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| first_mask_count
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<|startoftext|><L>CCNC(=O)c1cccc<mask_1:3>=O)c2ccoc2)c1<mask_1:3> | 4 | 14 | 3 | (NC( | 3 | CCNC(=O)c1cccc(C(=O)c2ccoc2)c1 | CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | (C( |
<|startoftext|><L>C<mask_1:2>(=O)c1cccc(NC(=O)c2ccoc2)c1<mask_1:2> | 3 | 1 | 2 | CNC | 2 | COC(=O)c1cccc(NC(=O)c2ccoc2)c1 | CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | OC |
<|startoftext|><L>CC<mask_1:4>(=O)c1cccc(NC(=O)c2ccoc2)c1<mask_1:4> | 2 | 2 | 4 | NC | 4 | CCCCOC(=O)c1cccc(NC(=O)c2ccoc2)c1 | CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | CCOC |
<|startoftext|><L>CCNC<mask_1:2>c1cccc(NC(=O)c2ccoc2)c1<mask_1:2> | 4 | 4 | 2 | (=O) | 2 | CCNCCOc1cccc(NC(=O)c2ccoc2)c1 | CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | CO |
<|startoftext|><L><mask_1:4>NC(=O)c1cccc(NC(=O)c2ccoc2)c1<mask_1:4> | 2 | 0 | 4 | CC | 4 | C=CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | C=CC |
<|startoftext|><L>C<mask_1:4>C(=O)c1cccc(NC(=O)c2ccoc2)c1<mask_1:4> | 2 | 1 | 4 | CN | 4 | C#CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | #CCN |
<|startoftext|><L>CCNC(=O)c1cccc(NC(=O)c2cc<mask_1:4>)c1<mask_1:4> | 3 | 25 | 4 | oc2 | 4 | CCNC(=O)c1cccc(NC(=O)c2cccnc2)c1 | CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | cnc2 |
<|startoftext|><L>CCNC(=O)c1cccc(<mask_1:1>(=O)c2ccoc2)c1<mask_1:1> | 2 | 15 | 1 | NC | 1 | CCNC(=O)c1cccc(C(=O)c2ccoc2)c1 | CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | C |
<|startoftext|><L>CCNC<mask_1:4>)c1cccc(NC(=O)c2ccoc2)c1<mask_1:4> | 3 | 4 | 4 | (=O | 4 | CCNCC(=O)c1cccc(NC(=O)c2ccoc2)c1 | CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | C(=O |
<|startoftext|><L>CCNC(=O)c1ccc<mask_1:3>(NC(=O)c2ccoc2)c1<mask_1:3> | 1 | 13 | 3 | c | 3 | CCNC(=O)c1ccc(C)(NC(=O)c2ccoc2)c1 | CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1 | (C) |
<|startoftext|><L>CC[C@@H]1CN<mask_1:5>=O)NCCCCn2ccccc2=O)CCS1<mask_1:5> | 3 | 11 | 5 | (C( | 5 | CC[C@@H]1CN(CCC(=O)NCCCCn2ccccc2=O)CCS1 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | (CCC( |
<|startoftext|><L>C<mask_1:2>H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1<mask_1:2> | 5 | 1 | 2 | C[C@@ | 2 | C[CH]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | [C |
<|startoftext|><L>CC[C@@H]1CN(C(<mask_1:4>O)NCCCCn2ccccc2=O)CCS1<mask_1:4> | 1 | 14 | 4 | = | 4 | CC[C@@H]1CN(C(C)C(O)NCCCCn2ccccc2=O)CCS1 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | C)C( |
<|startoftext|><L>CC[C@@H]1CN(C(=O)N<mask_1:2>n2ccccc2=O)CCS1<mask_1:2> | 4 | 18 | 2 | CCCC | 2 | CC[C@@H]1CN(C(=O)NCCn2ccccc2=O)CCS1 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | CC |
<|startoftext|><L>CC<mask_1:4>]1CN(C(=O)NCCCCn2ccccc2=O)CCS1<mask_1:4> | 5 | 2 | 4 | [C@@H | 4 | CC[C@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | [C@H |
<|startoftext|><L>CC<mask_1:5>H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1<mask_1:5> | 4 | 2 | 5 | [C@@ | 5 | CCCC[C@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | CC[C@ |
<|startoftext|><L>CC[C@@H]1CN(C(=O)N<mask_1:5>CCCCn2ccccc2=O)CCS1<mask_1:5> | 0 | 18 | 5 | 5 | CC[C@@H]1CN(C(=O)NC(=O)CCCCn2ccccc2=O)CCS1 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | C(=O) |
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<|startoftext|><L>CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)C<mask_1:2>S1<mask_1:2> | 1 | 34 | 2 | C | 2 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCCS1 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | CC |
<|startoftext|><L>CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)C<mask_1:4>S1<mask_1:4> | 1 | 34 | 4 | C | 4 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CC=CCS1 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | C=CC |
<|startoftext|><L>CC[C@@H]1CN(C<mask_1:4>=O)NCCCCn2ccccc2=O)CCS1<mask_1:4> | 1 | 13 | 4 | ( | 4 | CC[C@@H]1CN(CCNC(=O)NCCCCn2ccccc2=O)CCS1 | CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 | CNC( |
<|startoftext|><L>CCCN<mask_1:2>c1ccc(O[C@H](C)CC)cc1<mask_1:2> | 1 | 4 | 2 | C | 2 | CCCNCCc1ccc(O[C@H](C)CC)cc1 | CCCNCc1ccc(O[C@H](C)CC)cc1 | CC |
<|startoftext|><L>CCCN<mask_1:3>c1ccc(O[C@H](C)CC)cc1<mask_1:3> | 1 | 4 | 3 | C | 3 | CCCN(C)c1ccc(O[C@H](C)CC)cc1 | CCCNCc1ccc(O[C@H](C)CC)cc1 | (C) |
<|startoftext|><L>CCCN<mask_1:2>c1ccc(O[C@H](C)CC)cc1<mask_1:2> | 1 | 4 | 2 | C | 2 | CCCNCCc1ccc(O[C@H](C)CC)cc1 | CCCNCc1ccc(O[C@H](C)CC)cc1 | CC |
<|startoftext|><L>CCCNCc1ccc(O<mask_1:3>[C@H](C)CC)cc1<mask_1:3> | 0 | 12 | 3 | 3 | CCCNCc1ccc(OCCC[C@H](C)CC)cc1 | CCCNCc1ccc(O[C@H](C)CC)cc1 | CCC |
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<|startoftext|><L>CCCNCc1ccc(O[C@H](C)C<mask_1:3>C)cc1<mask_1:3> | 0 | 21 | 3 | 3 | CCCNCc1ccc(O[C@H](C)C(C)C)cc1 | CCCNCc1ccc(O[C@H](C)CC)cc1 | (C) |
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<|startoftext|><L>CC<mask_1:2>CNCc1ccc(O[C@H](C)CC)cc1<mask_1:2> | 0 | 2 | 2 | 2 | CCOCCNCc1ccc(O[C@H](C)CC)cc1 | CCCNCc1ccc(O[C@H](C)CC)cc1 | OC |
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<|startoftext|><L>CCCNC<mask_1:2>c1ccc(O[C@H](C)CC)cc1<mask_1:2> | 0 | 5 | 2 | 2 | CCCNCCNc1ccc(O[C@H](C)CC)cc1 | CCCNCc1ccc(O[C@H](C)CC)cc1 | CN |
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<|startoftext|><L>CCCN<mask_1:2>Cc1ccc(O[C@H](C)CC)cc1<mask_1:2> | 0 | 4 | 2 | 2 | CCCNCCCc1ccc(O[C@H](C)CC)cc1 | CCCNCc1ccc(O[C@H](C)CC)cc1 | CC |
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<|startoftext|><L>CCCNCc1ccc(O[C@H](C)C<mask_1:3>C)cc1<mask_1:3> | 0 | 21 | 3 | 3 | CCCNCc1ccc(O[C@H](C)CCCCC)cc1 | CCCNCc1ccc(O[C@H](C)CC)cc1 | CCC |
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<|startoftext|><L>CCCNCc1ccc(O<mask_1:1>[C@H](C)CC)cc1<mask_1:1> | 0 | 12 | 1 | 1 | CCCNCc1ccc(OC[C@H](C)CC)cc1 | CCCNCc1ccc(O[C@H](C)CC)cc1 | C |
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<|startoftext|><L>COc1ccc2c(CN3CC[C@@H](c4ccccc<mask_1:5>C3)cc(=O)oc2c1<mask_1:5> | 2 | 29 | 5 | 4) | 5 | COc1ccc2c(CN3CC[C@@H](c4ccccc4OC)CC3)cc(=O)oc2c1 | COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | 4OC)C |
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H](c4cccc<mask_1:5>4)C3)cc(=O)oc2c1<mask_1:5> | 1 | 28 | 5 | c | 5 | COc1ccc2c(CN3CC[C@@H](c4cccc(OC)c4)C3)cc(=O)oc2c1 | COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | (OC)c |
<|startoftext|><L>COc1ccc2c<mask_1:4>[C@@H](c4ccccc4)C3)cc(=O)oc2c1<mask_1:4> | 6 | 9 | 4 | (CN3CC | 4 | COc1ccc2c(N3C[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | (N3C |
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H<mask_1:5>ccccc4)C3)cc(=O)oc2c1<mask_1:5> | 4 | 20 | 5 | ](c4 | 5 | COc1ccc2c(CN3CC[C@@H](Oc4ccccc4)C3)cc(=O)oc2c1 | COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | ](Oc4 |
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H]<mask_1:6>c4ccccc4)C3)cc(=O)oc2c1<mask_1:6> | 1 | 21 | 6 | ( | 6 | COc1ccc2c(CN3CC[C@@H](N(C)Cc4ccccc4)C3)cc(=O)oc2c1 | COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | (N(C)C |
<|startoftext|><L>C<mask_1:5>1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1<mask_1:5> | 2 | 1 | 5 | Oc | 5 | C=CCOc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | =CCOc |
<|startoftext|><L>C<mask_1:6>1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1<mask_1:6> | 2 | 1 | 6 | Oc | 6 | CC(=O)c1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | C(=O)c |
<|startoftext|><L>COc1ccc2c(CN<mask_1:3>C[C@@H](c4ccccc4)C3)cc(=O)oc2c1<mask_1:3> | 2 | 12 | 3 | 3C | 3 | COc1ccc2c(CN3CCC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | 3CC |
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H](c4ccc<mask_1:4>)C3)cc(=O)oc2c1<mask_1:4> | 3 | 27 | 4 | cc4 | 4 | COc1ccc2c(CN3CC[C@@H](c4ccccc4F)C3)cc(=O)oc2c1 | COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | cc4F |
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H](c<mask_1:1>ccc4)C3)cc(=O)oc2c1<mask_1:1> | 3 | 23 | 1 | 4cc | 1 | COc1ccc2c(CN3CC[C@@H](c4ccc4)C3)cc(=O)oc2c1 | COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 | 4 |
<|startoftext|><L>O=Cc1cccc(S(=O)(=O)<mask_1:4>(F)(F)F)c1<mask_1:4> | 1 | 19 | 4 | C | 4 | O=Cc1cccc(S(=O)(=O)CCCC(F)(F)F)c1 | O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1 | CCCC |
<|startoftext|><L>O=Cc1cccc(S(=O)(=O<mask_1:3>(F)(F)F)c1<mask_1:3> | 2 | 18 | 3 | )C | 3 | O=Cc1cccc(S(=O)(=O)CC(F)(F)F)c1 | O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1 | )CC |
<|startoftext|><L>O=Cc1cccc<mask_1:3>O)(=O)C(F)(F)F)c1<mask_1:3> | 4 | 9 | 3 | (S(= | 3 | O=Cc1cccc(S(O)(=O)C(F)(F)F)c1 | O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1 | (S( |
<|startoftext|><L>O=Cc1cccc(S(=O)(=O)C(F)<mask_1:1>(F)F)c1<mask_1:1> | 0 | 23 | 1 | 1 | O=Cc1cccc(S(=O)(=O)C(F)C(F)F)c1 | O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1 | C |
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<|startoftext|><L>O=Cc1cccc(S(=O)(<mask_1:1>)C(F)(F)F)c1<mask_1:1> | 2 | 16 | 1 | =O | 1 | O=Cc1cccc(S(=O)(F)C(F)(F)F)c1 | O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1 | F |
<|startoftext|><L>O=Cc1c<mask_1:3>ccc(S(=O)(=O)C(F)(F)F)c1<mask_1:3> | 0 | 6 | 3 | 3 | O=Cc1c(F)ccc(S(=O)(=O)C(F)(F)F)c1 | O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1 | (F) |
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<|startoftext|><L>O=Cc1cccc(S(=O)(=O)C<mask_1:4>F)(F)F)c1<mask_1:4> | 1 | 20 | 4 | ( | 4 | O=Cc1cccc(S(=O)(=O)COCC(F)(F)F)c1 | O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1 | OCC( |
<|startoftext|><L>O=Cc1cccc(S(=O)(=O)C(F)(F)<mask_1:3>c1<mask_1:3> | 2 | 26 | 3 | F) | 3 | O=Cc1cccc(S(=O)(=O)C(F)(F)Cl)c1 | O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1 | Cl) |
<|startoftext|><L>O=Cc1cc<mask_1:3>(=O)(=O)C(F)(F)F)c1<mask_1:3> | 4 | 7 | 3 | cc(S | 3 | O=Cc1ccn(S(=O)(=O)C(F)(F)F)c1 | O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1 | n(S |
<|startoftext|><L>O=Cc1c<mask_1:1>c(S(=O)(=O)C(F)(F)F)c1<mask_1:1> | 2 | 6 | 1 | cc | 1 | O=Cc1csc(S(=O)(=O)C(F)(F)F)c1 | O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1 | s |
<|startoftext|><L>C[C<mask_1:3>CNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:3> | 5 | 3 | 3 | @H]1C | 3 | C[CH]1CNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | H]1 |
<|startoftext|><L>C[C<mask_1:4>1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:4> | 3 | 3 | 4 | @H] | 4 | C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | @@H] |
<|startoftext|><L>C[C@H]1CCNC<mask_1:6>C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:6> | 5 | 11 | 6 | (=O)[ | 6 | C[C@H]1CCNC(=O)C[C@@H]1NC(=O)CCc1cccc2ccccc12 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | (=O)C[ |
<|startoftext|><L>C[C<mask_1:3>NC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:3> | 6 | 3 | 3 | @H]1CC | 3 | C[CH]1NC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | H]1 |
<|startoftext|><L>C[<mask_1:5>C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:5> | 0 | 2 | 5 | 5 | C[C@H][C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | C@H][ |
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<|startoftext|><L>C[C@<mask_1:1>1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:1> | 2 | 4 | 1 | H] | 1 | C[C@]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | ] |
<|startoftext|><L>C[<mask_1:4>]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:4> | 3 | 2 | 4 | C@H | 4 | C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | C@@H |
<|startoftext|><L>C[C<mask_1:4>NC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:4> | 6 | 3 | 4 | @H]1CC | 4 | C[C@H]1NC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | @H]1 |
<|startoftext|><L>C[C@H]1CCNC(=O)[C@@H]1NC(=O)<mask_1:6>c1cccc2ccccc12<mask_1:6> | 2 | 28 | 6 | CC | 6 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)/C=C/Cc1cccc2ccccc12 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | /C=C/C |
<|startoftext|><L>C[C@H]1C<mask_1:2>O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:2> | 5 | 8 | 2 | CNC(= | 2 | C[C@H]1C(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12 | (= |
<|startoftext|><L><mask_1:1>1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1<mask_1:1> | 3 | 0 | 1 | COc | 1 | c1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | c |
<|startoftext|><L>COc1ccc2c<mask_1:6>C@H]3CN(c4ccncc4F)CCO3)ccc2c1<mask_1:6> | 3 | 9 | 6 | c([ | 6 | COc1ccc2cc(CNC[C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | c(CNC[ |
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3<mask_1:3>2c1<mask_1:3> | 4 | 34 | 3 | )ccc | 3 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)nn2c1 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | )nn |
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4ccncc4F)<mask_1:4>O3)ccc2c1<mask_1:4> | 2 | 30 | 4 | CC | 4 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCCCO3)ccc2c1 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | CCCC |
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4ccnc<mask_1:4>O3)ccc2c1<mask_1:4> | 6 | 26 | 4 | c4F)CC | 4 | COc1ccc2cc([C@H]3CN(c4ccncn4)CO3)ccc2c1 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | n4)C |
<|startoftext|><L>COc1ccc2cc([C<mask_1:3>]3CN(c4ccncc4F)CCO3)ccc2c1<mask_1:3> | 2 | 13 | 3 | @H | 3 | COc1ccc2cc([C@@H]3CN(c4ccncc4F)CCO3)ccc2c1 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | @@H |
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4ccnc<mask_1:6>)CCO3)ccc2c1<mask_1:6> | 3 | 26 | 6 | c4F | 6 | COc1ccc2cc([C@H]3CN(c4ccnc(Cl)n4)CCO3)ccc2c1 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | (Cl)n4 |
<|startoftext|><L>COc1ccc2cc([C@H]3C<mask_1:3>cncc4F)CCO3)ccc2c1<mask_1:3> | 5 | 18 | 3 | N(c4c | 3 | COc1ccc2cc([C@H]3C(n4cncc4F)CCO3)ccc2c1 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | (n4 |
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4cc<mask_1:6>c4F)CCO3)ccc2c1<mask_1:6> | 2 | 24 | 6 | nc | 6 | COc1ccc2cc([C@H]3CN(c4ccc(OC)cc4F)CCO3)ccc2c1 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | c(OC)c |
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4ccncc4F)C<mask_1:5>c2c1<mask_1:5> | 6 | 31 | 5 | CO3)cc | 5 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)sc2c1 | COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 | CO3)s |
<|startoftext|><L>CC(=O)<mask_1:6>1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:6> | 2 | 6 | 6 | Nc | 6 | CC(=O)N(C)Cc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | N(C)Cc |
<|startoftext|><L>CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC<mask_1:1>2)[nH]c2ccccc12<mask_1:1> | 0 | 38 | 1 | 1 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CCC2)[nH]c2ccccc12 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | C |
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<|startoftext|><L>CC(<mask_1:6>)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:6> | 2 | 3 | 6 | =O | 6 | CC(C)C(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | C)C(=O |
<|startoftext|><L>CC(=O)Nc1c(C(=O)N2CCN(<mask_1:7>nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:7> | 2 | 22 | 7 | c3 | 7 | CC(=O)Nc1c(C(=O)N2CCN(C(=O)c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | C(=O)c3 |
<|startoftext|><L>C<mask_1:7>Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:7> | 5 | 1 | 7 | C(=O) | 7 | CCCC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | CCC(=O) |
<|startoftext|><L>CC(=O)Nc1c(C(<mask_1:3>)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:3> | 2 | 13 | 3 | =O | 3 | CC(=O)Nc1c(C(C#N)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | C#N |
<|startoftext|><L>CC(=O)Nc1c(C(=O)N2CCN(c3nc4cccc<mask_1:4>c4s3)CC2)[nH]c2ccccc12<mask_1:4> | 0 | 31 | 4 | 4 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4cccc(Cl)c4s3)CC2)[nH]c2ccccc12 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | (Cl) |
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<|startoftext|><L>CC(=O)Nc1c(C(=O<mask_1:6>N(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:6> | 5 | 15 | 6 | )N2CC | 6 | CC(=O)Nc1c(C(=O)CN2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | )CN2CC |
<|startoftext|><L>CC(<mask_1:3>O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:3> | 1 | 3 | 3 | = | 3 | CC(C)(O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | C)( |
<|startoftext|><L>CC(=O<mask_1:4>1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:4> | 3 | 5 | 4 | )Nc | 4 | CC(=O)NCc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12 | )NCc |
<|startoftext|><L>COc1cc(C)c<mask_1:7>(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C<mask_1:7> | 6 | 10 | 7 | (S(=O) | 7 | COc1cc(C)c(S(=O)C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | (S(=O)C |
<|startoftext|><L><mask_1:3>cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C<mask_1:3> | 4 | 0 | 3 | COc1 | 3 | Cc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | Cc1 |
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@<mask_1:6>N3C(=O)C[C@@H]24)c(C)c1C<mask_1:6> | 8 | 27 | 6 | @]34OCCC | 6 | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34CCN3C(=O)C[C@@H]24)c(C)c1C | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | @]34CC |
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)<mask_1:8>@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C<mask_1:8> | 6 | 20 | 8 | N2CC[C | 8 | COc1cc(C)c(S(=O)(=O)N2CCCC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | N2CCCC[C |
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@<mask_1:4>(C)c1C<mask_1:4> | 7 | 46 | 4 | @H]24)c | 5 | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@H]24)(C)c1C | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | H]24) |
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c<mask_1:4>C<mask_1:4> | 5 | 53 | 4 | (C)c1 | 4 | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc1OCC | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | c1OC |
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=<mask_1:4>@@H]24)c(C)c1C<mask_1:4> | 5 | 40 | 4 | O)C[C | 4 | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)[C@@H]24)c(C)c1C | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | O)[C |
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCC<mask_1:4>C[C@@H]24)c(C)c1C<mask_1:4> | 8 | 34 | 4 | CN3C(=O) | 4 | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCN3CCC[C@@H]24)c(C)c1C | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | N3CC |
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@@]34<mask_1:7>=O)C[C@@H]24)c(C)c1C<mask_1:7> | 8 | 31 | 7 | OCCCN3C( | 7 | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c(C)c1C | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | OCCN3C( |
<|startoftext|><L>COc1cc(C)c(S(=O)(=<mask_1:4>[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C<mask_1:4> | 6 | 18 | 4 | O)N2CC | 4 | COc1cc(C)c(S(=O)(=O)N2[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C | O)N2 |
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2n<mask_1:4>2)CC1<mask_1:4> | 3 | 37 | 4 | ccs | 4 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ncccn2)CC1 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | cccn |
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CC<mask_1:2>ccs2)CC1<mask_1:2> | 5 | 32 | 2 | N(c2n | 2 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CC2(ccs2)CC1 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | 2( |
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2<mask_1:4>ccs2)CC1<mask_1:4> | 1 | 36 | 4 | n | 4 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2c(N)ccs2)CC1 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | c(N) |
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c<mask_1:6>cs2)CC1<mask_1:6> | 3 | 35 | 6 | 2nc | 6 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nc(N)cs2)CC1 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | 2nc(N) |
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)c<mask_1:6>1CCN(c2nccs2)CC1<mask_1:6> | 4 | 25 | 6 | c1)N | 6 | C[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)N1CCN(c2nccs2)CC1 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | c1Cl)N |
<|startoftext|><L>C<mask_1:2>(C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1<mask_1:2> | 6 | 1 | 2 | [C@@H] | 2 | CCN(C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | CN |
<|startoftext|><L>C[C@@H](C(=O<mask_1:3>ccc(C#N)cc1)N1CCN(c2nccs2)CC1<mask_1:3> | 4 | 12 | 3 | )Nc1 | 3 | C[C@@H](C(=O)c1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | )c1 |
<|startoftext|><L>C[C@@H](C(=O<mask_1:5>c(C#N)cc1)N1CCN(c2nccs2)CC1<mask_1:5> | 6 | 12 | 5 | )Nc1cc | 5 | C[C@@H](C(=O)c1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | )c1cc |
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc<mask_1:5>C#N)cc1)N1CCN(c2nccs2)CC1<mask_1:5> | 1 | 19 | 5 | ( | 5 | C[C@@H](C(=O)Nc1ccc(C(N)C#N)cc1)N1CCN(c2nccs2)CC1 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | (C(N) |
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1C<mask_1:5>2nccs2)CC1<mask_1:5> | 4 | 31 | 5 | CN(c | 5 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(Oc2nccs2)CC1 | C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 | CC(Oc |