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int64 1
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int64 0
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| generated_smiles
stringlengths 10
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| original_smiles
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<|startoftext|><L>O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)<mask_1:4>CCC1<mask_1:4> | 1 | 34 | 4 | C | 4 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCCCCC1 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | CCCC |
<|startoftext|><L>O=C(<mask_1:1>C[C@H](O)c1ccco1)C1(c2cccs2)CCCC1<mask_1:1> | 2 | 4 | 1 | NC | 1 | O=C(NC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | N |
<|startoftext|><L>O=C(NCC[C@H]<mask_1:5>1ccco1)C1(c2cccs2)CCCC1<mask_1:5> | 4 | 12 | 5 | (O)c | 5 | O=C(NCC[C@H](O)Cc1ccco1)C1(c2cccs2)CCCC1 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | (O)Cc |
<|startoftext|><L>O=C(NCC[C@H](O)c1ccco1)<mask_1:5>2cccs2)CCCC1<mask_1:5> | 4 | 23 | 5 | C1(c | 5 | O=C(NCC[C@H](O)c1ccco1)C1(Cc2cccs2)CCCC1 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | C1(Cc |
<|startoftext|><L>O=C(NCC[C@H](O)c1ccco1)<mask_1:2>1(c2cccs2)CCCC1<mask_1:2> | 1 | 23 | 2 | C | 2 | O=C(NCC[C@H](O)c1ccco1)NC1(c2cccs2)CCCC1 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | NC |
<|startoftext|><L>O=<mask_1:4>C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1<mask_1:4> | 0 | 2 | 4 | 4 | O=C(O)C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | C(O) |
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<|startoftext|><L>O=C(NCC[C<mask_1:2>O)c1ccco1)C1(c2cccs2)CCCC1<mask_1:2> | 4 | 9 | 2 | @H]( | 2 | O=C(NCC[C](O)c1ccco1)C1(c2cccs2)CCCC1 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | ]( |
<|startoftext|><L>O=<mask_1:4>NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1<mask_1:4> | 2 | 2 | 4 | C( | 4 | O=C(NCNCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | C(NC |
<|startoftext|><L>O=C(<mask_1:5>C@H](O)c1ccco1)C1(c2cccs2)CCCC1<mask_1:5> | 4 | 4 | 5 | NCC[ | 5 | O=C(NCCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | NCCC[ |
<|startoftext|><L>O=C(NCC[C@H](O)c1cc<mask_1:5>C1(c2cccs2)CCCC1<mask_1:5> | 4 | 19 | 5 | co1) | 5 | O=C(NCC[C@H](O)c1ccco1)NC1(c2cccs2)CCCC1 | O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 | co1)N |
<|startoftext|><L>CC(C)COC(=O)CN1C(=O)S/<mask_1:3>2cccc(OCc3ccccc3)c2)C1=O<mask_1:3> | 6 | 22 | 3 | C(=C/c | 3 | CC(C)COC(=O)CN1C(=O)S/C(c2cccc(OCc3ccccc3)c2)C1=O | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | C(c |
<|startoftext|><L>CC(C)COC(<mask_1:7>1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O<mask_1:7> | 5 | 9 | 7 | =O)CN | 7 | CC(C)COC(=O)CCCN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | =O)CCCN |
<|startoftext|><L>CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3<mask_1:1>c3)c2)C1=O<mask_1:1> | 4 | 38 | 1 | cccc | 1 | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3sc3)c2)C1=O | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | s |
<|startoftext|><L>CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc<mask_1:5>OCc3ccccc3)c2)C1=O<mask_1:5> | 1 | 33 | 5 | ( | 5 | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCCCOCc3ccccc3)c2)C1=O | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | (OCCC |
<|startoftext|><L>CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(O<mask_1:3>ccc3)c2)C1=O<mask_1:3> | 5 | 35 | 3 | Cc3cc | 3 | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3sccc3)c2)C1=O | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | c3s |
<|startoftext|><L>CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3cc<mask_1:4>cc3)c2)C1=O<mask_1:4> | 1 | 40 | 4 | c | 4 | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | c(F) |
<|startoftext|><L>CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(<mask_1:7>Cc3ccccc3)c2)C1=O<mask_1:7> | 1 | 34 | 7 | O | 7 | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCC(=O)Cc3ccccc3)c2)C1=O | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | OCC(=O) |
<|startoftext|><L>CC(C)COC(=O)CN1C(=O)<mask_1:2>S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O<mask_1:2> | 0 | 20 | 2 | 2 | CC(C)COC(=O)CN1C(=O)N=S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | N= |
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<|startoftext|><L>CC(C)C<mask_1:5>(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O<mask_1:5> | 2 | 6 | 5 | OC | 5 | CC(C)CN(C)C(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | N(C)C |
<|startoftext|><L>CC(C)COC(=O)CN1C(=O)S/C<mask_1:7>cccc(OCc3ccccc3)c2)C1=O<mask_1:7> | 6 | 23 | 7 | (=C/c2 | 7 | CC(C)COC(=O)CN1C(=O)S/C(=C/Nc2cccc(OCc3ccccc3)c2)C1=O | CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O | (=C/Nc2 |
<|startoftext|><L>CO<mask_1:6>c(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1<mask_1:6> | 5 | 2 | 6 | c1ccc | 6 | COCc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | Cc1ccc |
<|startoftext|><L>COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3CO<mask_1:7>ccc4O3)CCC(=O)N2)c1<mask_1:7> | 4 | 35 | 7 | c4cc | 7 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4cc(C)ccc4O3)CCC(=O)N2)c1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | c4cc(C) |
<|startoftext|><L>COc1cccc(C[C@@]2(CCC(=O)NC<mask_1:5>@@H]3COc4ccccc4O3)CCC(=O)N2)c1<mask_1:5> | 2 | 26 | 5 | [C | 5 | COc1cccc(C[C@@]2(CCC(=O)NCCOC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | COC[C |
<|startoftext|><L>COc1cccc(C[C@@]2(C<mask_1:3>C(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1<mask_1:3> | 1 | 18 | 3 | C | 3 | COc1cccc(C[C@@]2(C)N(C(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | )N( |
<|startoftext|><L>COc1cccc(C[C@@]2(<mask_1:2>(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1<mask_1:2> | 3 | 17 | 2 | CCC | 2 | COc1cccc(C[C@@]2(CC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | CC |
<|startoftext|><L>COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)C<mask_1:1>2)c1<mask_1:1> | 7 | 47 | 1 | CC(=O)N | 1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CC2)c1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | C |
<|startoftext|><L>COc1cccc(C[C@<mask_1:5>=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1<mask_1:5> | 8 | 13 | 5 | @]2(CCC( | 5 | COc1cccc(C[C@]2(C(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | ]2(C( |
<|startoftext|><L>COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3CO<mask_1:2>O3)CCC(=O)N2)c1<mask_1:2> | 8 | 35 | 2 | c4ccccc4 | 2 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COCCO3)CCC(=O)N2)c1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | CC |
<|startoftext|><L>COc1cccc(C[C@@]2(C<mask_1:6>)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1<mask_1:6> | 5 | 18 | 6 | CC(=O | 6 | COc1cccc(C[C@@]2(CCCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | CCC(=O |
<|startoftext|><L>COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)C<mask_1:6>2)c1<mask_1:6> | 7 | 47 | 6 | CC(=O)N | 6 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CC(=O)N2)c1 | COc1cccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c1 | C(=O)N |
<|startoftext|><L>Cc1ccccc1OCC(=O)NC(=<mask_1:1>S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1<mask_1:1> | 0 | 20 | 1 | 1 | Cc1ccccc1OCC(=O)NC(=SS)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | S |
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<|startoftext|><L>Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c<mask_1:3>l)c(F)c2F)CC1<mask_1:3> | 6 | 35 | 3 | (F)c(C | 3 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)cc(Cl)c(F)c2F)CC1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | c(C |
<|startoftext|><L>Cc1ccccc1OC<mask_1:7>C(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1<mask_1:7> | 0 | 11 | 7 | 7 | Cc1ccccc1OCC(=O)OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | C(=O)OC |
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<|startoftext|><L>Cc1cccc<mask_1:4>CC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1<mask_1:4> | 3 | 7 | 4 | c1O | 4 | Cc1ccccc1OCCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | c1OC |
<|startoftext|><L>Cc1ccccc1OCC(=O)NC(=S)N<mask_1:1>N(c2c(F)c(F)c(Cl)c(F)c2F)CC1<mask_1:1> | 3 | 23 | 1 | 1CC | 1 | Cc1ccccc1OCC(=O)NC(=S)N1N(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | 1 |
<|startoftext|><L>Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c<mask_1:6>)c2F)CC1<mask_1:6> | 7 | 39 | 6 | (Cl)c(F | 6 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | (F)c(F |
<|startoftext|><L>Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(<mask_1:4>F)c2F)CC1<mask_1:4> | 5 | 40 | 4 | Cl)c( | 4 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | F)c( |
<|startoftext|><L>Cc1ccccc1OCC(=O)<mask_1:3>NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1<mask_1:3> | 0 | 16 | 3 | 3 | Cc1ccccc1OCC(=O)NCCNC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | NCC |
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<|startoftext|><L>Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F<mask_1:2>F)c(Cl)c(F)c2F)CC1<mask_1:2> | 3 | 33 | 2 | )c( | 2 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)(F)c(Cl)c(F)c2F)CC1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | )( |
<|startoftext|><L>Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F<mask_1:1>(F)c(Cl)c(F)c2F)CC1<mask_1:1> | 2 | 33 | 1 | )c | 1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)(F)c(Cl)c(F)c2F)CC1 | Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 | ) |
<|startoftext|><L>Cc1occc1C(=O<mask_1:3>Cc1csc(-c2ccccc2)n1<mask_1:3> | 2 | 12 | 3 | )N | 3 | Cc1occc1C(=O)NCCc1csc(-c2ccccc2)n1 | Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | )NC |
<|startoftext|><L>Cc1occc1C(=O)NCc1csc(<mask_1:4>-c2ccccc2)n1<mask_1:4> | 0 | 21 | 4 | 4 | Cc1occc1C(=O)NCc1csc(N(C)-c2ccccc2)n1 | Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | N(C) |
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<|startoftext|><L>Cc1occc1C(=O)NCc1csc<mask_1:1>c2ccccc2)n1<mask_1:1> | 2 | 20 | 1 | (- | 1 | Cc1occc1C(=O)NCc1csc(c2ccccc2)n1 | Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | ( |
<|startoftext|><L>Cc1occc1C(=O)NCc1csc(-<mask_1:2>cccc2)n1<mask_1:2> | 3 | 22 | 2 | c2c | 2 | Cc1occc1C(=O)NCc1csc(-n2cccc2)n1 | Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | n2 |
<|startoftext|><L>Cc1occc1C(=O)NCc1c<mask_1:3>(-c2ccccc2)n1<mask_1:3> | 2 | 18 | 3 | sc | 3 | Cc1occc1C(=O)NCc1cccc(-c2ccccc2)n1 | Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | ccc |
<|startoftext|><L>Cc1occc1C(=O)NCc1cs<mask_1:1>c2ccccc2)n1<mask_1:1> | 3 | 19 | 1 | c(- | 1 | Cc1occc1C(=O)NCc1cs(c2ccccc2)n1 | Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | ( |
<|startoftext|><L>Cc1occ<mask_1:4>C(=O)NCc1csc(-c2ccccc2)n1<mask_1:4> | 2 | 6 | 4 | c1 | 4 | Cc1occc1CNC(=O)NCc1csc(-c2ccccc2)n1 | Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | c1CN |
<|startoftext|><L>Cc1occc1C(=O<mask_1:2>c1csc(-c2ccccc2)n1<mask_1:2> | 3 | 12 | 2 | )NC | 2 | Cc1occc1C(=O)Nc1csc(-c2ccccc2)n1 | Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | )N |
<|startoftext|><L><mask_1:3>Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1<mask_1:3> | 0 | 0 | 3 | 3 | CCCCc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | CCC |
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<|startoftext|><L>Cc1occc1C<mask_1:1>O)NCc1csc(-c2ccccc2)n1<mask_1:1> | 2 | 9 | 1 | (= | 1 | Cc1occc1C(O)NCc1csc(-c2ccccc2)n1 | Cc1occc1C(=O)NCc1csc(-c2ccccc2)n1 | ( |
<|startoftext|><L>O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2cc<mask_1:3>2)CC1<mask_1:3> | 2 | 37 | 3 | co | 3 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccccc2)CC1 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | ccc |
<|startoftext|><L>O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)<mask_1:6>CC1<mask_1:6> | 0 | 41 | 6 | 6 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC(=O)CC1 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | CC(=O) |
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<|startoftext|><L>O=C(CSc1ccc2c(c1)C<mask_1:2>CC2)N1CCN(C(=O)c2ccco2)CC1<mask_1:2> | 0 | 18 | 2 | 2 | O=C(CSc1ccc2c(c1)CCCCC2)N1CCN(C(=O)c2ccco2)CC1 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | CC |
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<|startoftext|><L>O=C(CSc1ccc2c(c1)CCC2<mask_1:5>CCN(C(=O)c2ccco2)CC1<mask_1:5> | 3 | 21 | 5 | )N1 | 5 | O=C(CSc1ccc2c(c1)CCC2)NCC1CCN(C(=O)c2ccco2)CC1 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | )NCC1 |
<|startoftext|><L>O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2c<mask_1:5>C1<mask_1:5> | 6 | 36 | 5 | cco2)C | 5 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)C1 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | cco2) |
<|startoftext|><L>O=C(CSc1ccc2c(c1)CCC2)N1CC<mask_1:4>C(=O)c2ccco2)CC1<mask_1:4> | 2 | 26 | 4 | N( | 4 | O=C(CSc1ccc2c(c1)CCC2)N1CCC(CNC(=O)c2ccco2)CC1 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | C(CN |
<|startoftext|><L>O=C(CSc1c<mask_1:5>c2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1<mask_1:5> | 1 | 9 | 5 | c | 5 | O=C(CSc1cc(Cl)c2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | c(Cl) |
<|startoftext|><L>O=C(CSc1ccc2c(c1)CCC2)N<mask_1:3>C(=O)c2ccco2)CC1<mask_1:3> | 5 | 23 | 3 | 1CCN( | 3 | O=C(CSc1ccc2c(c1)CCC2)NC1(C(=O)c2ccco2)CC1 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | C1( |
<|startoftext|><L>O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=<mask_1:4>c2ccco2)CC1<mask_1:4> | 2 | 31 | 4 | O) | 4 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)NCc2ccco2)CC1 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | O)NC |
<|startoftext|><L>O=C(CSc1ccc2c(c1)C<mask_1:6>N1CCN(C(=O)c2ccco2)CC1<mask_1:6> | 4 | 18 | 6 | CC2) | 6 | O=C(CSc1ccc2c(c1)CCCC2)NN1CCN(C(=O)c2ccco2)CC1 | O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 | CCC2)N |
<|startoftext|><L>O[C@H](CN1CC[C@@H<mask_1:5>cncc2)C1)c1cccc(Cl)c1<mask_1:5> | 6 | 17 | 5 | ](Oc2c | 5 | O[C@H](CN1CC[C@@H](c2ccncc2)C1)c1cccc(Cl)c1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | ](c2c |
<|startoftext|><L>O[C@H](CN1CC[C<mask_1:5>@@H](Oc2ccncc2)C1)c1cccc(Cl)c1<mask_1:5> | 0 | 14 | 5 | 5 | O[C@H](CN1CC[C@H][C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | @H][C |
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<|startoftext|><L>O[C@H](CN1CC[C@@<mask_1:5>ccncc2)C1)c1cccc(Cl)c1<mask_1:5> | 6 | 16 | 5 | H](Oc2 | 5 | O[C@H](CN1CC[C@@H](c2ccncc2)C1)c1cccc(Cl)c1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | H](c2 |
<|startoftext|><L>O[C<mask_1:2>(CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1<mask_1:2> | 3 | 3 | 2 | @H] | 2 | O[CH](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | H] |
<|startoftext|><L>O[C@H](CN1<mask_1:5>@@H](Oc2ccncc2)C1)c1cccc(Cl)c1<mask_1:5> | 4 | 10 | 5 | CC[C | 5 | O[C@H](CN1CCC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | CCC[C |
<|startoftext|><L>O[C<mask_1:3>H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1<mask_1:3> | 1 | 3 | 3 | @ | 2 | O[C@@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | @@ |
<|startoftext|><L><mask_1:2>O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1<mask_1:2> | 0 | 0 | 2 | 2 | CCO[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | CC |
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<|startoftext|><L>O<mask_1:6>(CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1<mask_1:6> | 5 | 1 | 6 | [C@H] | 6 | O=S(=O)(CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | =S(=O) |
<|startoftext|><L><mask_1:1>O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1<mask_1:1> | 0 | 0 | 1 | 1 | CO[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | C |
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<|startoftext|><L>O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(<mask_1:1>)c1<mask_1:1> | 2 | 39 | 1 | Cl | 1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(F)c1 | O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 | F |
<|startoftext|><L>COc1ccc([C@H]2NC(<mask_1:4>ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O<mask_1:4> | 7 | 17 | 4 | =S)N(c3 | 4 | COc1ccc([C@H]2NC(=Nc3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | =Nc3 |
<|startoftext|><L>COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3<mask_1:9>)=C2C(=O)Nc2cc(C)on2)cc1O<mask_1:9> | 4 | 33 | 9 | )C(C | 9 | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3C)C(C(C)C)=C2C(=O)Nc2cc(C)on2)cc1O | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | C)C(C(C)C |
<|startoftext|><L>COc1ccc([C@H]<mask_1:3>=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O<mask_1:3> | 4 | 13 | 3 | 2NC( | 3 | COc1ccc([C@H]2C(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | 2C( |
<|startoftext|><L>COc1ccc([C@H]2N<mask_1:1>(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O<mask_1:1> | 6 | 15 | 1 | C(=S)N | 1 | COc1ccc([C@H]2NC(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | C |
<|startoftext|><L>COc1ccc<mask_1:7>]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O<mask_1:7> | 5 | 7 | 7 | ([C@H | 6 | COc1ccc([C@@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | ([C@@H |
<|startoftext|><L>COc1ccc([C@H]<mask_1:3>NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O<mask_1:3> | 1 | 13 | 3 | 2 | 3 | COc1ccc([C@H]2CCNC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | 2CC |
<|startoftext|><L>COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2<mask_1:5>1O<mask_1:5> | 3 | 57 | 5 | )cc | 5 | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)c(C)1O | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | )c(C) |
<|startoftext|><L>COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C<mask_1:4>)Nc2cc(C)on2)cc1O<mask_1:4> | 3 | 42 | 4 | (=O | 4 | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2CC(=O)Nc2cc(C)on2)cc1O | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | C(=O |
<|startoftext|><L>COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O<mask_1:5>2cc(C)on2)cc1O<mask_1:5> | 3 | 45 | 5 | )Nc | 5 | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)NCCc2cc(C)on2)cc1O | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | )NCCc |
<|startoftext|><L>COc1ccc([C@H]2NC(=S)N(c3ccc<mask_1:9>c3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O<mask_1:9> | 4 | 27 | 9 | (C)c | 9 | COc1ccc([C@H]2NC(=S)N(c3cccc(OC(F)F)c3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O | c(OC(F)F) |
<|startoftext|><L>CN<mask_1:6>C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1<mask_1:6> | 3 | 2 | 6 | (C[ | 6 | CN(CCCC[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | (CCCC[ |
<|startoftext|><L>CN(C[C@H]1Cc<mask_1:7>cc2CN1C)c1cncc(C(=O)N2CCOCC2)n1<mask_1:7> | 4 | 12 | 7 | 2ccc | 7 | CN(C[C@H]1Cc2cc(F)ccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | 2cc(F)c |
<|startoftext|><L>CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2C<mask_1:6>1<mask_1:6> | 7 | 39 | 6 | COCC2)n | 6 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCCC2)n1 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | CCC2)n |
<|startoftext|><L>CN(C[C@H]1Cc2ccccc2CN1C)<mask_1:7>(C(=O)N2CCOCC2)n1<mask_1:7> | 6 | 24 | 7 | c1cncc | 7 | CN(C[C@H]1Cc2ccccc2CN1C)Cc1cccc(C(=O)N2CCOCC2)n1 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | Cc1cccc |
<|startoftext|><L>CN(C[C@H]1Cc2cc<mask_1:4>cc2CN1C)c1cncc(C(=O)N2CCOCC2)n1<mask_1:4> | 1 | 15 | 4 | c | 4 | CN(C[C@H]1Cc2ccc(F)cc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | c(F) |
<|startoftext|><L>CN(C<mask_1:2>C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1<mask_1:2> | 1 | 4 | 2 | [ | 2 | CN(CC[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | C[ |
<|startoftext|><L>CN(C[C@H]1Cc2ccccc2CN1C<mask_1:4>c(C(=O)N2CCOCC2)n1<mask_1:4> | 6 | 23 | 4 | )c1cnc | 4 | CN(C[C@H]1Cc2ccccc2CN1C)c1cc(C(=O)N2CCOCC2)n1 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | )c1c |
<|startoftext|><L>CN(C[C@H]1Cc2ccccc2<mask_1:2>c1cncc(C(=O)N2CCOCC2)n1<mask_1:2> | 5 | 19 | 2 | CN1C) | 2 | CN(C[C@H]1Cc2ccccc21)c1cncc(C(=O)N2CCOCC2)n1 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | 1) |
<|startoftext|><L>CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)<mask_1:3>CCOCC2)n1<mask_1:3> | 2 | 36 | 3 | N2 | 3 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCCOCC2)n1 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | N2C |
<|startoftext|><L>CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O<mask_1:7>2CCOCC2)n1<mask_1:7> | 2 | 35 | 7 | )N | 7 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N(C)CC2CCOCC2)n1 | CN(C[C@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 | )N(C)CC |
<|startoftext|><L>C[C@@]1(NS<mask_1:2>=O)c2ccc(Br)cc2F)CCOC1<mask_1:2> | 5 | 10 | 2 | (=O)( | 2 | C[C@@]1(NSC(=O)c2ccc(Br)cc2F)CCOC1 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | C( |
<|startoftext|><L>C[C@@]1(<mask_1:2>=O)(=O)c2ccc(Br)cc2F)CCOC1<mask_1:2> | 3 | 8 | 2 | NS( | 2 | C[C@@]1(S(=O)(=O)c2ccc(Br)cc2F)CCOC1 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | S( |
<|startoftext|><L>C[C@@]1(NS(=O)(=<mask_1:5>)c2ccc(Br)cc2F)CCOC1<mask_1:5> | 1 | 16 | 5 | O | 5 | C[C@@]1(NS(=O)(=O)N(C)c2ccc(Br)cc2F)CCOC1 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | O)N(C |
<|startoftext|><L>C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2<mask_1:3>)CCOC1<mask_1:3> | 1 | 30 | 3 | F | 3 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2C#N)CCOC1 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | C#N |
<|startoftext|><L>C[C@@]1(NS(=O)(=O)c2cc<mask_1:5>(Br)cc2F)CCOC1<mask_1:5> | 1 | 22 | 5 | c | 5 | C[C@@]1(NS(=O)(=O)c2cc(Br)c(Br)cc2F)CCOC1 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | (Br)c |
<|startoftext|><L>C[C@@]1(N<mask_1:1>O)(=O)c2ccc(Br)cc2F)CCOC1<mask_1:1> | 3 | 9 | 1 | S(= | 1 | C[C@@]1(N(O)(=O)c2ccc(Br)cc2F)CCOC1 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | ( |
<|startoftext|><L>C[C@<mask_1:3>S(=O)(=O)c2ccc(Br)cc2F)CCOC1<mask_1:3> | 5 | 4 | 3 | @]1(N | 3 | C[C@]1(S(=O)(=O)c2ccc(Br)cc2F)CCOC1 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | ]1( |
<|startoftext|><L>C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2<mask_1:2>C1<mask_1:2> | 5 | 30 | 2 | F)CCO | 2 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2)CC1 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | )C |
<|startoftext|><L>C[C@@]1(NS(<mask_1:1>O)c2ccc(Br)cc2F)CCOC1<mask_1:1> | 5 | 11 | 1 | =O)(= | 1 | C[C@@]1(NS(=O)c2ccc(Br)cc2F)CCOC1 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | = |
<|startoftext|><L>C[C<mask_1:2>(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1<mask_1:2> | 4 | 3 | 2 | @@]1 | 2 | C[C]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 | ]1 |