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stringlengths 49
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int64 0
16
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216
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int64 1
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stringlengths 12
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| original_smiles
stringlengths 12
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<|startoftext|><L>CCN(CC(=O)NC(C)C)Cc1ccc(C(=O<mask_1:7>2ccc(Cl)c(C)c2)cc1<mask_1:7> | 3 | 28 | 7 | )Nc | 7 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)N(C)Cc2ccc(Cl)c(C)c2)cc1 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | )N(C)Cc |
<|startoftext|><L>CCN(CC(=O<mask_1:4>)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1<mask_1:4> | 5 | 9 | 4 | )NC(C | 4 | CCN(CC(=O)N(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | )N(C |
<|startoftext|><L>CCN(CC(=O)NC(C<mask_1:7>Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1<mask_1:7> | 3 | 14 | 7 | )C) | 8 | CCN(CC(=O)NC(C)C)C(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | )C)C(=O) |
<|startoftext|><L>CCN(CC(=O)NC(C)C)Cc1c<mask_1:5>(C(=O)Nc2ccc(Cl)c(C)c2)cc1<mask_1:5> | 2 | 21 | 5 | cc | 5 | CCN(CC(=O)NC(C)C)Cc1cc(O)c(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | c(O)c |
<|startoftext|><L><mask_1:5>(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1<mask_1:5> | 6 | 0 | 5 | CCN(CC | 5 | CN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CN(CC |
<|startoftext|><L><mask_1:4>CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1<mask_1:4> | 0 | 0 | 4 | 4 | CCCOCCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CCCO |
|
<|startoftext|><L>CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(<mask_1:3>C)c2)cc1<mask_1:3> | 0 | 41 | 3 | 3 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(COCC)c2)cc1 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | COC |
|
<|startoftext|><L>CCN(CC(=O)NC<mask_1:7>)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1<mask_1:7> | 4 | 12 | 7 | (C)C | 7 | CCN(CC(=O)NC(F)(F)F)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | (F)(F)F |
<|startoftext|><L>CCN(CC(=O)NC(C)<mask_1:7>Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1<mask_1:7> | 2 | 15 | 7 | C) | 7 | CCN(CC(=O)NC(C)(C)C)C#Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | (C)C)C# |
<|startoftext|><L>CCN(C<mask_1:6>=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1<mask_1:6> | 2 | 5 | 6 | C( | 6 | CCN(CCCNC(C=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CCN(CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 | CCNC(C |
<|startoftext|><L>CCOc1cccc(CN2CCCC[C@H]2c2cc<mask_1:4>nc2)c1O<mask_1:4> | 1 | 27 | 4 | c | 4 | CCOc1cccc(CN2CCCC[C@H]2c2ccc(O)nc2)c1O | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1O | c(O) |
<|startoftext|><L>CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)<mask_1:3>O<mask_1:3> | 2 | 32 | 3 | c1 | 3 | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1CO | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1O | c1C |
<|startoftext|><L>CCOc1cccc(CN2CCCC[C@H]2<mask_1:4>cccnc2)c1O<mask_1:4> | 2 | 23 | 4 | c2 | 4 | CCOc1cccc(CN2CCCC[C@H]2CCc2cccnc2)c1O | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1O | CCc2 |
<|startoftext|><L>CCOc1cccc(CN2CCC<mask_1:2>]2c2cccnc2)c1O<mask_1:2> | 5 | 16 | 2 | C[C@H | 2 | CCOc1cccc(CN2CCC[C]2c2cccnc2)c1O | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1O | [C |
<|startoftext|><L>CCOc1cccc(CN2CCCC[C@H<mask_1:4>2cccnc2)c1O<mask_1:4> | 3 | 21 | 4 | ]2c | 4 | CCOc1cccc(CN2CCCC[C@H]2Cc2cccnc2)c1O | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1O | ]2Cc |
<|startoftext|><L>CCOc1cccc(C<mask_1:3>CC[C@H]2c2cccnc2)c1O<mask_1:3> | 4 | 11 | 3 | N2CC | 3 | CCOc1cccc(CN2CCC[C@H]2c2cccnc2)c1O | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1O | N2C |
<|startoftext|><L>CCOc1cccc(CN2C<mask_1:2>C@H]2c2cccnc2)c1O<mask_1:2> | 4 | 14 | 2 | CCC[ | 2 | CCOc1cccc(CN2CC[C@H]2c2cccnc2)c1O | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1O | C[ |
<|startoftext|><L>CCOc1cccc(CN2CCCC[C@H]2<mask_1:2>c2cccnc2)c1O<mask_1:2> | 0 | 23 | 2 | 2 | CCOc1cccc(CN2CCCC[C@H]2CCc2cccnc2)c1O | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1O | CC |
|
<|startoftext|><L>CCOc1cccc(CN2CCCC[C@<mask_1:4>c2cccnc2)c1O<mask_1:4> | 3 | 20 | 4 | H]2 | 4 | CCOc1cccc(CN2CCCC[C@@H]2c2cccnc2)c1O | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1O | @H]2 |
<|startoftext|><L>CCOc<mask_1:3>cccc(CN2CCCC[C@H]2c2cccnc2)c1O<mask_1:3> | 1 | 4 | 3 | 1 | 3 | CCOc1nccccc(CN2CCCC[C@H]2c2cccnc2)c1O | CCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1O | 1nc |
<|startoftext|><L>C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(<mask_1:8>2<mask_1:8> | 6 | 52 | 8 | c1)CCC | 8 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)OCCCO2 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | c1)OCCCO |
<|startoftext|><L>C[C@H](NC(=O)c1ccc(Cl)c(S<mask_1:4>O)N2CCCC2)c1)c1ccc2c(c1)CCC2<mask_1:4> | 6 | 25 | 4 | (=O)(= | 4 | C[C@H](NC(=O)c1ccc(Cl)c(SCC(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | CC(= |
<|startoftext|><L><mask_1:6>[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2<mask_1:6> | 1 | 0 | 6 | C | 6 | CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | CC(C)C |
<|startoftext|><L>C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N<mask_1:5>c1)c1ccc2c(c1)CCC2<mask_1:5> | 7 | 34 | 5 | 2CCCC2) | 5 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc2c(c1)CCC2 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | (C)C) |
<|startoftext|><L>C[C@H]<mask_1:4>NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2<mask_1:4> | 1 | 6 | 4 | ( | 4 | C[C@H](NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | (NCC |
<|startoftext|><L>C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)<mask_1:6>)c1ccc2c(c1)CCC2<mask_1:6> | 2 | 41 | 6 | c1 | 6 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(N)c1ccc2c(c1)CCC2 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | c1)C(N |
<|startoftext|><L>C[<mask_1:2>(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2<mask_1:2> | 4 | 2 | 2 | C@H] | 2 | C[C](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | C] |
<|startoftext|><L>C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)<mask_1:5>)c1)c1ccc2c(c1)CCC2<mask_1:5> | 7 | 33 | 5 | N2CCCC2 | 5 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc2c(c1)CCC2 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | N(C)C |
<|startoftext|><L>C[C@H]<mask_1:8>O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2<mask_1:8> | 5 | 6 | 8 | (NC(= | 8 | C[C@H](N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | (N(C)C(= |
<|startoftext|><L>C[C@H](NC(=O)c1ccc(Cl)c(S(=O<mask_1:7>=O)N2CCCC2)c1)c1ccc2c(c1)CCC2<mask_1:7> | 2 | 28 | 7 | )( | 7 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)C(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 | )(=O)C( |
<|startoftext|><L>O=C<mask_1:4>](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1<mask_1:4> | 7 | 3 | 4 | 1CC[C@H | 4 | O=C1[C@](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | 1[C@ |
<|startoftext|><L>O=C1CC[C@H](N2<mask_1:3>(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1<mask_1:3> | 4 | 14 | 3 | Cc3c | 3 | O=C1CC[C@H](N2c3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | c3c |
<|startoftext|><L>O=C1CC[C@H](N2Cc3c<mask_1:7>O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1<mask_1:7> | 6 | 18 | 7 | (NCC(= | 7 | O=C1CC[C@H](N2Cc3c(CCNC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | (CCNC(= |
<|startoftext|><L>O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H<mask_1:6>(c5ccccc5)C4)cccc3C2=O)C(=O)N1<mask_1:6> | 1 | 34 | 6 | ] | 6 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](CO)C(c5ccccc5)C4)cccc3C2=O)C(=O)N1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | ](CO)C |
<|startoftext|><L>O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2<mask_1:1>1<mask_1:1> | 9 | 55 | 1 | =O)C(=O)N | 1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2)1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | ) |
<|startoftext|><L>O=C1CC[C@H](N2Cc3c(NCC(=O<mask_1:6>CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1<mask_1:6> | 3 | 25 | 6 | )N4 | 6 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CCOCC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | )N4CCO |
<|startoftext|><L>O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O<mask_1:3>N1<mask_1:3> | 6 | 57 | 3 | )C(=O) | 3 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C=N1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | )C= |
<|startoftext|><L>O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[<mask_1:6>ccccc5)C4)cccc3C2=O)C(=O)N1<mask_1:6> | 7 | 31 | 6 | C@H](c5 | 5 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | C](c5 |
<|startoftext|><L>O=C1C<mask_1:5>(N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1<mask_1:5> | 6 | 5 | 5 | C[C@H] | 5 | O=C1C[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | [C@H] |
<|startoftext|><L>O=C1CC[C@H](N2Cc3c(NCC(=<mask_1:9>CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1<mask_1:9> | 4 | 24 | 9 | O)N4 | 9 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4[C@H]CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC[C@H](c5ccccc5)C4)cccc3C2=O)C(=O)N1 | O)N4[C@H] |
<|startoftext|><L>O=C1CC[C@@H](N2Cc3ccc(CNC(<mask_1:9>O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1<mask_1:9> | 1 | 26 | 9 | = | 9 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)CCNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | =O)CCNC(= |
<|startoftext|><L>O=C1CC[C@@H](N2Cc3ccc(CN<mask_1:8>O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1<mask_1:8> | 3 | 24 | 8 | C(= | 8 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)C(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | C(=O)C(= |
<|startoftext|><L>O=C1CC[C@@H](N2Cc3ccc(C<mask_1:5>C(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1<mask_1:5> | 1 | 23 | 5 | N | 5 | O=C1CC[C@@H](N2Cc3ccc(C(=O)NC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | (=O)N |
<|startoftext|><L>O=C1CC[C@@H](N2Cc3ccc(CN<mask_1:6>H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1<mask_1:6> | 8 | 24 | 6 | C(=O)[C@ | 6 | O=C1CC[C@@H](N2Cc3ccc(CN(C)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | (C)[C@ |
<|startoftext|><L>O=C1CC[C@@H](N2Cc3<mask_1:8>)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1<mask_1:8> | 10 | 18 | 8 | ccc(CNC(=O | 8 | O=C1CC[C@@H](N2Cc3ccc(C(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | ccc(C(=O |
<|startoftext|><L>O=C1CC[C@@H]<mask_1:7>(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1<mask_1:7> | 9 | 12 | 7 | (N2Cc3ccc | 8 | O=C1CC[C@@H](N2c3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | (N2c3ccc |
<|startoftext|><L><mask_1:9>H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1<mask_1:9> | 10 | 0 | 9 | O=C1CC[C@@ | 9 | O=C1CC[C@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@ |
<|startoftext|><L>O=C1CC[C<mask_1:5>Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1<mask_1:5> | 7 | 8 | 5 | @@H](N2 | 5 | O=C1CC[C@]2(CCc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | @]2(C |
<|startoftext|><L>O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(<mask_1:10>c5ccccc5F)C4)cc3C2=O)C(=O)N1<mask_1:10> | 5 | 38 | 10 | =O)N( | 10 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N[C@H](c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | =O)N[C@H]( |
<|startoftext|><L>O=C1CC[C@@H](N<mask_1:10>2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1<mask_1:10> | 0 | 14 | 10 | 10 | O=C1CC[C@@H](NC(=O)[C@H]2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)cc3C2=O)C(=O)N1 | C(=O)[C@H] |
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<|startoftext|><L>Cc1ccc(CN2CCC[C@](O)(Cc3nc<mask_1:6>4)no3)C2)o1<mask_1:6> | 5 | 26 | 6 | (C4CC | 6 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CCC4)no3)C2)o1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | (C4CCC |
<|startoftext|><L>Cc1ccc(CN2CCC[C@](<mask_1:2>O)(Cc3nc(C4CC4)no3)C2)o1<mask_1:2> | 0 | 18 | 2 | 2 | Cc1ccc(CN2CCC[C@](CCO)(Cc3nc(C4CC4)no3)C2)o1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | CC |
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<|startoftext|><L>Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC<mask_1:1>4)no3)C2)o1<mask_1:1> | 0 | 31 | 1 | 1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CCC4)no3)C2)o1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | C |
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<|startoftext|><L>Cc1ccc(C<mask_1:1>[C@](O)(Cc3nc(C4CC4)no3)C2)o1<mask_1:1> | 5 | 8 | 1 | N2CCC | 1 | Cc1ccc(C2[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | 2 |
<|startoftext|><L>Cc1ccc(CN2<mask_1:5>C@](O)(Cc3nc(C4CC4)no3)C2)o1<mask_1:5> | 4 | 10 | 5 | CCC[ | 5 | Cc1ccc(CN2CCCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | CCCC[ |
<|startoftext|><L>Cc1ccc(CN2C<mask_1:2>(O)(Cc3nc(C4CC4)no3)C2)o1<mask_1:2> | 6 | 11 | 2 | CC[C@] | 2 | Cc1ccc(CN2CCC(O)(Cc3nc(C4CC4)no3)C2)o1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | CC |
<|startoftext|><L>Cc1ccc(CN2CC<mask_1:3>(O)(Cc3nc(C4CC4)no3)C2)o1<mask_1:3> | 5 | 12 | 3 | C[C@] | 3 | Cc1ccc(CN2CC[C](O)(Cc3nc(C4CC4)no3)C2)o1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | [C] |
<|startoftext|><L>Cc1ccc(CN2CCC[C@<mask_1:1>(Cc3nc(C4CC4)no3)C2)o1<mask_1:1> | 4 | 16 | 1 | ](O) | 1 | Cc1ccc(CN2CCC[C@](Cc3nc(C4CC4)no3)C2)o1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | ] |
<|startoftext|><L>Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC<mask_1:3>3)C2)o1<mask_1:3> | 4 | 31 | 3 | 4)no | 4 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | 4)no |
<|startoftext|><L>Cc1ccc(CN2CCC[C@](O)<mask_1:2>Cc3nc(C4CC4)no3)C2)o1<mask_1:2> | 1 | 20 | 2 | ( | 2 | Cc1ccc(CN2CCC[C@](O)(CCc3nc(C4CC4)no3)C2)o1 | Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 | (C |
<|startoftext|><L>C<mask_1:1>O)Nc1ccccc1C(=O)N1CCOCC1<mask_1:1> | 3 | 1 | 1 | C(= | 1 | C(O)Nc1ccccc1C(=O)N1CCOCC1 | CC(=O)Nc1ccccc1C(=O)N1CCOCC1 | ( |
<|startoftext|><L>CC(=O)Nc1cccc<mask_1:4>(=O)N1CCOCC1<mask_1:4> | 3 | 13 | 4 | c1C | 4 | CC(=O)Nc1ccccc1NC(=O)N1CCOCC1 | CC(=O)Nc1ccccc1C(=O)N1CCOCC1 | c1NC |
<|startoftext|><L>CC(=O)Nc1ccccc1C<mask_1:1>O)N1CCOCC1<mask_1:1> | 2 | 16 | 1 | (= | 1 | CC(=O)Nc1ccccc1C(O)N1CCOCC1 | CC(=O)Nc1ccccc1C(=O)N1CCOCC1 | ( |
<|startoftext|><L>CC(=O)Nc1ccccc1C(=O)N1CCO<mask_1:4>C1<mask_1:4> | 1 | 25 | 4 | C | 4 | CC(=O)Nc1ccccc1C(=O)N1CCOCCCCC1 | CC(=O)Nc1ccccc1C(=O)N1CCOCC1 | CCCC |
<|startoftext|><L>C<mask_1:1>C(=O)Nc1ccccc1C(=O)N1CCOCC1<mask_1:1> | 0 | 1 | 1 | 1 | CCC(=O)Nc1ccccc1C(=O)N1CCOCC1 | CC(=O)Nc1ccccc1C(=O)N1CCOCC1 | C |
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<|startoftext|><L><mask_1:4>(=O)Nc1ccccc1C(=O)N1CCOCC1<mask_1:4> | 2 | 0 | 4 | CC | 4 | CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1 | CC(=O)Nc1ccccc1C(=O)N1CCOCC1 | CCCC |
<|startoftext|><L>CC(=O)N<mask_1:2>c1ccccc1C(=O)N1CCOCC1<mask_1:2> | 0 | 7 | 2 | 2 | CC(=O)NCCc1ccccc1C(=O)N1CCOCC1 | CC(=O)Nc1ccccc1C(=O)N1CCOCC1 | CC |
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<|startoftext|><L>C<mask_1:4>(=O)Nc1ccccc1C(=O)N1CCOCC1<mask_1:4> | 1 | 1 | 4 | C | 4 | CCCCC(=O)Nc1ccccc1C(=O)N1CCOCC1 | CC(=O)Nc1ccccc1C(=O)N1CCOCC1 | CCCC |
<|startoftext|><L>CC(=O)Nc1ccccc1C(=O)N<mask_1:4>COCC1<mask_1:4> | 2 | 21 | 4 | 1C | 4 | CC(=O)Nc1ccccc1C(=O)NCN1CCOCC1 | CC(=O)Nc1ccccc1C(=O)N1CCOCC1 | CN1C |
<|startoftext|><L>C<mask_1:3>=O)Nc1ccccc1C(=O)N1CCOCC1<mask_1:3> | 2 | 1 | 3 | C( | 3 | CCC(=O)Nc1ccccc1C(=O)N1CCOCC1 | CC(=O)Nc1ccccc1C(=O)N1CCOCC1 | CC( |
<|startoftext|><L>O=Cc1cccc(Oc<mask_1:3>ccc(I)cn2)c1<mask_1:3> | 1 | 12 | 3 | 2 | 3 | O=Cc1cccc(Oc2ncccc(I)cn2)c1 | O=Cc1cccc(Oc2ccc(I)cn2)c1 | 2nc |
<|startoftext|><L>O=Cc1cccc(Oc2ccc<mask_1:2>(I)cn2)c1<mask_1:2> | 0 | 16 | 2 | 2 | O=Cc1cccc(Oc2ccccc(I)cn2)c1 | O=Cc1cccc(Oc2ccc(I)cn2)c1 | cc |
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<|startoftext|><L>O=Cc1cccc<mask_1:1>c2ccc(I)cn2)c1<mask_1:1> | 2 | 9 | 1 | (O | 1 | O=Cc1cccc(c2ccc(I)cn2)c1 | O=Cc1cccc(Oc2ccc(I)cn2)c1 | ( |
<|startoftext|><L>O=Cc1cccc(Oc2<mask_1:2>ccc(I)cn2)c1<mask_1:2> | 0 | 13 | 2 | 2 | O=Cc1cccc(Oc2ncccc(I)cn2)c1 | O=Cc1cccc(Oc2ccc(I)cn2)c1 | nc |
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<|startoftext|><L>O=C<mask_1:1>c1cccc(Oc2ccc(I)cn2)c1<mask_1:1> | 0 | 3 | 1 | 1 | O=CNc1cccc(Oc2ccc(I)cn2)c1 | O=Cc1cccc(Oc2ccc(I)cn2)c1 | N |
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<|startoftext|><L>O=Cc1c<mask_1:2>(Oc2ccc(I)cn2)c1<mask_1:2> | 3 | 6 | 2 | ccc | 2 | O=Cc1csc(Oc2ccc(I)cn2)c1 | O=Cc1cccc(Oc2ccc(I)cn2)c1 | sc |
<|startoftext|><L>O=<mask_1:1>Cc1cccc(Oc2ccc(I)cn2)c1<mask_1:1> | 0 | 2 | 1 | 1 | O=CCc1cccc(Oc2ccc(I)cn2)c1 | O=Cc1cccc(Oc2ccc(I)cn2)c1 | C |
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<|startoftext|><L>O=Cc1cccc(O<mask_1:2>c2ccc(I)cn2)c1<mask_1:2> | 0 | 11 | 2 | 2 | O=Cc1cccc(OCOc2ccc(I)cn2)c1 | O=Cc1cccc(Oc2ccc(I)cn2)c1 | CO |
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<|startoftext|><L>O=Cc1cccc(Oc<mask_1:2>c(I)cn2)c1<mask_1:2> | 3 | 12 | 2 | 2cc | 2 | O=Cc1cccc(Oc2sc(I)cn2)c1 | O=Cc1cccc(Oc2ccc(I)cn2)c1 | 2s |
<|startoftext|><L>O=Cc1cccc(Oc2ccc(<mask_1:3>cn2)c1<mask_1:3> | 2 | 17 | 3 | I) | 3 | O=Cc1cccc(Oc2ccc(Br)cn2)c1 | O=Cc1cccc(Oc2ccc(I)cn2)c1 | Br) |
<|startoftext|><L>Cc1nnc(NC(=O<mask_1:4>ccccc2Cc2ccccc2)s1<mask_1:4> | 5 | 12 | 4 | )COc2 | 4 | Cc1nnc(NC(=O)Nc2ccccc2Cc2ccccc2)s1 | Cc1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | )Nc2 |
<|startoftext|><L>Cc1nnc(NC(=O)COc2c<mask_1:2>2Cc2ccccc2)s1<mask_1:2> | 4 | 18 | 2 | cccc | 2 | Cc1nnc(NC(=O)COc2ccs2Cc2ccccc2)s1 | Cc1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | cs |
<|startoftext|><L>Cc1nnc(NC(=O)COc2ccccc2Cc2<mask_1:4>cccc2)s1<mask_1:4> | 1 | 26 | 4 | c | 4 | Cc1nnc(NC(=O)COc2ccccc2Cc2c(F)cccc2)s1 | Cc1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | c(F) |
<|startoftext|><L>Cc1nnc(N<mask_1:5>=O)COc2ccccc2Cc2ccccc2)s1<mask_1:5> | 2 | 8 | 5 | C( | 5 | Cc1nnc(NCCNC(=O)COc2ccccc2Cc2ccccc2)s1 | Cc1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | CCNC( |
<|startoftext|><L><mask_1:2>nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1<mask_1:2> | 3 | 0 | 2 | Cc1 | 2 | c1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | Cc1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | c1 |
<|startoftext|><L>Cc1nnc(NC(=O)COc2cc<mask_1:3>ccc2Cc2ccccc2)s1<mask_1:3> | 0 | 19 | 3 | 3 | Cc1nnc(NC(=O)COc2cc(C)ccc2Cc2ccccc2)s1 | Cc1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | (C) |
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<|startoftext|><L>Cc1nnc(NC(=O)COc2cc<mask_1:4>ccc2Cc2ccccc2)s1<mask_1:4> | 0 | 19 | 4 | 4 | Cc1nnc(NC(=O)COc2cc(Br)ccc2Cc2ccccc2)s1 | Cc1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | (Br) |
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<|startoftext|><L>Cc1nnc(NC(=O)<mask_1:3>c2ccccc2Cc2ccccc2)s1<mask_1:3> | 2 | 13 | 3 | CO | 3 | Cc1nnc(NC(=O)CCNc2ccccc2Cc2ccccc2)s1 | Cc1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | CCN |
<|startoftext|><L>Cc1nnc(NC(=O)COc2ccccc2Cc2c<mask_1:3>cccc2)s1<mask_1:3> | 0 | 27 | 3 | 3 | Cc1nnc(NC(=O)COc2ccccc2Cc2c(F)cccc2)s1 | Cc1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | (F) |
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<|startoftext|><L>Cc1nnc(NC(=O)COc2ccccc2Cc2c<mask_1:2>2)s1<mask_1:2> | 4 | 27 | 2 | cccc | 3 | Cc1nnc(NC(=O)COc2ccccc2Cc2cccs2)s1 | Cc1nnc(NC(=O)COc2ccccc2Cc2ccccc2)s1 | ccs |
<|startoftext|><L>O=c1cc(/C=<mask_1:1>c2c(F)cccc2Cl)[nH]c2ccccc12<mask_1:1> | 2 | 10 | 1 | C/ | 1 | O=c1cc(/C=Nc2c(F)cccc2Cl)[nH]c2ccccc12 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | N |
<|startoftext|><L>O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2cccc<mask_1:5>12<mask_1:5> | 1 | 36 | 5 | c | 5 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2cccc(Cl)c12 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | (Cl)c |
<|startoftext|><L>O=c1cc(/C=C/c2c<mask_1:5>ccc2Cl)[nH]c2ccccc12<mask_1:5> | 4 | 15 | 5 | (F)c | 5 | O=c1cc(/C=C/c2cc(Cl)ccc2Cl)[nH]c2ccccc12 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | c(Cl) |
<|startoftext|><L>O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]<mask_1:4>cc12<mask_1:4> | 5 | 30 | 4 | c2ccc | 4 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2sccc12 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | c2sc |
<|startoftext|><L>O=c1cc(/C=C/c2c(F)ccc<mask_1:3>[nH]c2ccccc12<mask_1:3> | 5 | 21 | 3 | c2Cl) | 3 | O=c1cc(/C=C/c2c(F)cccc2)[nH]c2ccccc12 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | c2) |
<|startoftext|><L>O=c1cc(/C=C/c2c(F)cc<mask_1:5>cc2Cl)[nH]c2ccccc12<mask_1:5> | 0 | 20 | 5 | 5 | O=c1cc(/C=C/c2c(F)cc(C#N)cc2Cl)[nH]c2ccccc12 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | (C#N) |
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<|startoftext|><L>O=c1cc(/C=<mask_1:4>/c2c(F)cccc2Cl)[nH]c2ccccc12<mask_1:4> | 1 | 10 | 4 | C | 4 | O=c1cc(/C=N/NC/c2c(F)cccc2Cl)[nH]c2ccccc12 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | N/NC |
<|startoftext|><L>O=c1c<mask_1:4>(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12<mask_1:4> | 1 | 5 | 4 | c | 4 | O=c1c(O)c(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | (O)c |
<|startoftext|><L>O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2c<mask_1:4>2<mask_1:4> | 5 | 33 | 4 | cccc1 | 4 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccnn12 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | cnn1 |
<|startoftext|><L>O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccc<mask_1:1>12<mask_1:1> | 2 | 35 | 1 | cc | 1 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2cccn12 | O=c1cc(/C=C/c2c(F)cccc2Cl)[nH]c2ccccc12 | n |