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stringlengths 47
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| first_mask_count
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| first_mask_gen_count
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<|startoftext|><L>CCCC<mask_1:5>CCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl<mask_1:5> | 1 | 4 | 5 | C | 5 | CCCCCCCCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl | CCCCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl | CCCCC |
<|startoftext|><L>O=C1<mask_1:4>NC2=C(C(=O)N(Cc3ccccc3)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1<mask_1:4> | 0 | 4 | 4 | 4 | O=C1NCCCNC2=C(C(=O)N(Cc3ccccc3)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1 | O=C1NC2=C(C(=O)N(Cc3ccccc3)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1 | NCCC |
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<|startoftext|><L>CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc<mask_1:7>3Cl)cc2)CC1<mask_1:7> | 6 | 43 | 7 | (Cl)cc | 6 | CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)CC1 | CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)CC1 | (Cl)cc |
<|startoftext|><L>O=C(c1c[nH]c(=O)cn1)N(Cc1nccs1)C1C<mask_1:4>C1<mask_1:4> | 0 | 34 | 4 | 4 | O=C(c1c[nH]c(=O)cn1)N(Cc1nccs1)C1CC(O)C1 | O=C(c1c[nH]c(=O)cn1)N(Cc1nccs1)C1CC1 | C(O) |
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<|startoftext|><L>O=C(NC[C@H](c1cccs1)N1CCCC1<mask_1:2>C1c2ccccc2Oc2ccccc21<mask_1:2> | 1 | 27 | 2 | ) | 2 | O=C(NC[C@H](c1cccs1)N1CCCC1)OC1c2ccccc2Oc2ccccc21 | O=C(NC[C@H](c1cccs1)N1CCCC1)C1c2ccccc2Oc2ccccc21 | )O |
<|startoftext|><L>Cc1cccc(-c2nccn2[C<mask_1:1>]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)n1<mask_1:1> | 2 | 18 | 1 | @H | 1 | Cc1cccc(-c2nccn2[CH]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)n1 | Cc1cccc(-c2nccn2[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)n1 | H |
<|startoftext|><L>C<mask_1:2>S(=O)(=O)c1ncnc2[nH]cnc12<mask_1:2> | 1 | 1 | 2 | C | 2 | CCNS(=O)(=O)c1ncnc2[nH]cnc12 | CCS(=O)(=O)c1ncnc2[nH]cnc12 | CN |
<|startoftext|><L>CCCOCc1cc(<mask_1:2>(=O)Nc2cccc(C)c2)ccc1OCC<mask_1:2> | 1 | 10 | 2 | C | 2 | CCCOCc1cc(CC(=O)Nc2cccc(C)c2)ccc1OCC | CCCOCc1cc(C(=O)Nc2cccc(C)c2)ccc1OCC | CC |
<|startoftext|><L>Cc1ccc(NC(=<mask_1:1>S)N2CCN(Cc3cccc(O)c3)CC2)c(Cl)c1<mask_1:1> | 0 | 11 | 1 | 1 | Cc1ccc(NC(=NS)N2CCN(Cc3cccc(O)c3)CC2)c(Cl)c1 | Cc1ccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)c(Cl)c1 | N |
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<|startoftext|><L>CCOC(=S)SC<mask_1:1>ccc(Cl)n1<mask_1:1> | 3 | 10 | 1 | c1c | 1 | CCOC(=S)SC1ccc(Cl)n1 | CCOC(=S)SCc1cccc(Cl)n1 | 1 |
<|startoftext|><L>Cc1cc(C(=O<mask_1:4>2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)o1<mask_1:4> | 3 | 10 | 4 | )NC | 4 | Cc1cc(C(=O)NCC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)o1 | Cc1cc(C(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)o1 | )NCC |
<|startoftext|><L>OCCC[C@H]1CCCCN1[C@@H](Cc1ccccc1)c1c<mask_1:1>cc1<mask_1:1> | 2 | 36 | 1 | cc | 1 | OCCC[C@H]1CCCCN1[C@@H](Cc1ccccc1)c1cscc1 | OCCC[C@H]1CCCCN1[C@@H](Cc1ccccc1)c1ccccc1 | s |
<|startoftext|><L>CC(C)CCn1c(CN2CCN(S(N)(=<mask_1:4>CC2)nc2ccccc21<mask_1:4> | 5 | 24 | 4 | O)=O) | 5 | CC(C)CCn1c(CN2CCN(S(N)(=O)=O)CC2)nc2ccccc21 | CC(C)CCn1c(CN2CCN(S(N)(=O)=O)CC2)nc2ccccc21 | O)=O) |
<|startoftext|><L>COCC(=O<mask_1:7>N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1<mask_1:7> | 1 | 7 | 7 | ) | 7 | COCC(=O)NC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 | COCC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 | )NC(=O) |
<|startoftext|><L>O=C(C[C@@H]1CSc2nccc(=O)n21)Nc1c<mask_1:5>(F)F)cc(C(F)(F)F)c1<mask_1:5> | 6 | 32 | 5 | c(C(F) | 5 | O=C(C[C@@H]1CSc2nccc(=O)n21)Nc1cc(OCC(F)F)cc(C(F)(F)F)c1 | O=C(C[C@@H]1CSc2nccc(=O)n21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | c(OCC |
<|startoftext|><L>CCOC<mask_1:4>(=O)c1nn(CC)c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2<mask_1:4> | 0 | 4 | 4 | 4 | CCOCCCNC(=O)c1nn(CC)c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2 | CCOC(=O)c1nn(CC)c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2 | CCNC |
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<|startoftext|><L>CN(C)c1ccnc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2<mask_1:5>)c1<mask_1:5> | 0 | 49 | 5 | 5 | CN(C)c1ccnc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c(=O)c1 | CN(C)c1ccnc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 | )c(=O |
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<|startoftext|><L>Cc1ccsc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)<mask_1:6>1<mask_1:6> | 1 | 43 | 6 | C | 6 | Cc1ccsc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C(=O)C1 | Cc1ccsc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 | C(=O)C |
<|startoftext|><L>Cc1cc(N(C)C)nc(NC(=O)NCCN2CCN(c3<mask_1:6>3)CC2)n1<mask_1:6> | 5 | 32 | 6 | ncccn | 5 | Cc1cc(N(C)C)nc(NC(=O)NCCN2CCN(c3ccccc3)CC2)n1 | Cc1cc(N(C)C)nc(NC(=O)NCCN2CCN(c3ncccn3)CC2)n1 | ccccc |
<|startoftext|><L>Nn1c(SCC(=O)<mask_1:4>nccs2)nnc1-c1ccccn1<mask_1:4> | 3 | 12 | 4 | Nc2 | 4 | Nn1c(SCC(=O)NCc2nccs2)nnc1-c1ccccn1 | Nn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccn1 | NCc2 |
<|startoftext|><L>Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccccc4<mask_1:6>)on3)on2)cc1<mask_1:6> | 0 | 33 | 6 | 6 | Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccccc4C(C)=O)on3)on2)cc1 | Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccccc4)on3)on2)cc1 | C(C)=O |
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<|startoftext|><L>C=CCOc1ccccc1CNC(=O)<mask_1:3>C@@H]1CC[S@@](=O)C1<mask_1:3> | 2 | 20 | 3 | N[ | 3 | C=CCOc1ccccc1CNC(=O)NC[C@@H]1CC[S@@](=O)C1 | C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[S@@](=O)C1 | NC[ |
<|startoftext|><L>COc1ccc(S(=O)(=O)N2CC<mask_1:3>H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1<mask_1:3> | 5 | 21 | 3 | N([C@ | 3 | COc1ccc(S(=O)(=O)N2CC([CH](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 | COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 | ([C |
<|startoftext|><L>Nc1nc<mask_1:6>CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n[nH]1<mask_1:6> | 2 | 5 | 6 | (S | 6 | Nc1nc(C(=O)CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n[nH]1 | Nc1nc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n[nH]1 | (C(=O) |
<|startoftext|><L>COCCC<mask_1:2>OC(=O)Cc1ccc(C)nc1Cl<mask_1:2> | 0 | 5 | 2 | 2 | COCCCCCOC(=O)Cc1ccc(C)nc1Cl | COCCCOC(=O)Cc1ccc(C)nc1Cl | CC |
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<|startoftext|><L>CNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c<mask_1:3>C<mask_1:3> | 4 | 38 | 3 | cc1O | 3 | CNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1C | CNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1OC | cc1 |
<|startoftext|><L>COc1cccc<mask_1:4>c1nc(CNc2ccccc2N2CCC(O)CC2)cs1<mask_1:4> | 3 | 8 | 4 | c1- | 4 | COc1ccccc1OCc1nc(CNc2ccccc2N2CCC(O)CC2)cs1 | COc1ccccc1-c1nc(CNc2ccccc2N2CCC(O)CC2)cs1 | c1OC |
<|startoftext|><L>Cc1<mask_1:3>cccc1CSc1cnc2ccccc2n1<mask_1:3> | 1 | 3 | 3 | c | 3 | Cc1(O)cccc1CSc1cnc2ccccc2n1 | Cc1ccccc1CSc1cnc2ccccc2n1 | (O) |
<|startoftext|><L>CN(C(=O)<mask_1:8>C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@H]1CCS(=O)(=O)C1<mask_1:8> | 0 | 8 | 8 | 8 | CN(C(=O)CCC(=O)NC[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@H]1CCS(=O)(=O)C1 | CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@H]1CCS(=O)(=O)C1 | CCC(=O)N |
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<|startoftext|><L>O=C1NN<mask_1:6>2[C@@H]3CC[C@@H]4C[C@]12C[C@]1(C3)C(=O)NN=C41<mask_1:6> | 2 | 6 | 6 | =C | 6 | O=C1NNC[C@H]2[C@@H]3CC[C@@H]4C[C@]12C[C@]1(C3)C(=O)NN=C41 | O=C1NN=C2[C@@H]3CC[C@@H]4C[C@]12C[C@]1(C3)C(=O)NN=C41 | C[C@H] |
<|startoftext|><L>COc1cccc(C2CCN(C(=O)CCc3cc<mask_1:3>C)n3)CC2)c1F<mask_1:3> | 2 | 26 | 3 | n( | 3 | COc1cccc(C2CCN(C(=O)CCc3cccc(C)n3)CC2)c1F | COc1cccc(C2CCN(C(=O)CCc3ccn(C)n3)CC2)c1F | cc( |
<|startoftext|><L>O=S(=O)(CCc1ccc2c(c1)CCO2)N1CCO[C@<mask_1:3>cco2)C1<mask_1:3> | 7 | 34 | 3 | @H](c2c | 3 | O=S(=O)(CCc1ccc2c(c1)CCO2)N1CCO[C@]2(cco2)C1 | O=S(=O)(CCc1ccc2c(c1)CCO2)N1CCO[C@@H](c2ccco2)C1 | ]2( |
<|startoftext|><L>Nc1sc2c(c1C(=O)c1ccc(OC(F)F)cc1)<mask_1:4>CCC2<mask_1:4> | 0 | 32 | 4 | 4 | Nc1sc2c(c1C(=O)c1ccc(OC(F)F)cc1)CCCCCCC2 | Nc1sc2c(c1C(=O)c1ccc(OC(F)F)cc1)CCC2 | CCCC |
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<|startoftext|><L>CCCC<mask_1:7>cc1C1(C(=O)N[C@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@@H]23)CCCC1<mask_1:7> | 6 | 4 | 7 | Oc1ccc | 7 | CCCCCOc1ccccc1C1(C(=O)N[C@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@@H]23)CCCC1 | CCCCOc1ccccc1C1(C(=O)N[C@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@@H]23)CCCC1 | COc1ccc |
<|startoftext|><L>CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3c<mask_1:5>c3OC)C(C)(C)C2)cc1<mask_1:5> | 3 | 31 | 5 | ccc | 5 | CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3cn(C)nc3OC)C(C)(C)C2)cc1 | CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)C(C)(C)C2)cc1 | n(C)n |
<|startoftext|><L>COc1cccc<mask_1:2>F)c1C(=O)OCC[C@@H](C)OC<mask_1:2> | 1 | 8 | 2 | ( | 2 | COc1cccc(CF)c1C(=O)OCC[C@@H](C)OC | COc1cccc(F)c1C(=O)OCC[C@@H](C)OC | (C |
<|startoftext|><L>Cn1nnc(-c2ccc(C(=O)N<mask_1:6>CC4(CCNCC4)CC3)cc2)n1<mask_1:6> | 3 | 20 | 6 | 3CC | 6 | Cn1nnc(-c2ccc(C(=O)N[C@H]3CC4(CCNCC4)CC3)cc2)n1 | Cn1nnc(-c2ccc(C(=O)N3CCCC4(CCNCC4)CC3)cc2)n1 | [C@H]3 |
<|startoftext|><L>COc1ccc(O[C@H](C)C<mask_1:3>(=O)Nc2ccc(Br)c(Cl)c2)cc1<mask_1:3> | 0 | 18 | 3 | 3 | COc1ccc(O[C@H](C)CNCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 | COc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 | NCC |
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<|startoftext|><L>Cc1csc([C@H](C)CNC(=O)Nc2cc(<mask_1:4>3)nn2C)n1<mask_1:4> | 5 | 28 | 4 | C3CCC | 4 | Cc1csc([C@H](C)CNC(=O)Nc2cc(C3CC3)nn2C)n1 | Cc1csc([C@H](C)CNC(=O)Nc2cc(C3CCC3)nn2C)n1 | C3CC |
<|startoftext|><L>COc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)c<mask_1:6>1<mask_1:6> | 0 | 45 | 6 | 6 | COc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)c1OC1CC1 | COc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)c1 | 1OC1CC |
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<|startoftext|><L>CCc1ccc2nc(-c3ccc(C(<mask_1:4>)N(C)CCCO)cc3)cc(C)c2c1<mask_1:4> | 2 | 20 | 4 | =O | 4 | CCc1ccc2nc(-c3ccc(C(C)(C)N(C)CCCO)cc3)cc(C)c2c1 | CCc1ccc2nc(-c3ccc(C(=O)N(C)CCCO)cc3)cc(C)c2c1 | C)(C |
<|startoftext|><L>Cc1nc(-c2ccccc2)ccc<mask_1:3>N(C1CC1)[C@H](C)C(C)C<mask_1:3> | 6 | 19 | 3 | 1C(=O) | 3 | Cc1nc(-c2ccccc2)ccc1CCN(C1CC1)[C@H](C)C(C)C | Cc1nc(-c2ccccc2)ccc1C(=O)N(C1CC1)[C@H](C)C(C)C | 1CC |
<|startoftext|><L>C<mask_1:7>(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1<mask_1:7> | 2 | 1 | 7 | NS | 7 | CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 | CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 | CN(CC)S |
<|startoftext|><L>COc1ccc(-n2ncc3c2CC(C)(C)C[C@H<mask_1:7>NC(=O)c2ccno2)cc1<mask_1:7> | 2 | 30 | 7 | ]3 | 8 | COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)NC(=O)c2ccno2)cc1 | COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2ccno2)cc1 | ]3NC(=O) |
<|startoftext|><L>O=<mask_1:6>Cc1c(F)cccc1F)c1nnn(-c2ccc(C(F)(F)F)cc2)n1<mask_1:6> | 3 | 2 | 6 | C(N | 6 | O=S(=O)(Cc1c(F)cccc1F)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 | O=C(NCc1c(F)cccc1F)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 | S(=O)( |
<|startoftext|><L>N#Cc1c(N)nc2c(c1-c1ccc(O)c<mask_1:3>Cc1occ(C(=O)O)c1-2<mask_1:3> | 4 | 26 | 3 | c1)C | 3 | N#Cc1c(N)nc2c(c1-c1ccc(O)cc1)Cc1occ(C(=O)O)c1-2 | N#Cc1c(N)nc2c(c1-c1ccc(O)cc1)CCc1occ(C(=O)O)c1-2 | c1) |
<|startoftext|><L>CN1CCO[C<mask_1:4>(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C[C@H]21<mask_1:4> | 8 | 8 | 4 | @@H]2CCN | 4 | CN1CCO[C@@]2(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C[C@H]21 | CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C[C@H]21 | @@]2 |
<|startoftext|><L>CC[C@H](<mask_1:7>(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O<mask_1:7> | 4 | 8 | 7 | C)NC | 7 | CC[C@H](C)N(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O | CC[C@H](C)NC(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O | C)N(C)C |
<|startoftext|><L>O=<mask_1:8>c(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1ccc[nH]1<mask_1:8> | 7 | 2 | 8 | C(c1ccc | 8 | O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1ccc[nH]1 | O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1ccc[nH]1 | C(Nc1ccc |
<|startoftext|><L>CCN(C[C@@H]1CCOC1)C(=O)<mask_1:5>c(-c2ccco2)[nH]n1<mask_1:5> | 3 | 23 | 5 | c1c | 5 | CCN(C[C@@H]1CCOC1)C(=O)NCc1cc(-c2ccco2)[nH]n1 | CCN(C[C@@H]1CCOC1)C(=O)c1cc(-c2ccco2)[nH]n1 | NCc1c |
<|startoftext|><L>Cc1nc2ccccn2c1C(=O)NCc1nc(-c2cncc<mask_1:4>2)n[nH]1<mask_1:4> | 1 | 33 | 4 | n | 4 | Cc1nc2ccccn2c1C(=O)NCc1nc(-c2cncc(O)c2)n[nH]1 | Cc1nc2ccccn2c1C(=O)NCc1nc(-c2cnccn2)n[nH]1 | (O)c |
<|startoftext|><L>O=C(c1cc2nc[nH]c2cn1)N1C[C@@H](C<mask_1:3>[C@@](F)(CO)C1<mask_1:3> | 5 | 32 | 3 | 2CC2) | 3 | O=C(c1cc2nc[nH]c2cn1)N1C[C@@H](CO)C[C@@](F)(CO)C1 | O=C(c1cc2nc[nH]c2cn1)N1C[C@@H](C2CC2)[C@@](F)(CO)C1 | O)C |
<|startoftext|><L>O=C(CCc1nc<mask_1:6>2ccccc2[nH]1)N1CC[C@H](Nc2ncccn2)[C@@H](O)C1<mask_1:6> | 0 | 10 | 6 | 6 | O=C(CCc1nc(=O)oc2ccccc2[nH]1)N1CC[C@H](Nc2ncccn2)[C@@H](O)C1 | O=C(CCc1nc2ccccc2[nH]1)N1CC[C@H](Nc2ncccn2)[C@@H](O)C1 | (=O)oc |
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<|startoftext|><L>Cc1nc(C)c(S(=O)<mask_1:5>2cc(Cl)ccc2N2CCN(C)CC2)s1<mask_1:5> | 6 | 15 | 5 | (=O)Nc | 5 | Cc1nc(C)c(S(=O)(=O)c2cc(Cl)ccc2N2CCN(C)CC2)s1 | Cc1nc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)s1 | (=O)c |
<|startoftext|><L>CC(=O)Nc1ncc(S(=O)(=O)NC2CC<mask_1:3>)s1<mask_1:3> | 1 | 27 | 3 | 2 | 3 | CC(=O)Nc1ncc(S(=O)(=O)NC2CCCC2)s1 | CC(=O)Nc1ncc(S(=O)(=O)NC2CC2)s1 | CC2 |
<|startoftext|><L>CCC(C)(C)OC<mask_1:6>cc1NC(=O)N1CCC[C@H](C(N)=O)C1<mask_1:6> | 5 | 11 | 6 | c1ccc | 6 | CCC(C)(C)OCCc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1 | CCC(C)(C)OCc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1 | Cc1ccc |
<|startoftext|><L>CC(=O)<mask_1:2>nnc2c(c1C)C[C@@H]1[C@H]2C1(C)C<mask_1:2> | 3 | 6 | 2 | Nc1 | 2 | CC(=O)c1nnc2c(c1C)C[C@@H]1[C@H]2C1(C)C | CC(=O)Nc1nnc2c(c1C)C[C@@H]1[C@H]2C1(C)C | c1 |
<|startoftext|><L>C[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c<mask_1:6>n1cccn1<mask_1:6> | 5 | 34 | 6 | 2n1)C | 6 | C[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)CCn1cccn1 | C[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)Cn1cccn1 | 2c1)CC |
<|startoftext|><L>CCC<mask_1:3>c(C(=O)NCc2nc3ccccc3s2)ccc1=O<mask_1:3> | 4 | 3 | 3 | Cn1n | 3 | CCCn1nc(C(=O)NCc2nc3ccccc3s2)ccc1=O | CCCCn1nc(C(=O)NCc2nc3ccccc3s2)ccc1=O | n1n |
<|startoftext|><L>Cc1nn(C<mask_1:1>CC(N)=O)c(C)c1-c1cccc(N(C)C)c1<mask_1:1> | 0 | 7 | 1 | 1 | Cc1nn(CCCC(N)=O)c(C)c1-c1cccc(N(C)C)c1 | Cc1nn(CCC(N)=O)c(C)c1-c1cccc(N(C)C)c1 | C |
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<|startoftext|><L>CN1CCN(c2<mask_1:5>N(Cc3ccccn3)C[C@H]3CCCO3)n2)CC1<mask_1:5> | 6 | 9 | 5 | nccc(C | 5 | CN1CCN(c2nccc(N(Cc3ccccn3)C[C@H]3CCCO3)n2)CC1 | CN1CCN(c2nccc(CN(Cc3ccccn3)C[C@H]3CCCO3)n2)CC1 | nccc( |
<|startoftext|><L>O=C(Nc1ccc(F)cc1)c1ccc<mask_1:8>2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)cc1<mask_1:8> | 2 | 22 | 8 | (N | 8 | O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)cc1 | O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)cc1 | (NC(=O)N |
<|startoftext|><L>O=c1[nH]c<mask_1:2>/C=C/c2ccc(F)cc2)nc2cnccc12<mask_1:2> | 5 | 9 | 2 | (/C=C | 2 | O=c1[nH]c(N/C=C/c2ccc(F)cc2)nc2cnccc12 | O=c1[nH]c(/C=C/C=C/c2ccc(F)cc2)nc2cnccc12 | (N |
<|startoftext|><L>CS(=O)<mask_1:5>N1CCC(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1<mask_1:5> | 4 | 6 | 5 | (=O) | 5 | CS(=O)(=O)CN1CCC(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1 | CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1 | (=O)C |
<|startoftext|><L>O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)<mask_1:1>N2CCOCC2)cc1<mask_1:1> | 0 | 43 | 1 | 1 | O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)CN2CCOCC2)cc1 | O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 | C |
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<|startoftext|><L>Cc1ccc(Nc2scnc2C(=<mask_1:4>NCCS(C)(=O)=O)cc1<mask_1:4> | 2 | 18 | 4 | O) | 4 | Cc1ccc(Nc2scnc2C(=O)NCNCCS(C)(=O)=O)cc1 | Cc1ccc(Nc2scnc2C(=O)NCCS(C)(=O)=O)cc1 | O)NC |
<|startoftext|><L>CCCCC[C@](C)(O)/C=C/[C@H]1C(=O)C[C@<mask_1:7>[C@@H]1C/C=C\CCCC(=O)O<mask_1:7> | 5 | 35 | 7 | H](O) | 7 | CCCCC[C@](C)(O)/C=C/[C@H]1C(=O)C[C@@H](O)C[C@@H]1C/C=C\CCCC(=O)O | CCCCC[C@](C)(O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | @H](O)C |
<|startoftext|><L>COc1ccc(CNC(=O)CC[C@<mask_1:2>CCN(Cc3ccc(C)cc3C)C2)c(OC)c1<mask_1:2> | 4 | 20 | 2 | H]2C | 2 | COc1ccc(CNC(=O)CC[C@]2CCN(Cc3ccc(C)cc3C)C2)c(OC)c1 | COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(C)cc3C)C2)c(OC)c1 | ]2 |
<|startoftext|><L>Cc1cncc([C@@H]2CCCN2C(<mask_1:4>c2ccc3[nH]nnc3c2)n1<mask_1:4> | 3 | 22 | 4 | =O) | 4 | Cc1cncc([C@@H]2CCCN2C(=O)Cc2ccc3[nH]nnc3c2)n1 | Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 | =O)C |
<|startoftext|><L>c1ccc(C2=NN3[C@@H](C2)c<mask_1:5>cc2O[C@H]3c2cccnc2)cc1<mask_1:5> | 4 | 23 | 5 | 2ccc | 4 | c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1 | c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1 | 2ccc |
<|startoftext|><L>O=C(N<mask_1:2>)c1cccnc1O[C@H]1CCSC1<mask_1:2> | 4 | 5 | 2 | CCCO | 2 | O=C(NCO)c1cccnc1O[C@H]1CCSC1 | O=C(NCCCO)c1cccnc1O[C@H]1CCSC1 | CO |
<|startoftext|><L>C[C@H]1C[C@@H]1c1ccc(CNc2<mask_1:2>3c(c2)CCC(=O)N3)o1<mask_1:2> | 3 | 25 | 2 | ccc | 2 | C[C@H]1C[C@@H]1c1ccc(CNc2oc3c(c2)CCC(=O)N3)o1 | C[C@H]1C[C@@H]1c1ccc(CNc2ccc3c(c2)CCC(=O)N3)o1 | oc |
<|startoftext|><L>C<mask_1:4>@@H]1CCc2c(sc(NC(=O)c3c(C)noc3C)c2C#N)C1<mask_1:4> | 3 | 1 | 4 | C[C | 4 | CCC[C@@H]1CCc2c(sc(NC(=O)c3c(C)noc3C)c2C#N)C1 | CC[C@@H]1CCc2c(sc(NC(=O)c3c(C)noc3C)c2C#N)C1 | CC[C |
<|startoftext|><L>O=C1c2ccccc2<mask_1:5>O)N1C[C@@H]1CC(c2ccccc2)=NO1<mask_1:5> | 7 | 12 | 5 | S(=O)(= | 5 | O=C1c2ccccc2OCC(=O)N1C[C@@H]1CC(c2ccccc2)=NO1 | O=C1c2ccccc2S(=O)(=O)N1C[C@@H]1CC(c2ccccc2)=NO1 | OCC(= |
<|startoftext|><L>CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cc<mask_1:9>O)(=O)Nc3nccs3)cc2)cc1<mask_1:9> | 5 | 34 | 9 | c(S(= | 9 | CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(N(C)S(=O)(=O)Nc3nccs3)cc2)cc1 | CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 | c(N(C)S(= |
<|startoftext|><L>Cc1cc(C)n(-c2cccc(NC(=O)[C@@H]3CC(=O)<mask_1:7>ccccc43)c2)n1<mask_1:7> | 3 | 37 | 7 | Nc4 | 7 | Cc1cc(C)n(-c2cccc(NC(=O)[C@@H]3CC(=O)N(C)Cc4ccccc43)c2)n1 | Cc1cc(C)n(-c2cccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)c2)n1 | N(C)Cc4 |
<|startoftext|><L>Cc1<mask_1:3>n2cnnc2)c2ccccc2n1Cc1ccccc1<mask_1:3> | 4 | 3 | 3 | c(CC | 3 | Cc1c(Cn2cnnc2)c2ccccc2n1Cc1ccccc1 | Cc1c(CCn2cnnc2)c2ccccc2n1Cc1ccccc1 | c(C |
<|startoftext|><L>O=C(Nc1nnc(C2CCCCC2)s1)N1CCC[C@@H](<mask_1:4>)C1<mask_1:4> | 1 | 35 | 4 | O | 4 | O=C(Nc1nnc(C2CCCCC2)s1)N1CCC[C@@H](OCCO)C1 | O=C(Nc1nnc(C2CCCCC2)s1)N1CCC[C@@H](O)C1 | OCCO |
<|startoftext|><L>Fc1ccccc1/<mask_1:1>C=N/N1CCN(c2ccccc2)CC1<mask_1:1> | 0 | 10 | 1 | 1 | Fc1ccccc1/CC=N/N1CCN(c2ccccc2)CC1 | Fc1ccccc1/C=N/N1CCN(c2ccccc2)CC1 | C |
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<|startoftext|><L>CCOc1ccc(S(=O)(<mask_1:1>(=O)NCc2cccc3ccccc23)c2ccccc2)cc1<mask_1:1> | 7 | 15 | 1 | =O)N(CC | 1 | CCOc1ccc(S(=O)(C(=O)NCc2cccc3ccccc23)c2ccccc2)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc23)c2ccccc2)cc1 | C |
<|startoftext|><L>O=C(Cc1ccsc1)N1CCN(C(=O)<mask_1:3>c(=O)[nH]c2)CC1<mask_1:3> | 4 | 24 | 3 | c2cc | 3 | O=C(Cc1ccsc1)N1CCN(C(=O)c2sc(=O)[nH]c2)CC1 | O=C(Cc1ccsc1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 | c2s |
<|startoftext|><L>COc1ccc(Nc2nc3c(c(=O)[nH]2)<mask_1:1>C3)cc1OC<mask_1:1> | 3 | 27 | 1 | CCC | 1 | COc1ccc(Nc2nc3c(c(=O)[nH]2)CC3)cc1OC | COc1ccc(Nc2nc3c(c(=O)[nH]2)CCCC3)cc1OC | C |
<|startoftext|><L>N#Cc1c(NS(=O)(=O)c2cc<mask_1:6>(Br)cc3cccnc23)nc2n1CCS2<mask_1:6> | 0 | 21 | 6 | 6 | N#Cc1c(NS(=O)(=O)c2ccc(Cl)c(Br)cc3cccnc23)nc2n1CCS2 | N#Cc1c(NS(=O)(=O)c2cc(Br)cc3cccnc23)nc2n1CCS2 | c(Cl)c |
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<|startoftext|><L>COC(=O)c1[nH]c2ccc(Br)cc2c1NC<mask_1:3>=O)C1CC1<mask_1:3> | 1 | 29 | 3 | ( | 3 | COC(=O)c1[nH]c2ccc(Br)cc2c1NCNC(=O)C1CC1 | COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C1CC1 | NC( |
<|startoftext|><L>C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1cccc(S(=O)(=<mask_1:6>C2)c1<mask_1:6> | 8 | 46 | 6 | O)N2CCOC | 6 | C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 | C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 | O)NC2C |
<|startoftext|><L>O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(<mask_1:5>cnc2)c1<mask_1:5> | 6 | 29 | 5 | OCCn2c | 5 | O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(-c2cccnc2)c1 | O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(OCCn2ccnc2)c1 | -c2cc |
<|startoftext|><L>COc1ccc(C#N)c(NS(=O)(=O)c2<mask_1:2>cc(Br)ccc2OC)c1<mask_1:2> | 0 | 26 | 2 | 2 | COc1ccc(C#N)c(NS(=O)(=O)c2cccc(Br)ccc2OC)c1 | COc1ccc(C#N)c(NS(=O)(=O)c2cc(Br)ccc2OC)c1 | cc |
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<|startoftext|><L>Cc1cccc(O<mask_1:2>=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C<mask_1:2> | 3 | 9 | 2 | CC( | 2 | Cc1cccc(OC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C | Cc1cccc(OCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C | C( |
<|startoftext|><L>O=C(O)[C@@H]1[C@@H](C(=O)NCCCCNC(=O)[C@H]2[<mask_1:13>)O)[C@H]3C=C[C@@H]2C3)[C@H]2C=C[C@@H]1C2<mask_1:13> | 10 | 43 | 13 | C@@H](C(=O | 14 | O=C(O)[C@@H]1[C@@H](C(=O)NCCCCNC(=O)[C@H]2[C@H](C(=O)C(=O)O)[C@H]3C=C[C@@H]2C3)[C@H]2C=C[C@@H]1C2 | O=C(O)[C@@H]1[C@@H](C(=O)NCCCCNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@H]2C3)[C@H]2C=C[C@@H]1C2 | C@H](C(=O)C(=O |
<|startoftext|><L>N<mask_1:4>C(N)N/C(N)=N\c1cccc(C(=O)O)c1<mask_1:4> | 1 | 1 | 4 | = | 4 | N#CCNC(N)N/C(N)=N\c1cccc(C(=O)O)c1 | N=C(N)N/C(N)=N\c1cccc(C(=O)O)c1 | #CCN |
<|startoftext|><L>Cc1cc(NC(=O)[C@H](Nc<mask_1:1>c3c(c2)NC(=O)[C@@H](C)O3)c2ccccc2)no1<mask_1:1> | 3 | 20 | 1 | 2cc | 1 | Cc1cc(NC(=O)[C@H](Nc2c3c(c2)NC(=O)[C@@H](C)O3)c2ccccc2)no1 | Cc1cc(NC(=O)[C@H](Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c2ccccc2)no1 | 2 |
<|startoftext|><L>C[C@@H](c1ccco1)N(C)Cc1ccc(C(=<mask_1:4>NCc2nc3ccccc3s2)c(=O)[nH]1<mask_1:4> | 2 | 30 | 4 | O) | 4 | C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)CCNCc2nc3ccccc3s2)c(=O)[nH]1 | C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 | O)CC |
<|startoftext|><L>C[C@@H]<mask_1:5>@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnnn3C[C@@H]3CCCO3)cc2)C1<mask_1:5> | 4 | 7 | 5 | 1C[C | 5 | C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnnn3C[C@@H]3CCCO3)cc2)C1 | C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnnn3C[C@@H]3CCCO3)cc2)C1 | 1C[C@ |
<|startoftext|><L>CN(C)c1<mask_1:5>nc1C[C@H]1CCCN(C(=O)Cc2cccnc2)C1<mask_1:5> | 3 | 7 | 5 | ncc | 5 | CN(C)c1n[nH]nc1C[C@H]1CCCN(C(=O)Cc2cccnc2)C1 | CN(C)c1nccnc1C[C@H]1CCCN(C(=O)Cc2cccnc2)C1 | n[nH] |
<|startoftext|><L>CC1(C)O[C@H]<mask_1:8>C@H]3[C@H](O[C@@H](c4ccccc4)O[C@H]3CNCCO)[C@@H]2O1<mask_1:8> | 3 | 12 | 8 | 2O[ | 8 | CC1(C)O[C@H]2C(=O)O[C@H]3[C@H](O[C@@H](c4ccccc4)O[C@H]3CNCCO)[C@@H]2O1 | CC1(C)O[C@H]2O[C@H]3[C@H](O[C@@H](c4ccccc4)O[C@H]3CNCCO)[C@@H]2O1 | 2C(=O)O[ |
<|startoftext|><L>O=C(O)CCNS(=O)(=O)c1ccc(C<mask_1:5>Cl)c1<mask_1:5> | 4 | 25 | 5 | l)c( | 5 | O=C(O)CCNS(=O)(=O)c1ccc(Cl)c(CCl)c1 | O=C(O)CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 | l)c(C |
<|startoftext|><L>COc1ccc<mask_1:5>](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1<mask_1:5> | 6 | 7 | 5 | (N[C@H | 5 | COc1ccc([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 | COc1ccc(N[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 | ([C@H |
<|startoftext|><L>Cn1cnc2c1[C@H](C(=O)NCc1cccs1<mask_1:6>1CCCC1)C2<mask_1:6> | 5 | 29 | 6 | )CN(C | 6 | Cn1cnc2c1[C@H](C(=O)NCc1cccs1)CN(CC1CCCC1)C2 | Cn1cnc2c1[C@H](C(=O)NCc1cccs1)CN(C1CCCC1)C2 | )CN(CC |
<|startoftext|><L>C[C@@H]1CN(Cc2nnc(C3CC3)o2)CCN<mask_1:3>(O)c1ccccc1<mask_1:3> | 7 | 30 | 3 | 1C[C@H] | 3 | C[C@@H]1CN(Cc2nnc(C3CC3)o2)CCN1CC(O)c1ccccc1 | C[C@@H]1CN(Cc2nnc(C3CC3)o2)CCN1C[C@H](O)c1ccccc1 | 1CC |
<|startoftext|><L>O=C(c1ccccc1Cl)N1CC[C@@]23OCCN2C(=<mask_1:5>)C[C@@H]13<mask_1:5> | 1 | 34 | 5 | O | 5 | O=C(c1ccccc1Cl)N1CC[C@@]23OCCN2C(=O)C(F)C[C@@H]13 | O=C(c1ccccc1Cl)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 | O)C(F |
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