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stringlengths 49
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| first_mask_count
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| first_start_index
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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
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stringlengths 12
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| original_smiles
stringlengths 12
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<|startoftext|><L>O=S(=O)(Nc1cc<mask_1:4>O)(=O)N2CCCC2)cc1)c1cccs1<mask_1:4> | 5 | 13 | 4 | c(S(= | 4 | O=S(=O)(Nc1ccc(S(O)(=O)N2CCCC2)cc1)c1cccs1 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | c(S( |
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=O)(=O)N2C<mask_1:4>c1)c1cccs1<mask_1:4> | 6 | 27 | 4 | CCC2)c | 4 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CC2)cc1)c1cccs1 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | C2)c |
<|startoftext|><L>O=S(=O)(Nc1ccc<mask_1:6>S(=O)(=O)N2CCCC2)cc1)c1cccs1<mask_1:6> | 1 | 14 | 6 | ( | 6 | O=S(=O)(Nc1ccc(C(=S)S(=O)(=O)N2CCCC2)cc1)c1cccs1 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | (C(=S) |
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=<mask_1:6>)N2CCCC2)cc1)c1cccs1<mask_1:6> | 5 | 18 | 6 | O)(=O | 5 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | O)(=O |
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=O)(<mask_1:6>=O)N2CCCC2)cc1)c1cccs1<mask_1:6> | 0 | 21 | 6 | 6 | O=S(=O)(Nc1ccc(S(=O)(=O)CC(=O)N2CCCC2)cc1)c1cccs1 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | =O)CC( |
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<|startoftext|><L>O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)<mask_1:6>1cccs1<mask_1:6> | 5 | 32 | 6 | cc1)c | 6 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1cccs1 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | cc1)Cc |
<|startoftext|><L>O=S(=O)(Nc1c<mask_1:5>S(=O)(=O)N2CCCC2)cc1)c1cccs1<mask_1:5> | 3 | 12 | 5 | cc( | 5 | O=S(=O)(Nc1ccc(CCS(=O)(=O)N2CCCC2)cc1)c1cccs1 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | cc(CC |
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=O)(=O)N<mask_1:5>CC2)cc1)c1cccs1<mask_1:5> | 3 | 25 | 5 | 2CC | 5 | O=S(=O)(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccs1 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | C2CCC |
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=O)(=O)N<mask_1:6>CCCC2)cc1)c1cccs1<mask_1:6> | 1 | 25 | 6 | 2 | 6 | O=S(=O)(Nc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1)c1cccs1 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | CCCN2C |
<|startoftext|><L>O=S(=O)(Nc1<mask_1:6>(S(=O)(=O)N2CCCC2)cc1)c1cccs1<mask_1:6> | 3 | 11 | 6 | ccc | 6 | O=S(=O)(Nc1cc(F)c(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 | cc(F)c |
<|startoftext|><L>O=C(C<mask_1:6>1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:6> | 5 | 5 | 6 | [C@H] | 6 | O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | [C@@H] |
<|startoftext|><L>O=C(C[C@H]<mask_1:2>CCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:2> | 7 | 10 | 2 | 1C(=O)N | 2 | O=C(C[C@H]1CCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | 1C |
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1Cc<mask_1:7>Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:7> | 8 | 23 | 7 | 1ccccc1) | 7 | O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)Nc1cccc(NC(=O)c2cccnc2)c1 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | 1cccs1) |
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)<mask_1:5>c2cccnc2)c1<mask_1:5> | 0 | 45 | 5 | 5 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)/C=C/c2cccnc2)c1 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | /C=C/ |
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<|startoftext|><L>O=C(C[C@H]<mask_1:3>NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:3> | 6 | 10 | 3 | 1C(=O) | 3 | O=C(C[C@H]1CCNCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | 1CC |
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cc<mask_1:6>)c2cccnc2)c1<mask_1:6> | 8 | 36 | 6 | cc(NC(=O | 6 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(C(F)c2cccnc2)c1 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | cc(C(F |
<|startoftext|><L>O=C(C[C@H]1C(=O)N<mask_1:8>c1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:8> | 5 | 17 | 8 | CCN1C | 9 | O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | CCN1C(=O) |
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c<mask_1:8>1<mask_1:8> | 0 | 55 | 8 | 8 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1-n1cccn1 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | 1-n1cccn |
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<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)N<mask_1:4>c(NC(=O)c2cccnc2)c1<mask_1:4> | 5 | 32 | 4 | c1ccc | 4 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1csc(NC(=O)c2cccnc2)c1 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | c1cs |
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1C<mask_1:8>c1)Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:8> | 6 | 22 | 8 | c1cccc | 8 | O=C(C[C@H]1C(=O)NCCN1CCOc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 | COc1cccc |
<|startoftext|><L>COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)c<mask_1:4>c1S(=O)(=O)N(C)C<mask_1:4> | 0 | 40 | 4 | 4 | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)c(OC)c1S(=O)(=O)N(C)C | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | (OC) |
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<|startoftext|><L>C<mask_1:2>c1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:2> | 1 | 1 | 2 | O | 2 | CCOc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | CO |
<|startoftext|><L>COc1ccc<mask_1:5>O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:5> | 4 | 7 | 5 | (C(= | 5 | COc1ccc(CC(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | (CC(= |
<|startoftext|><L>COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1<mask_1:3>)(=O)N(C)C<mask_1:3> | 4 | 42 | 3 | S(=O | 3 | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(C)(=O)N(C)C | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | S(C |
<|startoftext|><L>COc1cc<mask_1:5>(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:5> | 3 | 6 | 5 | c(C | 5 | COc1ccc(OCC(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | c(OCC |
<|startoftext|><L>C<mask_1:7>cc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:7> | 4 | 1 | 7 | Oc1c | 7 | CC(C)c1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | C(C)c1c |
<|startoftext|><L>COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=<mask_1:8>(=O)N(C)C<mask_1:8> | 2 | 45 | 8 | O) | 8 | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)NC(=O)N(C)C | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | O)(=O)NC |
<|startoftext|><L>COc<mask_1:7>C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:7> | 5 | 3 | 7 | 1ccc( | 7 | COc1ccc(CCC(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | 1ccc(CC |
<|startoftext|><L>COc1ccc(C(=O)<mask_1:3>S/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:3> | 4 | 13 | 3 | N2CC | 3 | COc1ccc(C(=O)N2CS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | N2C |
<|startoftext|><L>COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n<mask_1:7>)cc1S(=O)(=O)N(C)C<mask_1:7> | 2 | 36 | 7 | 2C | 7 | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2CC(C)C)cc1S(=O)(=O)N(C)C | COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C | 2CC(C)C |
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCCN(c3c<mask_1:6>3)CC2)cc1<mask_1:6> | 4 | 27 | 6 | ccnn | 6 | CCS(=O)(=O)c1ccc(N2CCCN(c3cnn(C)c3)CC2)cc1 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | nn(C)c |
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn<mask_1:2>2)cc1<mask_1:2> | 4 | 31 | 2 | 3)CC | 2 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)2)cc1 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | 3) |
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCCN(<mask_1:6>c3cccnn3)CC2)cc1<mask_1:6> | 0 | 24 | 6 | 6 | CCS(=O)(=O)c1ccc(N2CCCN(C/C=C/c3cccnn3)CC2)cc1 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | C/C=C/ |
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<|startoftext|><L>CCS(=O)(=O)c1ccc(N<mask_1:4>c3cccnn3)CC2)cc1<mask_1:4> | 6 | 18 | 4 | 2CCCN( | 4 | CCS(=O)(=O)c1ccc(NC2(Nc3cccnn3)CC2)cc1 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | C2(N |
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCC<mask_1:4>cnn3)CC2)cc1<mask_1:4> | 6 | 22 | 4 | N(c3cc | 4 | CCS(=O)(=O)c1ccc(N2CCC(n3ccnn3)CC2)cc1 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | (n3c |
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn<mask_1:5>cc1<mask_1:5> | 6 | 31 | 5 | 3)CC2) | 5 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)C2)cc1 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | 3)C2) |
<|startoftext|><L>CCS(=O)(=O)c1cc<mask_1:5>CN(c3cccnn3)CC2)cc1<mask_1:5> | 6 | 15 | 5 | c(N2CC | 5 | CCS(=O)(=O)c1ccc(N2CCN(c3cccnn3)CC2)cc1 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | c(N2C |
<|startoftext|><L>CC<mask_1:6>S(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1<mask_1:6> | 0 | 2 | 6 | 6 | CC(C)CCNS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | (C)CCN |
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<|startoftext|><L>CCS(=O)(=O)c1<mask_1:5>cc(N2CCCN(c3cccnn3)CC2)cc1<mask_1:5> | 1 | 13 | 5 | c | 5 | CCS(=O)(=O)c1c(Cl)cc(N2CCCN(c3cccnn3)CC2)cc1 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | c(Cl) |
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3<mask_1:3>C2)cc1<mask_1:3> | 2 | 32 | 3 | )C | 3 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CCC2)cc1 | CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1 | )CC |
<|startoftext|><L>CCOc1ncccc1C(=O)NC[C@<mask_1:3>CCCN(S(=O)(=O)N(C)C)C1<mask_1:3> | 4 | 21 | 3 | @H]1 | 3 | CCOc1ncccc1C(=O)NC[C@H]1CCCN(S(=O)(=O)N(C)C)C1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | H]1 |
<|startoftext|><L>CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O<mask_1:7>C)C)C1<mask_1:7> | 3 | 38 | 7 | )N( | 7 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)OC(C)(C)C)C1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | )OC(C)( |
<|startoftext|><L>CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=<mask_1:2>)C1<mask_1:2> | 7 | 37 | 2 | O)N(C)C | 2 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O))C1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | O) |
<|startoftext|><L>CC<mask_1:3>c1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1<mask_1:3> | 1 | 2 | 3 | O | 3 | CCCCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | CCO |
<|startoftext|><L>CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)<mask_1:1>)C1<mask_1:1> | 5 | 39 | 1 | N(C)C | 1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)C)C1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | C |
<|startoftext|><L>CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(<mask_1:1>)C)C1<mask_1:1> | 6 | 36 | 1 | =O)N(C | 1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(C)C)C1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | C |
<|startoftext|><L>CCOc1<mask_1:5>cc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1<mask_1:5> | 3 | 5 | 5 | ncc | 5 | CCOc1nn(C)cc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | nn(C) |
<|startoftext|><L>CCOc1ncccc1C(=O)NC<mask_1:3>H]1CCCN(S(=O)(=O)N(C)C)C1<mask_1:3> | 4 | 18 | 3 | [C@@ | 3 | CCOc1ncccc1C(=O)NC[C@H]1CCCN(S(=O)(=O)N(C)C)C1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | [C@ |
<|startoftext|><L>CCOc1ncccc1C(=O)N<mask_1:4>[C@@H]1CCCN(S(=O)(=O)N(C)C)C1<mask_1:4> | 1 | 17 | 4 | C | 4 | CCOc1ncccc1C(=O)N(C)C[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | (C)C |
<|startoftext|><L>CC<mask_1:7>c1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1<mask_1:7> | 1 | 2 | 7 | O | 7 | CC(C)(C)Nc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 | (C)(C)N |
<|startoftext|><L><mask_1:3>CCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:3> | 6 | 0 | 3 | CCCN1C | 3 | CN1CCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | CN1 |
<|startoftext|><L><mask_1:6>1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:6> | 4 | 0 | 6 | CCCN | 6 | C[C@H]1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | C[C@H] |
<|startoftext|><L>CCCN1CC<mask_1:4>Cn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:4> | 0 | 7 | 4 | 4 | CCCN1CCCCCCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | CCCC |
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<|startoftext|><L>CCCN1CCCn2nc(CNc3cc(CC)nc(<mask_1:5>(C)C)n3)cc2C1<mask_1:5> | 1 | 26 | 5 | N | 5 | CCCN1CCCn2nc(CNc3cc(CC)nc(NCCCN(C)C)n3)cc2C1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | NCCCN |
<|startoftext|><L>CCCN1CCCn2nc(CNc3cc(CC)nc(N<mask_1:1>n3)cc2C1<mask_1:1> | 5 | 27 | 1 | (C)C) | 1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N)n3)cc2C1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | ) |
<|startoftext|><L>CCCN1CCCn2nc(CNc3c<mask_1:5>C)nc(N(C)C)n3)cc2C1<mask_1:5> | 3 | 18 | 5 | c(C | 5 | CCCN1CCCn2nc(CNc3cc(OCCC)nc(N(C)C)n3)cc2C1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | c(OCC |
<|startoftext|><L>CCCN1CCCn2nc(<mask_1:1>c3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:1> | 2 | 13 | 1 | CN | 1 | CCCN1CCCn2nc(-c3cc(CC)nc(N(C)C)n3)cc2C1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | - |
<|startoftext|><L>CC<mask_1:3>Cn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:3> | 5 | 2 | 3 | CN1CC | 3 | CCN1CCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | N1C |
<|startoftext|><L>CCCN<mask_1:4>Cn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:4> | 3 | 4 | 4 | 1CC | 4 | CCCN1CCCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | 1CCC |
<|startoftext|><L>CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2<mask_1:3>C1<mask_1:3> | 0 | 38 | 3 | 3 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C=CC1 | CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 | C=C |
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<|startoftext|><L>NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)<mask_1:5>C1<mask_1:5> | 1 | 34 | 5 | C | 5 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)C(=O)C1 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | C(=O) |
<|startoftext|><L>NC(=O)CN1CCCN(c2ccnc(-<mask_1:4>cc3)n2)CC1<mask_1:4> | 5 | 22 | 4 | c3ccc | 4 | NC(=O)CN1CCCN(c2ccnc(-n3cccc3)n2)CC1 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | n3cc |
<|startoftext|><L>NC(=O)CN1CCCN<mask_1:5>2ccnc(-c3ccccc3)n2)CC1<mask_1:5> | 2 | 13 | 5 | (c | 5 | NC(=O)CN1CCCN(CCNc2ccnc(-c3ccccc3)n2)CC1 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | (CCNc |
<|startoftext|><L>NC(=O<mask_1:3>N1CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:3> | 2 | 5 | 3 | )C | 3 | NC(=O)CCN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | )CC |
<|startoftext|><L>NC(=O)CN1CCCN(c2ccn<mask_1:5>-c3ccccc3)n2)CC1<mask_1:5> | 2 | 19 | 5 | c( | 5 | NC(=O)CN1CCCN(c2ccnc(NCC-c3ccccc3)n2)CC1 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | c(NCC |
<|startoftext|><L>NC(=O)<mask_1:3>N1CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:3> | 1 | 6 | 3 | C | 3 | NC(=O)CCCN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | CCC |
<|startoftext|><L>NC(=O<mask_1:5>CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:5> | 4 | 5 | 5 | )CN1 | 5 | NC(=O)CCN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | )CCN1 |
<|startoftext|><L>N<mask_1:2>(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:2> | 1 | 1 | 2 | C | 2 | NCC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | CC |
<|startoftext|><L>NC(=<mask_1:5>CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:5> | 2 | 4 | 5 | O) | 5 | NC(=O)COCCN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | O)COC |
<|startoftext|><L>N<mask_1:1>CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:1> | 5 | 1 | 1 | C(=O) | 1 | NCCN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1 | C |
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)<mask_1:3>O1<mask_1:3> | 0 | 48 | 3 | 3 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)OCCO1 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | OCC |
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<|startoftext|><L>CC[C@@H]1<mask_1:7>(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:7> | 2 | 9 | 7 | CN | 7 | CC[C@@H]1CN[C@H](c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | CN[C@H] |
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2C<mask_1:7>@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:7> | 2 | 20 | 7 | [C | 7 | CC[C@@H]1CN(c2nnnn2CC(=O)[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | C(=O)[C |
<|startoftext|><L>CC[C@@H]1CN(c<mask_1:2>n2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:2> | 4 | 13 | 2 | 2nnn | 2 | CC[C@@H]1CN(c2nn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | 2n |
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](C<mask_1:5>O1<mask_1:5> | 2 | 46 | 5 | C) | 5 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](C(C)C)O1 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | (C)C) |
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2C<mask_1:7>[C@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:7> | 0 | 20 | 7 | 7 | CC[C@@H]1CN(c2nnnn2CC(=O)NC[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | C(=O)NC |
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<|startoftext|><L>CC[C@@H]1CN(c2nnnn2<mask_1:2>@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:2> | 3 | 19 | 2 | C[C | 2 | CC[C@@H]1CN(c2nnnn2[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | [C |
<|startoftext|><L>CC[C<mask_1:7>]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:7> | 3 | 4 | 7 | @@H | 7 | CC[C@H][C@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | @H][C@H |
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2C[C@@H](C<mask_1:5>cccn2)C[C@H](CC)O1<mask_1:5> | 4 | 28 | 5 | )Cn2 | 5 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Oc2ccccn2)C[C@H](CC)O1 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | )Oc2c |
<|startoftext|><L>C<mask_1:5>]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:5> | 6 | 1 | 5 | C[C@@H | 5 | C[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1 | [C@@H |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1COC<mask_1:5>1NC(=O)Nc1ccccc1Cl<mask_1:5> | 6 | 25 | 5 | [C@@H] | 5 | CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Nc1ccccc1Cl | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | [C@H] |
<|startoftext|><L><mask_1:4>C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:4> | 3 | 0 | 4 | CN( | 4 | CCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | CCN( |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H<mask_1:5>COC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:5> | 2 | 20 | 5 | ]1 | 5 | CN(C)S(=O)(=O)C[C@@H]1COCCOC[C@@H]1NC(=O)Nc1ccccc1Cl | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | ]1COC |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc<mask_1:6>Cl<mask_1:6> | 7 | 40 | 6 | 1ccccc1 | 6 | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1sccc1Cl | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | 1sccc1 |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H<mask_1:2>OC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:2> | 3 | 20 | 2 | ]1C | 2 | CN(C)S(=O)(=O)C[C@@H]1OC[C@@H]1NC(=O)Nc1ccccc1Cl | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | ]1 |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1COC[C@@H<mask_1:6>)Nc1ccccc1Cl<mask_1:6> | 7 | 30 | 6 | ]1NC(=O | 6 | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1C(=O)Nc1ccccc1Cl | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | ]1C(=O |
<|startoftext|><L>CN(C)S(=O)(=O)<mask_1:6>@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:6> | 4 | 14 | 6 | C[C@ | 6 | CN(C)S(=O)(=O)CCOC[C@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | CCOC[C |
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1C<mask_1:1>l<mask_1:1> | 0 | 48 | 1 | 1 | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1CCl | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | C |
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<|startoftext|><L>CN(C)S(=O)(=O)C[C@@<mask_1:6>COC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:6> | 3 | 19 | 6 | H]1 | 6 | CN(C)S(=O)(=O)C[C@@]1(CO)COC[C@@H]1NC(=O)Nc1ccccc1Cl | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | ]1(CO) |
<|startoftext|><L>CN(C)S(=O<mask_1:2>[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:2> | 6 | 9 | 2 | )(=O)C | 2 | CN(C)S(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl | )C |
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C(=<mask_1:4>2CCCCC2)c1C<mask_1:4> | 5 | 22 | 4 | O)NCC | 4 | COC(=O)c1c(C)[nH]c(C(=O)NC2CCCCC2)c1C | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | O)NC |
<|startoftext|><L>COC(=O)c1c<mask_1:5>[nH]c(C(=O)NCC2CCCCC2)c1C<mask_1:5> | 3 | 10 | 5 | (C) | 5 | COC(=O)c1cc(=O)[nH]c(C(=O)NCC2CCCCC2)c1C | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | c(=O) |
<|startoftext|><L>COC(=O)c<mask_1:1>(C)[nH]c(C(=O)NCC2CCCCC2)c1C<mask_1:1> | 2 | 8 | 1 | 1c | 1 | COC(=O)c1(C)[nH]c(C(=O)NCC2CCCCC2)c1C | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | 1 |
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C(=O)NCC2<mask_1:1>C2)c1C<mask_1:1> | 4 | 28 | 1 | CCCC | 1 | COC(=O)c1c(C)[nH]c(C(=O)NCC2CC2)c1C | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | C |
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C(=O)NCC<mask_1:4>CCCCC2)c1C<mask_1:4> | 1 | 27 | 4 | 2 | 4 | COC(=O)c1c(C)[nH]c(C(=O)NCCCOC2CCCCC2)c1C | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | COC2 |
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C<mask_1:2>)NCC2CCCCC2)c1C<mask_1:2> | 3 | 20 | 2 | (=O | 2 | COC(=O)c1c(C)[nH]c(C(C)NCC2CCCCC2)c1C | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | (C |
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C(=O)NCC2CCC<mask_1:2>)c1C<mask_1:2> | 3 | 31 | 2 | CC2 | 2 | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCC2)c1C | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | C2 |
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC<mask_1:2>2)c1C<mask_1:2> | 0 | 33 | 2 | 2 | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCCCC2)c1C | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | CC |
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<|startoftext|><L>C<mask_1:5>=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C<mask_1:5> | 3 | 1 | 5 | OC( | 5 | CCCOC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | CCOC( |
<|startoftext|><L>COC(=O)c1<mask_1:3>C)[nH]c(C(=O)NCC2CCCCC2)c1C<mask_1:3> | 2 | 9 | 3 | c( | 3 | COC(=O)c1c(CC)[nH]c(C(=O)NCC2CCCCC2)c1C | COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C | c(C |