c1<mask_1:5> | 4 | 7 | 5 | c(NC | 5 | COc1cccc(CNC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | c(CNC |
<|startoftext|><L>C<mask_1:5>cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1<mask_1:5> | 3 | 1 | 5 | Oc1 | 5 | CCCOc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | CCOc1 |
<|startoftext|><L>COc1cccc(NC(=O)c2<mask_1:5>ccc2NC(=O)COc2ccccc2C)c1<mask_1:5> | 2 | 17 | 5 | cc | 5 | COc1cccc(NC(=O)c2c(C)cccc2NC(=O)COc2ccccc2C)c1 | COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | c(C)c |
<|startoftext|><L>COc1cccc(NC(=O)c2ccccc2NC(=O)C<mask_1:3>cccc2C)c1<mask_1:3> | 4 | 30 | 3 | Oc2c | 3 | COc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccccc2C)c1 | COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | c2c |
<|startoftext|><L>COc1cc<mask_1:4>c(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1<mask_1:4> | 1 | 6 | 4 | c | 4 | COc1ccc(C)c(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | c(C) |
<|startoftext|><L>COc1cccc<mask_1:6>(=O)c2ccccc2NC(=O)COc2ccccc2C)c1<mask_1:6> | 3 | 8 | 6 | (NC | 6 | COc1cccc(OCCNC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | (OCCNC |
<|startoftext|><L>COc1cccc(<mask_1:5>C(=O)c2ccccc2NC(=O)COc2ccccc2C)c1<mask_1:5> | 1 | 9 | 5 | N | 5 | COc1cccc(CN(C)C(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | CN(C) |
<|startoftext|><L>COc1cccc(NC(=O)c2ccccc2<mask_1:3>COc2ccccc2C)c1<mask_1:3> | 6 | 23 | 3 | NC(=O) | 3 | COc1cccc(NC(=O)c2ccccc2OCCCOc2ccccc2C)c1 | COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | OCC |
<|startoftext|><L>COc1cccc(NC(=O)c2ccccc2NC(=O<mask_1:4>Oc2ccccc2C)c1<mask_1:4> | 2 | 28 | 4 | )C | 4 | COc1cccc(NC(=O)c2ccccc2NC(=O)CCCOc2ccccc2C)c1 | COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | )CCC |
<|startoftext|><L><mask_1:6>ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1<mask_1:6> | 5 | 0 | 6 | COc1c | 6 | N#Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C)c1 | N#Cc1c |
<|startoftext|><L>CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2cc<mask_1:6>)n2C)C1<mask_1:6> | 3 | 35 | 6 | c(C | 6 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2cc(C)c(C)n2C)C1 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | (C)c(C |
<|startoftext|><L>C<mask_1:4>O[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1<mask_1:4> | 0 | 1 | 4 | 4 | C=CCCO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | =CCC |
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<|startoftext|><L>CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C<mask_1:4>1<mask_1:4> | 6 | 38 | 4 | )n2C)C | 4 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)s2)1 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | )s2) |
<|startoftext|><L>CO[C@H]1C[C@@H](C<mask_1:4>O)N(C(=O)c2ccc(C)n2C)C1<mask_1:4> | 5 | 17 | 4 | C(=O) | 4 | CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(C)n2C)C1 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | (N)= |
<|startoftext|><L>CO[C@H]1C[C@@H](CC(=O)O)N<mask_1:4>(=O)c2ccc(C)n2C)C1<mask_1:4> | 2 | 25 | 4 | (C | 4 | CO[C@H]1C[C@@H](CC(=O)O)N(CCC(=O)c2ccc(C)n2C)C1 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | (CCC |
<|startoftext|><L><mask_1:6>H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1<mask_1:6> | 5 | 0 | 6 | CO[C@ | 6 | CCO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | CCO[C@ |
<|startoftext|><L>CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2<mask_1:2>C)n2C)C1<mask_1:2> | 4 | 33 | 2 | ccc( | 2 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2c(C)n2C)C1 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | c( |
<|startoftext|><L>CO[C@H]1C[C@@H]<mask_1:4>C(=O)O)N(C(=O)c2ccc(C)n2C)C1<mask_1:4> | 2 | 15 | 4 | (C | 4 | CO[C@H]1C[C@@H](COCC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | (COC |
<|startoftext|><L>CO[C@H]1C[C@@H]<mask_1:5>)O)N(C(=O)c2ccc(C)n2C)C1<mask_1:5> | 6 | 15 | 5 | (CC(=O | 5 | CO[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc(C)n2C)C1 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | (C(=O |
<|startoftext|><L>CO[C@H]1C[C@@H](CC(=O)<mask_1:5>O)N(C(=O)c2ccc(C)n2C)C1<mask_1:5> | 0 | 22 | 5 | 5 | CO[C@H]1C[C@@H](CC(=O)O)C(=O)N(C(=O)c2ccc(C)n2C)C1 | CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 | O)C(= |
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<|startoftext|><L>CCOc1ccc(NC(=O)CCCN2C(=O)/C(<mask_1:6>ccc(OC)c(OC)c3)SC2=S)cc1<mask_1:6> | 5 | 28 | 6 | =C/c3 | 6 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/Nc3ccc(OC)c(OC)c3)SC2=S)cc1 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | =C/Nc3 |
<|startoftext|><L>CCOc1ccc(NC(=<mask_1:8>)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1<mask_1:8> | 1 | 13 | 8 | O | 8 | CCOc1ccc(NC(=O)COC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | O)COC(=O |
<|startoftext|><L>CCOc1ccc(NC(=O)CCCN2C(=O)<mask_1:3>c3ccc(OC)c(OC)c3)SC2=S)cc1<mask_1:3> | 6 | 25 | 3 | /C(=C/ | 3 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(c3ccc(OC)c(OC)c3)SC2=S)cc1 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | /C( |
<|startoftext|><L>CCOc1ccc(NC(=O)<mask_1:2>N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1<mask_1:2> | 3 | 15 | 2 | CCC | 2 | CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | CC |
<|startoftext|><L>CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(<mask_1:6>)SC2=S)cc1<mask_1:6> | 5 | 42 | 6 | OC)c3 | 6 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3C)SC2=S)cc1 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | OC)c3C |
<|startoftext|><L>CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/<mask_1:6>C)c(OC)c3)SC2=S)cc1<mask_1:6> | 7 | 31 | 6 | c3ccc(O | 6 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)c(OC)c3)SC2=S)cc1 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | c3ccc( |
<|startoftext|><L>CCOc1ccc(NC(=O)CCCN2C(=O)/C(<mask_1:7>c3ccc(OC)c(OC)c3)SC2=S)cc1<mask_1:7> | 3 | 28 | 7 | =C/ | 7 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | =C/C=C/ |
<|startoftext|><L>CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc<mask_1:2>OC)c3)SC2=S)cc1<mask_1:2> | 6 | 36 | 2 | (OC)c( | 2 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | c( |
<|startoftext|><L>CCOc1ccc<mask_1:5>CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1<mask_1:5> | 7 | 8 | 5 | (NC(=O) | 5 | CCOc1ccc(OCCOCCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | (OCCO |
<|startoftext|><L>CCOc1ccc(NC(=O)CCCN2C(=O<mask_1:1>C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1<mask_1:1> | 2 | 24 | 1 | )/ | 1 | CCOc1ccc(NC(=O)CCCN2C(=O)C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 | ) |
<|startoftext|><L>OCc1nc(N[<mask_1:3>CO)Cc2ccc(Cl)cc2)c2ccccc2n1<mask_1:3> | 6 | 9 | 3 | C@@H]( | 3 | OCc1nc(N[C](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | C]( |
<|startoftext|><L>OCc1nc<mask_1:5>N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1<mask_1:5> | 1 | 6 | 5 | ( | 5 | OCc1nc(NCCCN[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | (NCCC |
<|startoftext|><L>OCc1nc(N[C@@H]<mask_1:6>)Cc2ccc(Cl)cc2)c2ccccc2n1<mask_1:6> | 3 | 14 | 6 | (CO | 5 | OCc1nc(N[C@@H](CCCO)Cc2ccc(Cl)cc2)c2ccccc2n1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | (CCCO |
<|startoftext|><L>OCc1nc(N[C@@H](CO)Cc2ccc(<mask_1:6>c2)c2ccccc2n1<mask_1:6> | 4 | 25 | 6 | Cl)c | 6 | OCc1nc(N[C@@H](CO)Cc2ccc(F)c(F)c2)c2ccccc2n1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | F)c(F) |
<|startoftext|><L>OCc1nc(N[C@@H](<mask_1:5>CO)Cc2ccc(Cl)cc2)c2ccccc2n1<mask_1:5> | 0 | 15 | 5 | 5 | OCc1nc(N[C@@H](CO)C(CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | CO)C( |
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<|startoftext|><L>OCc1nc(N[C@<mask_1:2>(CO)Cc2ccc(Cl)cc2)c2ccccc2n1<mask_1:2> | 3 | 11 | 2 | @H] | 2 | OCc1nc(N[C@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | H] |
<|startoftext|><L>OCc1nc(N[C@@H](<mask_1:6>)Cc2ccc(Cl)cc2)c2ccccc2n1<mask_1:6> | 2 | 15 | 6 | CO | 6 | OCc1nc(N[C@@H](CO)C(O)Cc2ccc(Cl)cc2)c2ccccc2n1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | CO)C(O |
<|startoftext|><L>OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)<mask_1:1>ccc2n1<mask_1:1> | 4 | 32 | 1 | c2cc | 1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)2ccc2n1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | 2 |
<|startoftext|><L>OCc1nc(N[C@@H](<mask_1:4>O)Cc2ccc(Cl)cc2)c2ccccc2n1<mask_1:4> | 1 | 15 | 4 | C | 4 | OCc1nc(N[C@@H](COCCO)Cc2ccc(Cl)cc2)c2ccccc2n1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | COCC |
<|startoftext|><L>OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)<mask_1:2>cc2n1<mask_1:2> | 5 | 32 | 2 | c2ccc | 2 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)n2cc2n1 | OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | n2 |
<|startoftext|><L>COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3<mask_1:6>C1=O<mask_1:6> | 5 | 34 | 6 | )CC2) | 6 | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)CC1=O | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | )CC2)C |
<|startoftext|><L>COCCN1CC[C@@]2(CCCN(C(=O)<mask_1:2>C3CC(C)C3)CC2)C1=O<mask_1:2> | 0 | 25 | 2 | 2 | COCCN1CC[C@@]2(CCCN(C(=O)COC3CC(C)C3)CC2)C1=O | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | CO |
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<|startoftext|><L>COCCN1C<mask_1:4>2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O<mask_1:4> | 6 | 7 | 4 | C[C@@] | 4 | COCCN1C[C@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | [C@] |
<|startoftext|><L>COC<mask_1:6>C[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O<mask_1:6> | 4 | 3 | 6 | CN1C | 6 | COCCN1CCOC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | CN1CCO |
<|startoftext|><L>COCCN1CC[C@@]2(CCCN(C(=O)C3CC(<mask_1:6>C)C3)CC2)C1=O<mask_1:6> | 0 | 30 | 6 | 6 | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(OC)=C(C)C3)CC2)C1=O | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | OC)=C( |
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<|startoftext|><L>COCCN1CC[C@@]2(<mask_1:5>CCCN(C(=O)C3CC(C)C3)CC2)C1=O<mask_1:5> | 0 | 15 | 5 | 5 | COCCN1CC[C@@]2(COCCNCCCN(C(=O)C3CC(C)C3)CC2)C1=O | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | COCCN |
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<|startoftext|><L>COCCN1CC[C@@]2(CCCN(C(=O)C3CC<mask_1:3>CC2)C1=O<mask_1:3> | 6 | 29 | 3 | (C)C3) | 3 | COCCN1CC[C@@]2(CCCN(C(=O)C3CCC3)CC2)C1=O | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | C3) |
<|startoftext|><L>COCCN1CC[C@@]2(CCCN(C(=O)C<mask_1:6>C(C)C3)CC2)C1=O<mask_1:6> | 2 | 26 | 6 | 3C | 6 | COCCN1CC[C@@]2(CCCN(C(=O)CN3CCOCC(C)C3)CC2)C1=O | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | N3CCOC |
<|startoftext|><L>COCCN1CC<mask_1:5>C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O<mask_1:5> | 1 | 8 | 5 | [ | 5 | COCCN1CCN(C)[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | N(C)[ |
<|startoftext|><L>COCCN1CC[C@@]2(CCCN(<mask_1:6>)C3CC(C)C3)CC2)C1=O<mask_1:6> | 4 | 20 | 6 | C(=O | 6 | COCCN1CC[C@@]2(CCCN(CCC(=O)C3CC(C)C3)CC2)C1=O | COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O | CCC(=O |
<|startoftext|><L>Cc1ccc(CNC(=O)C(=O)NC(C)C)<mask_1:4>c1<mask_1:4> | 1 | 26 | 4 | c | 4 | Cc1ccc(CNC(=O)C(=O)NC(C)C)c(C)c1 | Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1 | c(C) |
<|startoftext|><L>Cc1cc<mask_1:3>CNC(=O)C(=O)NC(C)C)cc1<mask_1:3> | 2 | 5 | 3 | c( | 3 | Cc1ccc(CCNC(=O)C(=O)NC(C)C)cc1 | Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1 | c(C |
<|startoftext|><L>Cc1ccc(C<mask_1:3>(=O)C(=O)NC(C)C)cc1<mask_1:3> | 2 | 8 | 3 | NC | 3 | Cc1ccc(CCNC(=O)C(=O)NC(C)C)cc1 | Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1 | CNC |
<|startoftext|><L>Cc1ccc(C<mask_1:4>(=O)C(=O)NC(C)C)cc1<mask_1:4> | 2 | 8 | 4 | NC | 4 | Cc1ccc(CCCNC(=O)C(=O)NC(C)C)cc1 | Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1 | CCNC |
<|startoftext|><L>Cc1c<mask_1:1>NC(=O)C(=O)NC(C)C)cc1<mask_1:1> | 4 | 4 | 1 | cc(C | 1 | Cc1c(NC(=O)C(=O)NC(C)C)cc1 | Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1 | ( |
<|startoftext|><L>Cc1ccc(<mask_1:3>NC(=O)C(=O)NC(C)C)cc1<mask_1:3> | 1 | 7 | 3 | C | 3 | Cc1ccc(OCCNC(=O)C(=O)NC(C)C)cc1 | Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1 | OCC |
<|startoftext|><L>Cc1ccc(CNC(=O)C(=O<mask_1:2>(C)C)cc1<mask_1:2> | 3 | 18 | 2 | )NC | 2 | Cc1ccc(CNC(=O)C(=O)N(C)C)cc1 | Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1 | )N |
<|startoftext|><L>Cc1ccc(CNC(=O)C(=O)NC(C)C<mask_1:2>cc1<mask_1:2> | 1 | 25 | 2 | ) | 2 | Cc1ccc(CNC(=O)C(=O)NC(C)Cl)cc1 | Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1 | l) |
<|startoftext|><L>Cc1ccc(CNC(=O)C(=O)NC(C<mask_1:1>)C)cc1<mask_1:1> | 0 | 23 | 1 | 1 | Cc1ccc(CNC(=O)C(=O)NC(CO)C)cc1 | Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1 | O |
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<|startoftext|><L>Cc1ccc(CNC(=O<mask_1:4>=O)NC(C)C)cc1<mask_1:4> | 3 | 13 | 4 | )C( | 4 | Cc1ccc(CNC(=O)CC(=O)NC(C)C)cc1 | Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1 | )CC( |
<|startoftext|><L>C/N=C(/N<mask_1:4>CCCc1nc(C)cs1)NCc1ccccn1<mask_1:4> | 1 | 8 | 4 | C | 4 | C/N=C(/NC(C)CCCc1nc(C)cs1)NCc1ccccn1 | C/N=C(/NCCCCc1nc(C)cs1)NCc1ccccn1 | C(C) |
<|startoftext|><L>C/N=C(/NCCC<mask_1:4>1nc(C)cs1)NCc1ccccn1<mask_1:4> | 2 | 11 | 4 | Cc | 4 | C/N=C(/NCCCCCNc1nc(C)cs1)NCc1ccccn1 | C/N=C(/NCCCCc1nc(C)cs1)NCc1ccccn1 | CCNc |
<|startoftext|><L>C/N=C(<mask_1:3>CCc1nc(C)cs1)NCc1ccccn1<mask_1:3> | 4 | 6 | 3 | /NCC | 3 | C/N=C(/NCCCc1nc(C)cs1)NCc1ccccn1 | C/N=C(/NCCCCc1nc(C)cs1)NCc1ccccn1 | /NC |
<|startoftext|><L>C/N=C(/NC<mask_1:1>c1nc(C)cs1)NCc1ccccn1<mask_1:1> | 3 | 9 | 1 | CCC | 1 | C/N=C(/NCCc1nc(C)cs1)NCc1ccccn1 | C/N=C(/NCCCCc1nc(C)cs1)NCc1ccccn1 | C |
<|startoftext|><L>C/N=C(/N<mask_1:4>CCc1nc(C)cs1)NCc1ccccn1<mask_1:4> | 2 | 8 | 4 | CC | 4 | C/N=C(/NCCCNCCc1nc(C)cs1)NCc1ccccn1 | C/N=C(/NCCCCc1nc(C)cs1)NCc1ccccn1 | CCCN |
<|startoftext|><L>C<mask_1:1>(/NCCCCc1nc(C)cs1)NCc1ccccn1<mask_1:1> | 4 | 1 | 1 | /N=C | 1 | CN(/NCCCCc1nc(C)cs1)NCc1ccccn1 | C/N=C(/NCCCCc1nc(C)cs1)NCc1ccccn1 | N |
<|startoftext|><L>C/N=C(/NCCCCc1nc(C)cs1)<mask_1:2>1ccccn1<mask_1:2> | 3 | 23 | 2 | NCc | 2 | C/N=C(/NCCCCc1nc(C)cs1)Nc1ccccn1 | C/N=C(/NCCCCc1nc(C)cs1)NCc1ccccn1 | Nc |
<|startoftext|><L>C/N=C(/<mask_1:4>CCCCc1nc(C)cs1)NCc1ccccn1<mask_1:4> | 1 | 7 | 4 | N | 4 | C/N=C(/NC#CCCCCc1nc(C)cs1)NCc1ccccn1 | C/N=C(/NCCCCc1nc(C)cs1)NCc1ccccn1 | NC#C |
<|startoftext|><L>C/N=C(/NCCCCc1nc(C)cs1)<mask_1:3>ccccn1<mask_1:3> | 4 | 23 | 3 | NCc1 | 3 | C/N=C(/NCCCCc1nc(C)cs1)Nc1ccccn1 | C/N=C(/NCCCCc1nc(C)cs1)NCc1ccccn1 | Nc1 |
<|startoftext|><L>C/N=C(/NCCCC<mask_1:1>c1nc(C)cs1)NCc1ccccn1<mask_1:1> | 0 | 12 | 1 | 1 | C/N=C(/NCCCCCc1nc(C)cs1)NCc1ccccn1 | C/N=C(/NCCCCc1nc(C)cs1)NCc1ccccn1 | C |
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<|startoftext|><L>CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(<mask_1:7>CCOCC2)ccc1O<mask_1:7> | 9 | 42 | 7 | =O)N2CCN2 | 7 | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCOCC2)ccc1O | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | =O)N2C2 |
<|startoftext|><L>CC<mask_1:5>cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O<mask_1:5> | 3 | 2 | 5 | Oc1 | 5 | CC(C)c1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | (C)c1 |
<|startoftext|><L>CCOc1cc([C@H]2C(C<mask_1:7>)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O<mask_1:7> | 3 | 17 | 7 | (=O | 7 | CCOc1cc([C@H]2C(C(=O)C(C)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | (=O)C(C |
<|startoftext|><L>CCOc1cc([C@H]2C(C<mask_1:7>ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O<mask_1:7> | 6 | 17 | 7 | (=O)c3 | 7 | CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | (=O)Nc3 |
<|startoftext|><L>CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C<mask_1:8>CN2CCOCC2)ccc1O<mask_1:8> | 0 | 48 | 8 | 8 | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C[C@H](C)CN2CCOCC2)ccc1O | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | [C@H](C) |
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<|startoftext|><L>CCOc1c<mask_1:4>H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O<mask_1:4> | 5 | 6 | 4 | c([C@ | 4 | CCOc1cc([CH]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | c([C |
<|startoftext|><L>CCOc1cc([C@H]2C(C(=O)c3<mask_1:9>)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O<mask_1:9> | 6 | 23 | 9 | ccc(OC | 9 | CCOc1cc([C@H]2C(C(=O)c3cc(Cl)c(C)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | cc(Cl)c(C |
<|startoftext|><L>CCOc1<mask_1:7>C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O<mask_1:7> | 9 | 5 | 7 | cc([C@H]2 | 7 | CCOc1cc(C2=CC(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | cc(C2=C |
<|startoftext|><L>CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CC<mask_1:9>cc1O<mask_1:9> | 6 | 53 | 9 | OCC2)c | 9 | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)c(O)cc1O | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | OCC2)c(O) |
<|startoftext|><L>CCOc1cc([C@H]2C(C(=O)c3cc<mask_1:5>)=C(O)C(=O)N2CCN2CCOCC2)ccc1O<mask_1:5> | 9 | 25 | 5 | c(OC)cc3C | 5 | CCOc1cc([C@H]2C(C(=O)c3ccccc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O | ccc3C |