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stringlengths 49
261
| first_mask_count
int64 0
16
| first_start_index
int64 0
198
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
29
| generated_smiles
stringlengths 12
233
| original_smiles
stringlengths 12
223
| generated_tokens
stringlengths 0
29
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1C<mask_1:5>C(=O)c1cccs1<mask_1:5> | 4 | 34 | 5 | CCN1 | 5 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | CCCN1 |
<|startoftext|><L>CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C<mask_1:6>=O)c1cccs1<mask_1:6> | 1 | 39 | 6 | ( | 6 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)C(=O)c1cccs1 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | (=O)C( |
<|startoftext|><L>CCN(Cc1ccccc1)<mask_1:6>=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1<mask_1:6> | 2 | 14 | 6 | C( | 6 | CCN(Cc1ccccc1)S(=O)(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | S(=O)( |
<|startoftext|><L>CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]<mask_1:3>N1C(=O)c1cccs1<mask_1:3> | 4 | 32 | 3 | 1CCC | 3 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCN1C(=O)c1cccs1 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | 1CC |
<|startoftext|><L>CCN(Cc1ccccc1)C(=O)COC(=O)[C<mask_1:3>CCCN1C(=O)c1cccs1<mask_1:3> | 5 | 28 | 3 | @@H]1 | 3 | CCN(Cc1ccccc1)C(=O)COC(=O)[CH]1CCCN1C(=O)c1cccs1 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | H]1 |
<|startoftext|><L>CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C<mask_1:3>=O)c1cccs1<mask_1:3> | 1 | 39 | 3 | ( | 3 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1CCC(=O)c1cccs1 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | CC( |
<|startoftext|><L>CCN(<mask_1:6>1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1<mask_1:6> | 2 | 4 | 6 | Cc | 6 | CCN(CC(C)c1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | CC(C)c |
<|startoftext|><L>CCN(Cc1ccccc1)C(=<mask_1:2>C(=O)[C@@H]1CCCN1C(=O)c1cccs1<mask_1:2> | 4 | 17 | 2 | O)CO | 2 | CCN(Cc1ccccc1)C(=O)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | O) |
<|startoftext|><L>CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]<mask_1:6>(=O)c1cccs1<mask_1:6> | 7 | 32 | 6 | 1CCCN1C | 6 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1(=O)c1cccs1 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | 1CCCN1 |
<|startoftext|><L>CCN<mask_1:4>Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1<mask_1:4> | 1 | 3 | 4 | ( | 4 | CCN(CCCCc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 | (CCC |
<|startoftext|><L><mask_1:3>CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1<mask_1:3> | 0 | 0 | 3 | 3 | C#CCN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | C#C |
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<|startoftext|><L>CN(Cc1cc<mask_1:6>=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1<mask_1:6> | 1 | 8 | 6 | ( | 6 | CN(Cc1cc(=O)c(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | (=O)c( |
<|startoftext|><L>CN(Cc1cc(=O)c(O)co1)C[C@@<mask_1:5>CN(Cc2ccccc2)C1<mask_1:5> | 4 | 25 | 5 | H]1C | 5 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCCN(Cc2ccccc2)C1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | H]1CC |
<|startoftext|><L>CN(<mask_1:3>c1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1<mask_1:3> | 1 | 3 | 3 | C | 3 | CN(CCCc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | CCC |
<|startoftext|><L>CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN<mask_1:1>c2ccccc2)C1<mask_1:1> | 2 | 31 | 1 | (C | 1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(c2ccccc2)C1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | ( |
<|startoftext|><L>CN(Cc1cc(=O)c(O)co1)C[C@@H]1<mask_1:6>c2ccccc2)C1<mask_1:6> | 5 | 28 | 6 | CCN(C | 6 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCCN(Cc2ccccc2)C1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | CCCN(C |
<|startoftext|><L>CN(Cc1cc(=O)c(O)co1)C[C@<mask_1:2>N(Cc2ccccc2)C1<mask_1:2> | 6 | 24 | 2 | @H]1CC | 2 | CN(Cc1cc(=O)c(O)co1)C[C@]1N(Cc2ccccc2)C1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | ]1 |
<|startoftext|><L>CN<mask_1:5>(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1<mask_1:5> | 0 | 2 | 5 | 5 | CN(C)CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | (C)CN |
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<|startoftext|><L>CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(C<mask_1:3>cc2)C1<mask_1:3> | 5 | 33 | 3 | c2ccc | 3 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(C2cccc2)C1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | 2cc |
<|startoftext|><L>CN(Cc1cc(=O)c(O)co1<mask_1:5>)C[C@@H]1CCN(Cc2ccccc2)C1<mask_1:5> | 0 | 19 | 5 | 5 | CN(Cc1cc(=O)c(O)co1)C(=O)C[C@@H]1CCN(Cc2ccccc2)C1 | CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 | )C(=O |
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<|startoftext|><L>COC(=O)c1<mask_1:8>c(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC<mask_1:8> | 1 | 9 | 8 | c | 8 | COC(=O)c1c(N(C)C)c(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | c(N(C)C) |
<|startoftext|><L>COC(=O)c<mask_1:6>cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC<mask_1:6> | 1 | 8 | 6 | 1 | 6 | COC(=O)c1c(=O)cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | 1c(=O) |
<|startoftext|><L>COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc<mask_1:6>=O)n2-c1ccccc1OC<mask_1:6> | 7 | 36 | 6 | cc1C)c( | 6 | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccccc1OC | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | cc1)c( |
<|startoftext|><L><mask_1:3>=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC<mask_1:3> | 4 | 0 | 3 | COC( | 3 | CC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | CC( |
<|startoftext|><L>COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cc<mask_1:8>ccc1C)c(=O)n2-c1ccccc1OC<mask_1:8> | 0 | 35 | 8 | 8 | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1-n1cccc1C)c(=O)n2-c1ccccc1OC | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | ccc1-n1c |
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<|startoftext|><L>COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc<mask_1:6>1C)c(=O)n2-c1ccccc1OC<mask_1:6> | 2 | 36 | 6 | cc | 6 | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cccc(OC)c1C)c(=O)n2-c1ccccc1OC | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | c(OC)c |
<|startoftext|><L>COC(=O)c1cc(C2CC2)nc2c1c(=O)n(C<mask_1:7>C)c(=O)n2-c1ccccc1OC<mask_1:7> | 8 | 31 | 7 | c1ccccc1 | 8 | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | c1ccccc1 |
<|startoftext|><L>COC(=O)c1cc(C2CC2)nc2c1c(=<mask_1:6>ccccc1C)c(=O)n2-c1ccccc1OC<mask_1:6> | 7 | 26 | 6 | O)n(Cc1 | 6 | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(c1ccccc1C)c(=O)n2-c1ccccc1OC | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | O)n(c1 |
<|startoftext|><L>COC(=O<mask_1:2>c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC<mask_1:2> | 1 | 6 | 2 | ) | 2 | COC(=O)Cc1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | )C |
<|startoftext|><L>COC(=O)c1cc(C<mask_1:6>2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC<mask_1:6> | 3 | 13 | 6 | 2CC | 6 | COC(=O)c1cc(C2CCCCC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC | 2CCCCC |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cc<mask_1:7>2)cc1C<mask_1:7> | 3 | 39 | 7 | cnc | 7 | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(CC)cc2)cc1C | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | c(CC)cc |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2<mask_1:6>c2)cc1C<mask_1:6> | 4 | 37 | 6 | cccn | 6 | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cnn(C)c2)cc1C | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | cnn(C) |
<|startoftext|><L>CCOc<mask_1:6>S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C<mask_1:6> | 5 | 4 | 6 | 1ccc( | 6 | CCOc1ccc(CS(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | 1ccc(C |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N[C@@H](C)C<mask_1:4>Cc2cccnc2)cc1C<mask_1:4> | 5 | 29 | 4 | (=O)N | 4 | CCOc1ccc(S(=O)(=O)N[C@@H](C)CN(C)Cc2cccnc2)cc1C | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | N(C) |
<|startoftext|><L>CCOc1ccc(S(=<mask_1:7>(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C<mask_1:7> | 2 | 12 | 7 | O) | 7 | CCOc1ccc(S(=O)(=O)C(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | O)(=O)C |
<|startoftext|><L>CCOc1<mask_1:6>c(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C<mask_1:6> | 2 | 5 | 6 | cc | 6 | CCOc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | cc(Cl) |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N[C@@H](<mask_1:3>)NCc2cccnc2)cc1C<mask_1:3> | 6 | 26 | 3 | C)C(=O | 3 | CCOc1ccc(S(=O)(=O)N[C@@H](C=O)NCc2cccnc2)cc1C | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | C=O |
<|startoftext|><L>CCOc1cc<mask_1:4>(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C<mask_1:4> | 3 | 7 | 4 | c(S | 4 | CCOc1ccc(CS(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | c(CS |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=<mask_1:7>cccnc2)cc1C<mask_1:7> | 6 | 31 | 7 | O)NCc2 | 7 | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2cccnc2)cc1C | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | O)NCCc2 |
<|startoftext|><L>CCOc1ccc(S(<mask_1:3>N[C@@H](C)C(=O)NCc2cccnc2)cc1C<mask_1:3> | 7 | 11 | 3 | =O)(=O) | 3 | CCOc1ccc(S(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C | =O) |
<|startoftext|><L>CC(C)<mask_1:4>CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1<mask_1:4> | 3 | 5 | 4 | (C) | 4 | CC(C)(C)CCC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | (C)C |
<|startoftext|><L>CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc<mask_1:5>F)CC1<mask_1:5> | 1 | 43 | 5 | 2 | 5 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2C(F)F)CC1 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | 2C(F) |
<|startoftext|><L>CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN<mask_1:5>c2F)CC1<mask_1:5> | 7 | 35 | 5 | (c2cccc | 5 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccc2F)CC1 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | (c2cc |
<|startoftext|><L>C<mask_1:3>C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1<mask_1:3> | 5 | 1 | 3 | C(C)( | 3 | C=C(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | =C( |
<|startoftext|><L>CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc<mask_1:3>1<mask_1:3> | 5 | 43 | 3 | 2F)CC | 3 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)C1 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | 2)C |
<|startoftext|><L>CC(C)(C<mask_1:4>NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1<mask_1:4> | 7 | 7 | 4 | )CC(=O) | 4 | CC(C)(C#N)CNC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | #N)C |
<|startoftext|><L>CC(C)(C)CC(=O<mask_1:6>)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1<mask_1:6> | 0 | 13 | 6 | 6 | CC(C)(C)CC(=O)NC(=S)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | )NC(=S |
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<|startoftext|><L>CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2cccc<mask_1:6>CC1<mask_1:6> | 4 | 42 | 6 | c2F) | 6 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2cccc(F)c2)CC1 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | (F)c2) |
<|startoftext|><L>CC(C)(C)CC(=O)NC[C@H](c1ccc<mask_1:7>)N1CCN(c2ccccc2F)CC1<mask_1:7> | 2 | 27 | 7 | o1 | 7 | CC(C)(C)CC(=O)NC[C@H](c1cccc(Cl)c1)N1CCN(c2ccccc2F)CC1 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | c(Cl)c1 |
<|startoftext|><L><mask_1:5>(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1<mask_1:5> | 2 | 0 | 5 | CC | 5 | C[N+](C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 | C[N+] |
<|startoftext|><L>COc1ccc(C(=O)NCc2ccc(OC)<mask_1:5>)c2OC)cc1<mask_1:5> | 4 | 24 | 5 | c(OC | 5 | COc1ccc(C(=O)NCc2ccc(OC)c(OCC)c2OC)cc1 | COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | c(OCC |
<|startoftext|><L>COc1ccc(C(=O)NCc2ccc(O<mask_1:5>(OC)c2OC)cc1<mask_1:5> | 3 | 22 | 5 | C)c | 5 | COc1ccc(C(=O)NCc2ccc(OC#N)c(OC)c2OC)cc1 | COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | C#N)c |
<|startoftext|><L>COc1ccc(C(=O)NCc2ccc(O<mask_1:4>C)c2OC)cc1<mask_1:4> | 5 | 22 | 4 | C)c(O | 4 | COc1ccc(C(=O)NCc2ccc(OC)c(C)c2OC)cc1 | COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | C)c( |
<|startoftext|><L>COc1ccc(<mask_1:2>O)NCc2ccc(OC)c(OC)c2OC)cc1<mask_1:2> | 3 | 8 | 2 | C(= | 2 | COc1ccc(C(O)NCc2ccc(OC)c(OC)c2OC)cc1 | COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | C( |
<|startoftext|><L>COc1<mask_1:5>cc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1<mask_1:5> | 1 | 4 | 5 | c | 5 | COc1c(OC)cc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | c(OC) |
<|startoftext|><L>COc1ccc(C(=O<mask_1:4>ccc(OC)c(OC)c2OC)cc1<mask_1:4> | 5 | 12 | 4 | )NCc2 | 4 | COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2OC)cc1 | COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | )Nc2 |
<|startoftext|><L>COc1ccc(C(=O)NCc2ccc(OC)c(<mask_1:3>2OC)cc1<mask_1:3> | 4 | 26 | 3 | OC)c | 3 | COc1ccc(C(=O)NCc2ccc(OC)c(C)c2OC)cc1 | COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | C)c |
<|startoftext|><L>COc1ccc(C(=O)NCc2<mask_1:4>cc(OC)c(OC)c2OC)cc1<mask_1:4> | 1 | 17 | 4 | c | 4 | COc1ccc(C(=O)NCc2c(C)cc(OC)c(OC)c2OC)cc1 | COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | c(C) |
<|startoftext|><L>COc1ccc(C(=O)NCc2ccc(OC<mask_1:5>c(OC)c2OC)cc1<mask_1:5> | 1 | 23 | 5 | ) | 5 | COc1ccc(C(=O)NCc2ccc(OC(F)F)c(OC)c2OC)cc1 | COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | (F)F) |
<|startoftext|><L><mask_1:5>ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1<mask_1:5> | 4 | 0 | 5 | COc1 | 5 | CCOc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 | CCOc1 |
<|startoftext|><L>CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=<mask_1:3>2)CC[C@H]1O<mask_1:3> | 4 | 32 | 3 | O)cn | 4 | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | O)cn |
<|startoftext|><L>CCC[C@@]1<mask_1:7>CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O<mask_1:7> | 4 | 9 | 7 | (CO) | 7 | CCC[C@@]1(CO)COCCN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | (CO)COC |
<|startoftext|><L>CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)C<mask_1:4>O<mask_1:4> | 7 | 39 | 4 | C[C@H]1 | 4 | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CCC1=O | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | CC1= |
<|startoftext|><L>CCC<mask_1:2>(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O<mask_1:2> | 6 | 3 | 2 | [C@@]1 | 2 | CCCC1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | C1 |
<|startoftext|><L>CCC<mask_1:2>(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O<mask_1:2> | 6 | 3 | 2 | [C@@]1 | 2 | CCCC1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | C1 |
<|startoftext|><L>CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC<mask_1:2>H]1O<mask_1:2> | 3 | 40 | 2 | [C@ | 2 | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[CH]1O | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | [C |
<|startoftext|><L>CCC[C@@]1(CO)CN(c2cc<mask_1:3>CS(C)(=O)=O)cn2)CC[C@H]1O<mask_1:3> | 2 | 20 | 3 | c( | 3 | CCC[C@@]1(CO)CN(c2ccc(CCS(C)(=O)=O)cn2)CC[C@H]1O | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | c(C |
<|startoftext|><L>CCC<mask_1:6>1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O<mask_1:6> | 5 | 3 | 6 | [C@@] | 6 | CCCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | C[C@@] |
<|startoftext|><L>CCC[C@@]1(<mask_1:4>(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O<mask_1:4> | 5 | 10 | 4 | CO)CN | 4 | CCC[C@@]1(CO)N(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | CO)N |
<|startoftext|><L>C<mask_1:6>C[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O<mask_1:6> | 1 | 1 | 6 | C | 6 | CNC(=O)C[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O | NC(=O) |
<|startoftext|><L>CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCC<mask_1:5>c1C<mask_1:5> | 3 | 33 | 5 | C2) | 5 | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCCCC2)c1C | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | CCC2) |
<|startoftext|><L>CCc1n[nH]c(C(=O)N[C@@H](C)C<mask_1:5>CCCCC2)c1C<mask_1:5> | 2 | 27 | 5 | 2= | 5 | CCc1n[nH]c(C(=O)N[C@@H](C)CCOC2CCCCCC2)c1C | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | COC2C |
<|startoftext|><L><mask_1:5>CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C<mask_1:5> | 0 | 0 | 5 | 5 | CC(C)CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | CC(C) |
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<|startoftext|><L>CCc1n[nH]c(C(=O)N[C@@H](C)<mask_1:3>CCC2)c1C<mask_1:3> | 5 | 26 | 3 | C2=CC | 3 | CCc1n[nH]c(C(=O)N[C@@H](C)C2CCCC2)c1C | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | C2C |
<|startoftext|><L><mask_1:2>Cc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C<mask_1:2> | 1 | 0 | 2 | C | 2 | CCCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | CC |
<|startoftext|><L>CCc1n[nH]c(C(=O)N[C@@H](C)<mask_1:5>CCCC2)c1C<mask_1:5> | 4 | 26 | 5 | C2=C | 5 | CCc1n[nH]c(C(=O)N[C@@H](C)COC2CCCCC2)c1C | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | COC2C |
<|startoftext|><L>CCc1n[nH]c(C(=O)N[C@@H](C)C2=<mask_1:2>C2)c1C<mask_1:2> | 4 | 29 | 2 | CCCC | 3 | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCC2)c1C | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | CCC |
<|startoftext|><L>CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2<mask_1:1>)c1C<mask_1:1> | 0 | 35 | 1 | 1 | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2C)c1C | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | C |
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<|startoftext|><L>CC<mask_1:5>c1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C<mask_1:5> | 0 | 2 | 5 | 5 | CC(=O)Nc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | (=O)N |
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<|startoftext|><L>CCc1n[nH]c(C(=O<mask_1:5>@@H](C)C2=CCCCC2)c1C<mask_1:5> | 4 | 15 | 5 | )N[C | 5 | CCc1n[nH]c(C(=O)NC[C@@H](C)C2=CCCCC2)c1C | CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCCCC2)c1C | )NC[C |
<|startoftext|><L>O=C(CN1C(=<mask_1:3>(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1<mask_1:3> | 5 | 10 | 3 | O)S/C | 3 | O=C(CN1C(=O)S(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | O)S |
<|startoftext|><L>O=C(CN1C(=O)S/C<mask_1:7>/c2ccc(O)c(Br)c2)C1=O)c1ccccc1<mask_1:7> | 3 | 15 | 7 | (=C | 7 | O=C(CN1C(=O)S/C(=C/C=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | (=C/C=C |
<|startoftext|><L>O=C(CN1C(=O)S/C(=C/<mask_1:6>ccc(O)c(Br)c2)C1=O)c1ccccc1<mask_1:6> | 2 | 19 | 6 | c2 | 6 | O=C(CN1C(=O)S/C(=C/C=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | C=C/c2 |
<|startoftext|><L>O=C(<mask_1:6>1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1<mask_1:6> | 2 | 4 | 6 | CN | 6 | O=C(N[C@H]1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | N[C@H] |
<|startoftext|><L>O=C(CN1C(=O)S/C(=C/c2cc<mask_1:3>r)c2)C1=O)c1ccccc1<mask_1:3> | 7 | 23 | 3 | c(O)c(B | 3 | O=C(CN1C(=O)S/C(=C/c2ccn(Br)c2)C1=O)c1ccccc1 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | n(B |
<|startoftext|><L>O=C(CN1C(=O<mask_1:2>C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1<mask_1:2> | 3 | 11 | 2 | )S/ | 2 | O=C(CN1C(=O)SC(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | )S |
<|startoftext|><L>O=C(<mask_1:4>C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1<mask_1:4> | 3 | 4 | 4 | CN1 | 4 | O=C(CCN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | CCN1 |
<|startoftext|><L>O=C(CN1C(=O)<mask_1:4>c2ccc(O)c(Br)c2)C1=O)c1ccccc1<mask_1:4> | 7 | 12 | 4 | S/C(=C/ | 4 | O=C(CN1C(=O)N=C(c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | N=C( |
<|startoftext|><L>O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1<mask_1:2>1ccccc1<mask_1:2> | 4 | 37 | 2 | =O)c | 2 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1)c1ccccc1 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | )c |
<|startoftext|><L>O=C(CN1C(=O)S/C(=C<mask_1:7>cc(O)c(Br)c2)C1=O)c1ccccc1<mask_1:7> | 4 | 18 | 7 | /c2c | 7 | O=C(CN1C(=O)S/C(=C/c2c(F)cc(O)c(Br)c2)C1=O)c1ccccc1 | O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccccc1 | /c2c(F) |
<|startoftext|><L>COCc1nn2c(ncc3c(=O)n(Cc4cc<mask_1:5>)ccc32)c1-c1ccc(Cl)cc1<mask_1:5> | 4 | 26 | 5 | ccc4 | 5 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4F)ccc32)c1-c1ccc(Cl)cc1 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | ccc4F |
<|startoftext|><L>COCc1nn2c(ncc3c(=O)n(<mask_1:3>cc4)ccc32)c1-c1ccc(Cl)cc1<mask_1:3> | 6 | 21 | 3 | Cc4ccc | 3 | COCc1nn2c(ncc3c(=O)n(C4Ccc4)ccc32)c1-c1ccc(Cl)cc1 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | C4C |
<|startoftext|><L>COCc1nn2c<mask_1:6>ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1<mask_1:6> | 1 | 9 | 6 | ( | 6 | COCc1nn2c(c(=O)ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | (c(=O) |
<|startoftext|><L>COCc1nn<mask_1:3>c3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1<mask_1:3> | 5 | 7 | 3 | 2c(nc | 3 | COCc1nn2c(c3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | 2c( |
<|startoftext|><L>COCc1nn<mask_1:4>c3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1<mask_1:4> | 5 | 7 | 4 | 2c(nc | 4 | COCc1nn2c(sc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | 2c(s |
<|startoftext|><L>COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(C<mask_1:5>cc1<mask_1:5> | 2 | 47 | 5 | l) | 5 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(C(C)C)cc1 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | (C)C) |
<|startoftext|><L>COCc1nn2c(ncc3c(=O)n(<mask_1:4>c4ccccc4)ccc32)c1-c1ccc(Cl)cc1<mask_1:4> | 1 | 21 | 4 | C | 4 | COCc1nn2c(ncc3c(=O)n(N(C)c4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | N(C) |
<|startoftext|><L>COCc1nn2c(ncc3c(=O)n(C<mask_1:7>cccc4)ccc32)c1-c1ccc(Cl)cc1<mask_1:7> | 3 | 22 | 7 | c4c | 7 | COCc1nn2c(ncc3c(=O)n(C(=O)c4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | (=O)c4c |
<|startoftext|><L>COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)<mask_1:6>1<mask_1:6> | 2 | 49 | 6 | cc | 6 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)c(Cl)c1 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | c(Cl)c |
<|startoftext|><L>COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1c<mask_1:4>)cc1<mask_1:4> | 5 | 43 | 4 | cc(Cl | 4 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(F)cc1 | COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 | cc(F |