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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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| original_smiles
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<|startoftext|><L>FC(F)<mask_1:2>F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1<mask_1:2> | 1 | 5 | 2 | ( | 2 | FC(F)(CF)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | (C |
<|startoftext|><L>FC(F)(F)c1cnc(N2CCC(Oc3cnccn<mask_1:5>C2)s1<mask_1:5> | 3 | 28 | 5 | 3)C | 5 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CCCC2)s1 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | 3)CCC |
<|startoftext|><L>FC(F<mask_1:1>c1cnc(N2CCC(Oc3cnccn3)CC2)s1<mask_1:1> | 4 | 4 | 1 | )(F) | 1 | FC(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | ) |
<|startoftext|><L>FC(F)(F)c1cnc(N2CCC(Oc3cnc<mask_1:2>)CC2)s1<mask_1:2> | 3 | 26 | 2 | cn3 | 2 | FC(F)(F)c1cnc(N2CCC(Oc3cncs3)CC2)s1 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | s3 |
<|startoftext|><L>FC(F)(F)c1cnc(N2CCC(Oc3cncc<mask_1:3>)CC2)s1<mask_1:3> | 2 | 27 | 3 | n3 | 3 | FC(F)(F)c1cnc(N2CCC(Oc3cnccc3I)CC2)s1 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | c3I |
<|startoftext|><L>FC(F)(F)c1cnc(N2CCC(Oc3cnccn<mask_1:2>2)s1<mask_1:2> | 4 | 28 | 2 | 3)CC | 2 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)2)s1 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | 3) |
<|startoftext|><L>FC(F)(F)c1cnc<mask_1:4>C(Oc3cnccn3)CC2)s1<mask_1:4> | 5 | 13 | 4 | (N2CC | 4 | FC(F)(F)c1cnc(N2CC(Oc3cnccn3)CC2)s1 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | (N2C |
<|startoftext|><L>FC(F)(F)c1cnc(N2CCC(Oc3<mask_1:4>nccn3)CC2)s1<mask_1:4> | 1 | 23 | 4 | c | 4 | FC(F)(F)c1cnc(N2CCC(Oc3c(F)nccn3)CC2)s1 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | c(F) |
<|startoftext|><L>FC(F)(F)c1cnc<mask_1:5>CCC(Oc3cnccn3)CC2)s1<mask_1:5> | 3 | 13 | 5 | (N2 | 5 | FC(F)(F)c1cnc(CN2CCCC(Oc3cnccn3)CC2)s1 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | (CN2C |
<|startoftext|><L>FC(F)(F)c1cnc(N2CCC(Oc3cncc<mask_1:5>3)CC2)s1<mask_1:5> | 1 | 27 | 5 | n | 5 | FC(F)(F)c1cnc(N2CCC(Oc3cncc(Br)c3)CC2)s1 | FC(F)(F)c1cnc(N2CCC(Oc3cnccn3)CC2)s1 | (Br)c |
<|startoftext|><L>CC<mask_1:4>c1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1<mask_1:4> | 0 | 2 | 4 | 4 | CC(=O)c1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | (=O) |
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<|startoftext|><L>CCc1nn2c(-n3n<mask_1:1>cc3C)cc(C)nc2c1-c1ccccc1<mask_1:1> | 4 | 13 | 1 | c(C) | 1 | CCc1nn2c(-n3nccc3C)cc(C)nc2c1-c1ccccc1 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | c |
<|startoftext|><L>CCc1nn2c(-n3nc(<mask_1:3>)cc3C)cc(C)nc2c1-c1ccccc1<mask_1:3> | 1 | 15 | 3 | C | 3 | CCc1nn2c(-n3nc(C=O)cc3C)cc(C)nc2c1-c1ccccc1 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | C=O |
<|startoftext|><L>CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1<mask_1:6>cccc1<mask_1:6> | 4 | 32 | 6 | -c1c | 6 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1C=Cc1ccccc1 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | C=Cc1c |
<|startoftext|><L>CCc1nn2c(<mask_1:5>nc(C)cc3C)cc(C)nc2c1-c1ccccc1<mask_1:5> | 3 | 9 | 5 | -n3 | 5 | CCc1nn2c(CNc3nnc(C)cc3C)cc(C)nc2c1-c1ccccc1 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | CNc3n |
<|startoftext|><L><mask_1:3>n2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1<mask_1:3> | 5 | 0 | 3 | CCc1n | 3 | c1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | c1n |
<|startoftext|><L>C<mask_1:6>1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1<mask_1:6> | 2 | 1 | 6 | Cc | 6 | CC(=O)c1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | C(=O)c |
<|startoftext|><L>C<mask_1:1>1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1<mask_1:1> | 2 | 1 | 1 | Cc | 1 | Cc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | c |
<|startoftext|><L>CCc1nn2c(-n3nc<mask_1:1>c3C)cc(C)nc2c1-c1ccccc1<mask_1:1> | 4 | 14 | 1 | (C)c | 1 | CCc1nn2c(-n3nccc3C)cc(C)nc2c1-c1ccccc1 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | c |
<|startoftext|><L>CCc1nn<mask_1:1>2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1<mask_1:1> | 0 | 6 | 1 | 1 | CCc1nnc2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccccc1 | c |
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<|startoftext|><L>O=C(c1ccc2c(c1)CCC2)<mask_1:2>OC[C@@H](CO)C1<mask_1:2> | 4 | 20 | 2 | N1CC | 2 | O=C(c1ccc2c(c1)CCC2)N1OC[C@@H](CO)C1 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | N1 |
<|startoftext|><L>O=C(c1ccc2c(c1)CCC2<mask_1:4>OC[C@@H](CO)C1<mask_1:4> | 5 | 19 | 4 | )N1CC | 4 | O=C(c1ccc2c(c1)CCC2)N1COC[C@@H](CO)C1 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | )N1C |
<|startoftext|><L>O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H]<mask_1:4>1<mask_1:4> | 5 | 32 | 4 | (CO)C | 4 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](O)C1 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | (O)C |
<|startoftext|><L>O=C(c1ccc2c(c1)CCC2<mask_1:2>)N1CCOC[C@@H](CO)C1<mask_1:2> | 0 | 19 | 2 | 2 | O=C(c1ccc2c(c1)CCC2=O)N1CCOC[C@@H](CO)C1 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | =O |
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<|startoftext|><L>O=C(c1ccc2c(c1)CCC2)N1CCO<mask_1:5>C[C@@H](CO)C1<mask_1:5> | 0 | 25 | 5 | 5 | O=C(c1ccc2c(c1)CCC2)N1CCOC(=O)C[C@@H](CO)C1 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | C(=O) |
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<|startoftext|><L>O=C(c1ccc2c(c1)CCC2)N1C<mask_1:4>@@H](CO)C1<mask_1:4> | 5 | 23 | 4 | COC[C | 4 | O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](CO)C1 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | CC[C |
<|startoftext|><L>O=C(c1ccc2c(c1)CCC<mask_1:5>CCOC[C@@H](CO)C1<mask_1:5> | 4 | 18 | 5 | 2)N1 | 5 | O=C(c1ccc2c(c1)CCC2)N1CCCOC[C@@H](CO)C1 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | 2)N1C |
<|startoftext|><L>O=C(c1ccc2c(c1)CCC<mask_1:2>)N1CCOC[C@@H](CO)C1<mask_1:2> | 1 | 18 | 2 | 2 | 2 | O=C(c1ccc2c(c1)CCCC2)N1CCOC[C@@H](CO)C1 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | C2 |
<|startoftext|><L><mask_1:5>C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1<mask_1:5> | 2 | 0 | 5 | O= | 5 | C#CCNC(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | C#CCN |
<|startoftext|><L>O=C<mask_1:3>c2c(c1)CCC2)N1CCOC[C@@H](CO)C1<mask_1:3> | 5 | 3 | 3 | (c1cc | 3 | O=C(c1c2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 | (c1 |
<|startoftext|><L>COc1ccccc1C(=O)Nc1cc(N<mask_1:4>C2)ncn1<mask_1:4> | 5 | 22 | 4 | 2CCCC | 4 | COc1ccccc1C(=O)Nc1cc(N2CCCC2)ncn1 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | 2CCC |
<|startoftext|><L>COc1ccccc1C(=O)Nc1cc(N2CCC<mask_1:3>C2)ncn1<mask_1:3> | 1 | 26 | 3 | C | 3 | COc1ccccc1C(=O)Nc1cc(N2CCC(C)C2)ncn1 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | (C) |
<|startoftext|><L>COc1ccccc1C(=O)Nc1cc(<mask_1:1>N2CCCCC2)ncn1<mask_1:1> | 0 | 21 | 1 | 1 | COc1ccccc1C(=O)Nc1cc(CN2CCCCC2)ncn1 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | C |
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<|startoftext|><L>COc1ccccc1C(=O)Nc1cc(N2CCCCC2)<mask_1:4>n1<mask_1:4> | 2 | 30 | 4 | nc | 4 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)[nH]n1 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | [nH] |
<|startoftext|><L>COc1ccccc1C(=O)Nc1cc<mask_1:3>N2CCCCC2)ncn1<mask_1:3> | 1 | 20 | 3 | ( | 3 | COc1ccccc1C(=O)Nc1cc(CCN2CCCCC2)ncn1 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | (CC |
<|startoftext|><L>COc1ccccc1C(=O)Nc1cc(N2C<mask_1:4>CCCC2)ncn1<mask_1:4> | 0 | 24 | 4 | 4 | COc1ccccc1C(=O)Nc1cc(N2CCCCCCCCC2)ncn1 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | CCCC |
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<|startoftext|><L>COc1ccccc1C(=O)Nc1cc(N2CCCC<mask_1:4>ncn1<mask_1:4> | 3 | 27 | 4 | C2) | 4 | COc1ccccc1C(=O)Nc1cc(N2CCCC2=O)ncn1 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | 2=O) |
<|startoftext|><L>COc1ccccc1C(=O)Nc1cc(N2<mask_1:3>CCC2)ncn1<mask_1:3> | 2 | 23 | 3 | CC | 3 | COc1ccccc1C(=O)Nc1cc(N2CCCCCC2)ncn1 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | CCC |
<|startoftext|><L>C<mask_1:2>c1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1<mask_1:2> | 1 | 1 | 2 | O | 2 | CCSc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | CS |
<|startoftext|><L>COc1ccccc1C(=O)N<mask_1:4>c(N2CCCCC2)ncn1<mask_1:4> | 3 | 16 | 4 | c1c | 4 | COc1ccccc1C(=O)NCc1cc(N2CCCCC2)ncn1 | COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 | Cc1c |
<|startoftext|><L>CCN1C(=O)[C@H]2CN(C(=O)N(C<mask_1:9>C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2<mask_1:9> | 1 | 26 | 9 | ) | 9 | CCN1C(=O)[C@H]2CN(C(=O)N(C)CC)CCN(CC)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | )CC)CCN(C |
<|startoftext|><L>CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O<mask_1:9>cc1)CC2<mask_1:9> | 6 | 51 | 9 | )c1ccc | 9 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | )c1ccc(C) |
<|startoftext|><L>CCN1C(=O)[C@H]2CN(C(=O)N<mask_1:3>@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2<mask_1:3> | 8 | 24 | 3 | (C)C)C[C | 3 | CCN1C(=O)[C@H]2CN(C(=O)N)[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | )[C |
<|startoftext|><L>CCN1C(=O)<mask_1:6>C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2<mask_1:6> | 1 | 9 | 6 | [ | 6 | CCN1C(=O)N(CC)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | N(CC)[ |
<|startoftext|><L>CCN1C(=O)[<mask_1:3>H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2<mask_1:3> | 2 | 10 | 3 | C@ | 3 | CCN1C(=O)[C@@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | C@@ |
<|startoftext|><L>CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CC<mask_1:7>=O)c1ccccc1)CC2<mask_1:7> | 8 | 41 | 7 | N(S(=O)( | 7 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(CCNC(=O)c1ccccc1)CC2 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | N(CCNC( |
<|startoftext|><L>CCN1C(=O)[C@H]2CN(C(<mask_1:3>)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2<mask_1:3> | 8 | 20 | 3 | =O)N(C)C | 3 | CCN1C(=O)[C@H]2CN(C(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | C)C |
<|startoftext|><L>CCN1C(=O)[C@H]2CN(C(=O)N(C)<mask_1:6>@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2<mask_1:6> | 5 | 27 | 6 | C)C[C | 6 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)CC[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | C)CC[C |
<|startoftext|><L>CCN1C(<mask_1:4>[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2<mask_1:4> | 3 | 6 | 4 | =O) | 4 | CCN1C(=O)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | =O)C |
<|startoftext|><L>CCN1C(=O<mask_1:6>@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2<mask_1:6> | 3 | 8 | 6 | )[C | 6 | CCN1C(=O)CO[C@@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 | )CO[C@ |
<|startoftext|><L>CC(C)c1cc(C(=O)N[C@@H](<mask_1:3>)C(C)C)n[nH]1<mask_1:3> | 6 | 23 | 3 | C(N)=O | 3 | CC(C)c1cc(C(=O)N[C@@H](C#N)C(C)C)n[nH]1 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | C#N |
<|startoftext|><L>CC(C)c1cc<mask_1:6>(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1<mask_1:6> | 2 | 9 | 6 | (C | 6 | CC(C)c1cc(S(=O)(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | (S(=O) |
<|startoftext|><L>CC(C)c1cc(<mask_1:1>C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1<mask_1:1> | 0 | 10 | 1 | 1 | CC(C)c1cc(NC(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | N |
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<|startoftext|><L>CC(C)c1cc(C(=O)N[C@@H](C(N)=O)<mask_1:5>C)C)n[nH]1<mask_1:5> | 2 | 30 | 5 | C( | 5 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)n[nH]1 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | C(C)( |
<|startoftext|><L>C<mask_1:5>(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1<mask_1:5> | 1 | 1 | 5 | C | 5 | CCC(C)(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | CC(C) |
<|startoftext|><L>CC(C<mask_1:3>)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1<mask_1:3> | 0 | 4 | 3 | 3 | CC(C)(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | )(C |
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<|startoftext|><L>CC(C)c1cc(C(=O)N[C@@H](C(N)<mask_1:6>=O)C(C)C)n[nH]1<mask_1:6> | 0 | 27 | 6 | 6 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)CC(=O)C(C)C)n[nH]1 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | =O)CC( |
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<|startoftext|><L>CC(<mask_1:3>C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1<mask_1:3> | 0 | 3 | 3 | 3 | CC(C)(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | C)( |
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<|startoftext|><L>CC(C)c1cc(C(=O)N[C<mask_1:5>@H](C(N)=O)C(C)C)n[nH]1<mask_1:5> | 1 | 18 | 5 | @ | 5 | CC(C)c1cc(C(=O)N[C@H][C@H](C(N)=O)C(C)C)n[nH]1 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | @H][C |
<|startoftext|><L><mask_1:2>C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1<mask_1:2> | 3 | 0 | 2 | CC( | 2 | C(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1 | C( |
<|startoftext|><L>O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2<mask_1:8>1ccccc1C2<mask_1:8> | 7 | 46 | 8 | c(c1)-c | 8 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)OCc1ccccc1C2 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | c(c1)OCc |
<|startoftext|><L>O=C(CN1C<mask_1:4>=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2<mask_1:4> | 1 | 8 | 4 | ( | 4 | O=C(CN1CCNC(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | CNC( |
<|startoftext|><L>O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1c<mask_1:9>cc1C2<mask_1:9> | 2 | 55 | 9 | cc | 9 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccc(C(=O))cc1C2 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | cc(C(=O)) |
<|startoftext|><L>O=C(C<mask_1:6>(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2<mask_1:6> | 3 | 5 | 6 | N1C | 6 | O=C(CCCCN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | CCCN1C |
<|startoftext|><L>O=C(CN1C(=O)[C<mask_1:8>CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2<mask_1:8> | 4 | 14 | 8 | @H]2 | 8 | O=C(CN1C(=O)[C@@H]2CC=CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | @@H]2CC= |
<|startoftext|><L>O=C(CN1C(<mask_1:6>CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2<mask_1:6> | 9 | 9 | 6 | =O)[C@H]2 | 6 | O=C(CN1C(=O)N2CCCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | =O)N2C |
<|startoftext|><L>O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)<mask_1:8>(c1)-c1ccccc1C2<mask_1:8> | 7 | 40 | 8 | c1ccc2c | 7 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | c1ccc2c |
<|startoftext|><L>O=C(CN1C(=O)[C<mask_1:4>2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2<mask_1:4> | 3 | 14 | 4 | @H] | 4 | O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | @@H] |
<|startoftext|><L>O=C(CN1<mask_1:6>]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2<mask_1:6> | 9 | 7 | 6 | C(=O)[C@H | 6 | O=C(CN1C[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | C[C@@H |
<|startoftext|><L>O=C(CN1C(=<mask_1:6>O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2<mask_1:6> | 0 | 10 | 6 | 6 | O=C(CN1C(=O)NC(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 | O)NC(= |
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<|startoftext|><L>COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3n<mask_1:6>3)CC2)cc1<mask_1:6> | 4 | 35 | 6 | cccn | 6 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3nc(C)cs3)CC2)cc1 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | c(C)cs |
<|startoftext|><L>COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3<mask_1:5>)cc1<mask_1:5> | 4 | 40 | 5 | )CC2 | 5 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2C)cc1 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | )CC2C |
<|startoftext|><L>COc1ccc(CC(=O)NCCS(=O)(=O)<mask_1:2>(c3ncccn3)CC2)cc1<mask_1:2> | 5 | 26 | 2 | N2CCN | 2 | COc1ccc(CC(=O)NCCS(=O)(=O)C2(c3ncccn3)CC2)cc1 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | C2 |
<|startoftext|><L>COc1ccc(CC(=O)NCCS(=O)(=O)N2C<mask_1:7>ncccn3)CC2)cc1<mask_1:7> | 5 | 29 | 7 | CN(c3 | 7 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCCN(Cc3ncccn3)CC2)cc1 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | CCN(Cc3 |
<|startoftext|><L>COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncc<mask_1:7>3)CC2)cc1<mask_1:7> | 2 | 37 | 7 | cn | 7 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3nccc(C#N)c3)CC2)cc1 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | c(C#N)c |
<|startoftext|><L>COc1ccc(CC(=O)NCCS(=O)(=<mask_1:3>N2CCN(c3ncccn3)CC2)cc1<mask_1:3> | 2 | 24 | 3 | O) | 3 | COc1ccc(CC(=O)NCCS(=O)(=O)CN2CCN(c3ncccn3)CC2)cc1 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | O)C |
<|startoftext|><L>CO<mask_1:4>C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1<mask_1:4> | 7 | 2 | 4 | c1ccc(C | 4 | COc1c(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | c1c( |
<|startoftext|><L>CO<mask_1:6>cc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1<mask_1:6> | 3 | 2 | 6 | c1c | 6 | COCCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | CCOc1c |
<|startoftext|><L>COc1ccc(CC(=O)NCCS<mask_1:2>)N2CCN(c3ncccn3)CC2)cc1<mask_1:2> | 7 | 18 | 2 | (=O)(=O | 2 | COc1ccc(CC(=O)NCCS(C)N2CCN(c3ncccn3)CC2)cc1 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | (C |
<|startoftext|><L>COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncc<mask_1:5>2)cc1<mask_1:5> | 6 | 37 | 5 | cn3)CC | 5 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3nccs3)CC2)cc1 | COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | s3)CC |
<|startoftext|><L>C<mask_1:3>c1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1<mask_1:3> | 1 | 1 | 3 | C | 3 | CCCOc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | CCO |
<|startoftext|><L>CCc1ccc(C(=O)CO<mask_1:6>C(=O)CCCc2c[nH]c3ccccc23)cc1<mask_1:6> | 0 | 15 | 6 | 6 | CCc1ccc(C(=O)COC(=S)NC(=O)CCCc2c[nH]c3ccccc23)cc1 | CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | C(=S)N |
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<|startoftext|><L>CCc1<mask_1:3>cc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1<mask_1:3> | 1 | 4 | 3 | c | 3 | CCc1ccccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | ccc |
<|startoftext|><L>CCc1ccc(C(=<mask_1:5>OC(=O)CCCc2c[nH]c3ccccc23)cc1<mask_1:5> | 3 | 11 | 5 | O)C | 5 | CCc1ccc(C(=O)OCCOC(=O)CCCc2c[nH]c3ccccc23)cc1 | CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | O)OCC |
<|startoftext|><L>CCc1ccc(C(=O)C<mask_1:1>O)CCCc2c[nH]c3ccccc23)cc1<mask_1:1> | 4 | 14 | 1 | OC(= | 1 | CCc1ccc(C(=O)C(O)CCCc2c[nH]c3ccccc23)cc1 | CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | ( |
<|startoftext|><L>CCc1ccc(C(=O)COC(=O)CC<mask_1:5>H]c3ccccc23)cc1<mask_1:5> | 6 | 22 | 5 | Cc2c[n | 5 | CCc1ccc(C(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1 | CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | c2c[n |
<|startoftext|><L>CCc1ccc(C(=O)C<mask_1:6>)CCCc2c[nH]c3ccccc23)cc1<mask_1:6> | 5 | 14 | 6 | OC(=O | 6 | CCc1ccc(C(=O)CCNC(=O)CCCc2c[nH]c3ccccc23)cc1 | CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | CNC(=O |
<|startoftext|><L>CCc1ccc(C(=O)COC(<mask_1:6>CCCc2c[nH]c3ccccc23)cc1<mask_1:6> | 3 | 17 | 6 | =O) | 6 | CCc1ccc(C(=O)COC(=O)CCCCCCc2c[nH]c3ccccc23)cc1 | CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | =O)CCC |
<|startoftext|><L>CCc1ccc(C(=O<mask_1:5>O)CCCc2c[nH]c3ccccc23)cc1<mask_1:5> | 6 | 12 | 5 | )COC(= | 5 | CCc1ccc(C(=O)NC(=O)CCCc2c[nH]c3ccccc23)cc1 | CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | )NC(= |
<|startoftext|><L>CCc1ccc(C(<mask_1:4>(=O)CCCc2c[nH]c3ccccc23)cc1<mask_1:4> | 6 | 10 | 4 | =O)COC | 4 | CCc1ccc(C(=O)C(=O)CCCc2c[nH]c3ccccc23)cc1 | CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 | =O)C |
<|startoftext|><L>Cn1cc([C@@H]2CCN(Cc3ccccc3OC<mask_1:3>)F)C2)cn1<mask_1:3> | 6 | 28 | 3 | C(F)(F | 3 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)F)C2)cn1 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | C(F |
<|startoftext|><L>Cn1cc([C@@H]2CCN(C<mask_1:1>c3ccccc3OCC(F)(F)F)C2)cn1<mask_1:1> | 0 | 18 | 1 | 1 | Cn1cc([C@@H]2CCN(CCc3ccccc3OCC(F)(F)F)C2)cn1 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | C |
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<|startoftext|><L>Cn1cc([C@@H]2CCN(Cc3ccccc3<mask_1:4>C(F)(F)F)C2)cn1<mask_1:4> | 2 | 26 | 4 | OC | 4 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCCCC(F)(F)F)C2)cn1 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | OCCC |
<|startoftext|><L>Cn1cc([C@@H]2CCN(Cc3ccccc3O<mask_1:4>(F)F)C2)cn1<mask_1:4> | 5 | 27 | 4 | CC(F) | 4 | Cn1cc([C@@H]2CCN(Cc3ccccc3OC(F)(F)F)C2)cn1 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | C(F) |
<|startoftext|><L>Cn1cc([C@@H]2CCN(Cc3cccc<mask_1:6>C(F)(F)F)C2)cn1<mask_1:6> | 4 | 24 | 6 | c3OC | 6 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCCCC(F)(F)F)C2)cn1 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | c3OCCC |
<|startoftext|><L>Cn1cc([C@<mask_1:3>CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1<mask_1:3> | 4 | 9 | 3 | @H]2 | 3 | Cn1cc([C@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | H]2 |
<|startoftext|><L>Cn1cc(<mask_1:3>C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1<mask_1:3> | 1 | 6 | 3 | [ | 3 | Cn1cc(CO[C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | CO[ |
<|startoftext|><L>Cn1cc(<mask_1:4>@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1<mask_1:4> | 2 | 6 | 4 | [C | 4 | Cn1cc(CN[C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | CN[C |
<|startoftext|><L>Cn1cc([<mask_1:3>2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1<mask_1:3> | 5 | 7 | 3 | C@@H] | 3 | Cn1cc([C@]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | C@] |
<|startoftext|><L>Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(<mask_1:4>F)C2)cn1<mask_1:4> | 5 | 30 | 4 | F)(F) | 4 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(=O)NF)C2)cn1 | Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)cn1 | =O)N |