4922uniqueweb.csv

SMILES,RDL_score,QED,STEP,TERMINATED
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[H]C1C[C@@H](C[C@H](N)C(=O)C=O)C(=O)N1,0.84, 0.4154712089209587),10170,TRUE
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C[C@@H](C=O)C[C@H](O)C(c1cc(F)c(F)cc1F)N(C(=O)/C=C/c1ccccc1)C(/C=C/C=O)C[C@@H]1CCNC1=O,0.6, 0.2212155560531336),5333,TRUE
CC(C[C@@H]1CCN(c2nccs2)C1=O)C(C(=O)NC(C)(/C=C/C=O)Oc1ccccc1)c1cccnn1,0.6, 0.23302381276585074),7342,TRUE
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[H]NC([H])[C@H](N[C@@H]1CCNC1=O)C(=O)C=O,0.6, 0.337109539384828),9001,TRUE
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CC(C[C@@H]1CCNC1=O)C(C(=O)N(c1c[nH]nn1)C(C)/C=C/C=O)c1cc(=O)c2c(O)cc(O)cc2o1,0.6, 0.2468720862595112),24296,TRUE
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CC[C@@H](N)Cc1ccc(-c2ccc(C[C@H](N)C(=O)C=O)cc2)cc1C,0.25, 0.5720235256456749),5494,TRUE
CCCc1cccc2cnc3cccc(CC(N)C(=O)C(N)=O)c3c12,0.25, 0.532972065560024),6138,TRUE
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CC[C@H](C)c1cc(Sc2ccccc2)c(=O)oc1C[C@H](N)C(=O)C=O,0.25, 0.5755545146900829),7279,TRUE
[H]C([H])(c1c(C)cc(Cc2ccccc2)cc1C)[C@H](N)C(=O)C=O,0.25, 0.6578307377006809),7713,TRUE
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C[C@H](N[C@@H]1CC2CCCCC2CN1)C(=O)C(=O)Nc1cccc(-c2cccc(Cl)c2Cl)n1,0.25, 0.5294509165176409),10618,TRUE
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N[C@@H](Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1nc2ccccc2[nH]1,0.25, 0.6190821509254439),15672,TRUE
[H]N(Cc1cc([H])cc(Cl)c1)[C@@H](Cc1ccc2cccnc2c1C)C(=O)C=O,0.25, 0.5117437436653246),17086,TRUE
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[H]Nc1cc(Cl)c([H])cc1NC(=O)C(=O)[C@H](C)NC(C)(C)C,0.25, 0.5874719676796183),19053,TRUE
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[H]C(=O)C(=O)[C@@H](N)Cc1ccc2c(c1)cc([H])n2C(=O)Cc1c(F)cc(F)cc1F,0.25, 0.5198539367690694),22476,TRUE
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[H]OC(=O)C(=O)[C@@H](N)Cc1ccc(Cl)c([H])c1-c1ccccc1,0.25, 0.8317974403820511),25423,TRUE
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[H]OC(=O)C(=O)[C@@H](N)Cc1cccc(Cl)c1-c1cccc2ccccc12,0.25, 0.6854651062270153),28601,TRUE
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[H]N(C(=O)C(=O)[C@H](C)N)c1cc(Cl)cc(Cl)c1,0.25, 0.8153210331193339),29063,TRUE
Cc1cccc(C(c2cc(F)c(F)cc2F)[C@H](N)C(=O)C=O)c1,0.25, 0.5230963315014774),30246,TRUE
N[C@@H](Cc1ccc(-c2ncc(-c3cccs3)s2)cc1)C(=O)C=O,0.25, 0.551470002227098),30274,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1c(C)ccc(-c2cc(F)c(F)cc2F)c1C,0.25, 0.5189974857929536),30862,TRUE
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Cn1ccc(NC(=O)C(=O)C(N)CC2CCC(Oc3cncc(Cl)c3)CC2)c1,0.25, 0.6909603600836608),32521,TRUE
[H]N(C(=O)C(=O)[C@H](C)N)c1cccc(N(c2cccc(Cl)c2)C2CCCC2)n1,0.25, 0.7392349048003938),32661,TRUE
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[H]c1ccc(OC(=O)C(=O)[C@@H](N)Cc2ccccc2)c(Cl)c1Cl,0.25, 0.5168379674310976),32864,TRUE
[H]C(c1cccc(Cl)c1Cl)(c1cc([H])cc2[nH]c([H])cc12)[C@H](N)C(=O)C=O,0.25, 0.5374456683108992),33172,TRUE
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[H]C[C@H](N)C(=O)C(=O)Nc1ccc(-c2ccccc2)cc1,0.25, 0.8349633896520327),33977,TRUE
Cc1cc(O)ccc1C[C@@H](C(=O)C=O)N(c1cccnc1)[C@@H]1CC2CCCCC2CN1,0.25, 0.5266786795013066),34264,TRUE
C[C@H](NC(C)(C)C)C(=O)C(=O)Nc1c(N[C@@H](C)C(=O)c2nccs2)c(Cl)cc(Cl)c1-c1ccc(Cl)cc1Cl,0.24, 0.17134911143775783),6,TRUE
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C[C@@H](C(=O)C(=O)N1CCOCC1)N(c1ccc([C@@H]2C[C@H]3CCCC[C@@H]3CN2)c(C#N)c1)c1ccon1,0.24, 0.6126548114798762),20,TRUE
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[H]Oc1ccc2c(OC(C)C3CC(C[C@H](N)CC)CC3N[C@@H](C)C(=O)C=O)nc3ccccc3c2c1,0.24, 0.22846542885874987),48,TRUE
CC(/C=C/C=O)N[C@@H](C)C(=O)Oc1nc2ccccc2c2cccc(NCc3cc(F)c(F)cc3F)c12,0.24, 0.10321738605654603),55,TRUE
CC(/C=C/C=O)NCc1nc(N)sc1-c1oc2cc(O)c(CS(=O)C3=[SH]c4ncccc4N3)c(O)c2c(=O)c1O,0.24, 0.0674437548722896),62,TRUE
C[C@H](N[C@@H]1OC1Oc1nc2c(-c3ccc(/C=C/C=O)cc3)cccc2c2cc(-c3ccc(Cl)cc3Cl)ccc12)C(=O)C=O,0.24, 0.05944992611985755),97,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)Nc1ccc(Oc2ccc3c(OC(C)(/C=C/C=O)NCC=O)nc4ccccc4c3c2)c(Cl)c1Cl,0.24, 0.05501175104437454),111,TRUE
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CCCc1cccc2c(OC3CC(N[C@@H](C)C(=O)C(=O)N[C@@H](CCC=O)C(=O)CF)C3)nc3ccccc3c12,0.24, 0.18334527797948813),132,TRUE
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CC(N)(/C=C/C=O)c1c(-c2cncc(Br)c2)[nH]c2c(Oc3nc4ccccc4c4ccccc34)cccc12,0.24, 0.12503488600553378),174,TRUE
CC(/C=C/C=O)(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(Cl)cc1Oc1cccnc1[C@@H]1C[C@@H]2CCCC[C@@H]2CN1,0.24, 0.14473538676114464),181,TRUE
Cn1ccc(CNC(C)(/C=C/C=O)Oc2nc3ccccc3c3cccc(NS(=O)(=O)C4(C)CC4)c23)c1,0.24, 0.13702670657028662),188,TRUE
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[H]NC1CCCC(c2oc3c(N[C@@H](C)C(=O)C(F)(F)F)c(O)cc(O)c3c(=O)c2O)C1NC(=O)C(=O)[C@H](C)N,0.24, 0.14706727414536147),209,TRUE
C[C@H](NC(=O)[C@H](C)C(Nc1ccc(-c2ccccc2)cc1)C(=O)[C@@H](N)C(C)(C)Oc1nc2ccccc2c2ccccc12)C(=O)C=O,0.24, 0.08806052431537548),223,TRUE
C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)C(=O)N[C@H](C=O)CCCC(N)c1c(F)cc(F)cc1F,0.24, 0.17989570400064953),237,TRUE
CC(/C=C/C=O)NC(=O)[C@@H](N)CC(C)(C)Oc1nc2c(OCCc3ccccc3Cl)cccc2c2ccccc12,0.24, 0.12915535819829885),258,TRUE
CCCC12C[C@@H](NC(C)/C=C/C=O)NCC1CCCC2c1cc(=O)c2c(O)c(Nc3onc(C)c3[N+](=O)[O-])c(O)cc2o1,0.24, 0.07024433572463362),286,TRUE
CC(Oc1ccc(C(C)(C)OC(C)(/C=C/C=O)NC(Oc2nc3ccccc3c3ccccc23)c2ccccc2)c(N)c1)C1CCOC1=O,0.24, 0.03327131298883915),293,TRUE
C[C@H](NC(C)(NS(=O)(=O)c1ccc(N)c(Nc2ccc(NC(=O)c3cnccn3)cc2)c1)c1ccc(F)cc1)C(=O)C=O,0.24, 0.06955217610803474),307,TRUE
CC[C@@H](C)[C@@H](C=O)Nc1cccc(Nc2cc(S(=O)(=O)Nc3ccc(=O)oc3C(C)(N)/C=C/C=O)ccc2N)n1,0.24, 0.11522285149941551),314,TRUE
C[C@H](N[C@@H]1CCCN1)C(=O)C(=O)N1CC(c2ccc3[nH]ccc3c2)OCC1On1nnc2ccccc21,0.24, 0.3242902716775204),321,TRUE
CCCc1sc(N)nc1CN(C(N[C@@H](C)CCC=O)c1ccccc1)[C@@H](C)C(=O)C(=O)OC,0.24, 0.18555587595062567),335,TRUE
CC(=O)n1c(CN)cc2cc(-c3cc(C)nnc3NCC(=O)NC(C)(/C=C/C=O)c3ccccn3)ccc21,0.24, 0.2295844726582335),342,TRUE
CC(/C=C/C(=O)N[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C=O)N[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](Cc2ccc(Cl)cc2Cl)O1,0.24, 0.22229676732187242),349,TRUE
N[C@@H](Cc1cncc(Oc2nc3ccccc3c3c(-c4ccccc4[N+](=O)[O-])c(-c4ccccc4)ccc23)c1)C(=O)C=O,0.24, 0.06897767563301634),363,TRUE
[H]Nc1cc(/C=C/C(=O)N[C@@H](C)C(=O)C(=O)Nc2nc3ccccc3[nH]2)cc2c1OCO2,0.24, 0.2682955131985623),370,TRUE
C[C@H](N[C@H](C)[C@H](C)NCc1ccn(C)c1-c1c[nH]cn1)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.5182468063611748),391,TRUE
CC(/C=C/C=O)N(CCn1ccnn1)[C@H]1NCC2(c3cccc(/C=C/C=O)c3)CCCCC2C1N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.3236318627639446),412,TRUE
CCC(C)(C)Nc1ccc(CN)c2c(NC(C)(/C=C/C=O)NC(C)=O)c(N[C@H](C=O)CCCC(N)=O)[nH]c12,0.24, 0.09865139416954154),419,TRUE
CC(N)(/C=C/C=O)c1nc(C(F)(F)F)[nH]c1Oc1nc2ccccc2c2cc(-c3cccc([N+](=O)[O-])c3)ccc12,0.24, 0.07877918724590117),440,TRUE
CCN[C@@H](C)C(=O)C(=O)Oc1nc2cccc(-c3ccc(NCC(O)C(C)N)cc3)c2c2ccccc12,0.24, 0.1476820477828122),447,TRUE
C[C@H]1O[C@@H](OC(C)(N)/C=C/C(=O)OC(C)(Cc2ccc(C(=O)C(F)F)o2)NCC=O)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.07738015304948481),468,TRUE
CC(/C=C/C=O)(NCc1ccc([N+](=O)[O-])cc1Oc1nc2ccccc2c2ccccc12)Oc1cccc(Cl)c1Cl,0.24, 0.0439885910020805),482,TRUE
Cc1cccc(C)c1Oc1ccc2c(OC(C)(/C=C/C=O)Nc3ccc(Cl)cc3)nc3c([C@H](N)C=O)cccc3c2c1,0.24, 0.07589318170299562),489,TRUE
CC1C(=O)OC[C@@H]1N[C@@H](C)C(=O)C(=O)N[C@H](C(=O)C[C@@H](C)C=O)C(C)(C)c1ccc(O)c(Cl)c1Cl,0.24, 0.2257008023155701),510,TRUE
CNC(=O)C(=O)[C@@H](N)C([C@@H]1OC1(NC(C)C(=O)C(F)(F)F)C(=O)/C=C(\O)C(=O)O)N1CC[C@@H]2CCCC[C@@H]2C1,0.24, 0.09703761113820554),517,TRUE
C=C(CC)C(=O)c1ccccc1-c1ccc(N=Cc2ncoc2O)c(C(C)(/C=C/C=O)NC(=O)[C@@H](N)C(C)(C)C)c1,0.24, 0.12380797729403373),524,TRUE
C[C@H](NC(=O)CC[C@@H](C=O)Nc1c[nH]c(C(F)F)n1)C(=O)C(=O)NC1CCCC1,0.24, 0.3186659206943415),531,TRUE
C[C@H](O)[C@H](N)C(=O)N(c1c(O)c(Cl)cc(Cl)c1Cl)C(C)(/C=C/C=O)N1C[C@H]2CC(C(F)F)CC[C@@H]2C[C@H]1C,0.24, 0.21484869922235336),538,TRUE
CC(/C=C/C(=O)N[C@H](C(=O)CF)C(CC=O)c1ccc(C=O)s1)NCC(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.09731538977436273),545,TRUE
CC[C@H](C)c1cc(O)cc(-c2ccc(C(N)(/C=C/C=O)Cc3ccn(C)c3Oc3nc4ccccc4c4ccccc34)cc2)c1,0.24, 0.0940739564415145),559,TRUE
C[C@H](NC(=O)/C=C/c1ccccc1N[C@@H](C)[C@H](O)Cn1ccc2ncnc-2c1)C(=O)C=O,0.24, 0.25041460485920175),566,TRUE
C[C@@H](/C=C/C(=O)N[C@@H](C)C(=O)C=O)NC1C[C@H](OC(=O)C(=O)[C@H](C)N)CO1,0.24, 0.1744628001519769),573,TRUE
C[C@H](NC(C)(/C=C/C=O)NC(=O)/C=C/c1cccc(-c2cc(C3CCCCC3)c(C=O)o2)c1)C(=O)C=O,0.24, 0.19262137756884332),580,TRUE
CC(=O)C(=O)C(NC(=O)C(=O)[C@H](C)N[C@@H](CCc1oc2cccc(O)c2c(=O)c1O)C(=O)O)[C@@H](C)O,0.24, 0.19403718332517286),587,TRUE
CC(C)C[C@@H](C(=O)NC(C)(/C=C/C=O)Nc1ccc(Cl)cc1-c1cccs1)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.1495646819049173),601,TRUE
CC(C)C[C@@H](C(=O)NC(C)(/C=C/C=O)Oc1nc2ccccc2c2c(CN3C(=O)C(=O)c4cc(F)ccc43)cccc12)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.04730296892130127),622,TRUE
C[C@H](NC1CC2CC(c3c[nH]c(-n4cc5c(c4)C(=O)C=CC5=O)n3)CCC2(Oc2nc3ccccc3c3ccccc23)CN1)C(=O)C=O,0.24, 0.125455914432721),636,TRUE
Cc1noc(NC(c2ccc(C(=O)NC(C)(/C=C/C=O)c3cccc(/C=C/C=O)c3)s2)C(N)C(=O)C(N)=O)c1[N+](=O)[O-],0.24, 0.06935953810550005),643,TRUE
CC(N)(/C=C/C=O)c1c(N)cccc1Oc1nc2cccc(-c3ccc(Cl)cc3Cl)c2c2ccccc12,0.24, 0.10217598396641697),650,TRUE
C=C[C@@H]1C[C@]1(N)c1cc(Oc2nc3ccccc3c3ccccc23)c2cc(C(=O)N[C@@H](C)C(=O)C=O)[nH]c2c1,0.24, 0.11596287249229985),657,TRUE
CCOc1[nH]c2c(C(C)(N)/C=C/C=O)ccc(-c3c(C)cc(CC[C@H](N)C(=O)O)cc3C)c2c1[C@H](N)C=O,0.24, 0.1784519657347202),664,TRUE
CNC(C)(C)C[C@@H](C=O)C(=O)[C@@H](Nc1ccc2c(c1)nc(OC(C)(N)/C=C/C=O)c1ccccc12)[C@@H](C)O,0.24, 0.08782662024877023),671,TRUE
C=C[C@@H]1C(CC(=O)[C@@H](N)CCC=O)[C@]1(N)CC(C)OC(C)(/C=C/C=O)NC(=O)/C=C/c1ccccc1N[C@H](C=O)CC,0.24, 0.07833703469281886),699,TRUE
CC(N)(/C=C/C=O)N[C@H](CO)C(=O)N[C@H](C(=O)C(F)(F)F)C(CC(=O)O)Oc1nc2ccccc2c2ccccc12,0.24, 0.0867973590062235),706,TRUE
Cc1cc(C(F)(F)F)c(N[C@H](C=O)C(C)C)c(C)c1C[C@H](N)C(=O)C(=O)N[C@@H](CC(C)C)B(O)O,0.24, 0.16747050695416943),713,TRUE
Cc1c(-c2cc3[nH]cnc3cc2C(C)(/C=C/C=O)NC(=O)/C=C/c2ccc(Cl)cc2F)c(-c2nc3ccn(C)cc-3n2)cc2cccnc12,0.24, 0.1272348842837598),720,TRUE
Cc1cc(O)ccc1Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2NC2CCCCC2N[C@@H](C)C(=O)C=O)cc1,0.24, 0.11526404347374085),727,TRUE
C=C[C@@H]1C(Oc2nc3cccc(N[C@H](C=O)CC)c3c3cc(-c4cccc(N)c4)ccc23)[C@H]1NC(=O)C(=O)[C@H](C)N,0.24, 0.07186628456935386),734,TRUE
Cn1ccc2nc(-c3cccc4c3c(NC(C)(/C=C/C=O)c3nnc(S)n3-c3ccccc3)nc3ccccc34)nc-2c1,0.24, 0.09924995413259113),748,TRUE
C[C@H](NC(=O)C(=O)[C@H](C)NC(=O)[C@@H](NC[C@@H](O)[C@H](C)N)C(C)(C)C)C(=O)C=O,0.24, 0.1968221604247111),755,TRUE
N[C@@H](Cc1sc2ccccc2c1CS(=O)C1=[SH]c2ncccc2N1)C(=O)C(=O)N1CCCNC1=O,0.24, 0.21785732901742075),776,TRUE
CNC(C)(/C=C/C=O)NC(=O)[C@H](C)C(N[C@@H](C)C(=O)c1nccs1)[C@H](O)[C@@H](Nc1cc(O)c(O)c(O)c1)C(C)C,0.24, 0.03836918138463753),783,TRUE
CC(=O)[C@H](C)NC(=O)C(=O)[C@H](C)Nc1nc(Nc2ccc(C(=N)N)cc2)[nH]c1C(F)(F)NS(=O)(=O)c1ccc(N)cc1,0.24, 0.045919806941343164),804,TRUE
C#CC[C@@H](C=O)Nc1cc(C(NC(C)(/C=C/C=O)OCC)c2cc(Cl)cc(-c3ccccc3)c2)c(CC)cc1Cl,0.24, 0.09041556698336438),811,TRUE
CCCc1cccc2c1nc(CN[C@@H](C)C(=O)C(=O)NC(C)C(=O)C(N)=O)n2C,0.24, 0.48430508788662),818,TRUE
Cc1nc(C(C)N(C(=O)/C=C/[C@H](C)N)[C@@H](C)C(=O)C(=O)Nc2onc(C)c2[N+](=O)[O-])cs1,0.24, 0.24334739265861943),832,TRUE
CCCC[C@@H](C=O)N(C(=O)c1cc(C)on1)C(C)(/C=C/C=O)Nc1cc2occc(=O)c2c(O)c1N[C@H](C=O)CCCCN,0.24, 0.05370628605075371),853,TRUE
Cc1cc(Nc2onc(C)c2[N+](=O)[O-])cc(C)c1OC(=O)C(=O)[C@H](C)N[C@@H](C)C=O,0.24, 0.15473509101646346),860,TRUE
CC(C)C[C@@H](C(=O)NC(C)/C=C/C=O)C(=O)[C@@H](Nc1ccc2[nH]c(N[C@@H](C=O)CO)nc2c1)[C@@H](C)O,0.24, 0.11897096163368732),867,TRUE
CCC1(NC(=O)/C=C/C(C)(N)c2ccc3[nH]c(Nc4onc(Cc5oc6cc(O)cc(O)c6c(=O)c5O)c4[N+](=O)[O-])nc3c2)CC1,0.24, 0.06579779090089025),874,TRUE
CC(N)(/C=C/C=O)Oc1nc2cccc(O[C@@H]3COC(c4cncc(Br)c4)C3)c2c2ccccc12,0.24, 0.14952259487574673),881,TRUE
CC(/C=C/C=O)(NC(=O)/C=C/c1ccccc1)O[C@@H]1COCC1Nc1ccc(-c2ccccc2Nc2nc3ccccc3[nH]2)cc1,0.24, 0.07239221505819819),895,TRUE
NC(/C=C/C=O)(Cc1cccc([N+](=O)[O-])c1)Oc1nc2ccccc2c2c(CC(=O)c3ccco3)cccc12,0.24, 0.04937714706892148),902,TRUE
C=C(CC)C(=O)c1cc(-c2ccc(N[C@@H](C)C=O)c(C(C)(N)/C=C/C(=O)N[C@@H](C)/C=C/C=O)c2N)cc(NC)c1O,0.24, 0.0657795496547909),909,TRUE
Cc1cc(CC2CCOC2=O)cc2cc(N[C@@H](C)[C@@H](C)O)c(-c3cccc4nnn(OC(=O)C(=O)[C@H](C)N)c34)nc12,0.24, 0.1555008456104307),916,TRUE
CC(C=O)N(C(=O)C(=O)[C@H](Cc1cccc(C#N)c1)N(Cc1cnccc1C=O)C1CCOC1=O)C(=O)c1ccco1,0.24, 0.1771494436930105),923,TRUE
CC[C@@H](C=O)Nc1cccc2nc(OC3C[C@H](OC(=O)C(=O)[C@H](C)N)CO3)c3cccc(-c4ccc(O)c(O)c4)c3c12,0.24, 0.07149899685584352),937,TRUE
C[C@H](NC(C)(C)Oc1nc2cc(NC(C=O)C(CC(=O)O)N[C@H](C=O)C(C)(C)C)ccc2c2ccccc12)C(=O)C=O,0.24, 0.09054186785893932),944,TRUE
CCc1c(O)c(C[C@@H](C=O)C[C@@H](C)O)c2oc(C(C)(N)/C=C/C(=O)N[C@H](C=O)CC)c(O)c(=O)c2c1O,0.24, 0.17625260674496354),951,TRUE
CC(O)C(C)NC(N[C@@H](C)C(=O)C=O)C(C)Cc1c(-c2cc(O)c3c(=O)ccoc3c2)oc2cc(O)cc(O)c2c1=O,0.24, 0.08604195376231372),972,TRUE
C[C@@H](/C=C/C=O)Nc1ccccc1OC1CC(N[C@@H](C)C(=O)C(N)=O)C(=O)O1,0.24, 0.22481483520119303),993,TRUE
CC(C)(C)[C@H](N)C(=O)N[C@@H](Cc1ccn(C[C@H]2NC[C@@H]3CC(Nc4nc5ccccc5[nH]4)C[C@H]23)c1)C(=O)C=O,0.24, 0.1978482783222436),1007,TRUE
CC(C)[C@H](NC1O[C@H]2OCC[C@H]2[C@H]1Oc1ccc2c(c1)nc(OC(C)(N)/C=C/C=O)c1ccccc12)C(=O)C[C@@H](C)C=O,0.24, 0.12979976717477662),1021,TRUE
CCCC[C@@H](C=O)NC(C)(/C=C/C=O)Nc1sccc1-c1ccc(Cl)cc1Sc1nncn1-c1ccccc1,0.24, 0.09411087260651782),1028,TRUE
[H]C(=O)/C=C/c1cccc(NC(CCC(=O)O)C(=O)N[C@H](C=O)C(CC=O)N[C@@H](C)C(=O)C=O)c1,0.24, 0.1360778996216758),1035,TRUE
C[C@H](N[C@@H](CC(c1c(N=Cc2ncoc2O)cccc1-c1c[nH]c2ccccc12)[C@H]1CO1)C(=O)O)C(=O)C=O,0.24, 0.09278150987050432),1042,TRUE
CC(=O)Nc1ccc(C(C)[C@@H](C)[C@H](N)C(=O)NC(C)(/C=C/C=O)NCC(=O)Oc2nc3ccccc3c3ccccc23)cc1C#N,0.24, 0.05978798337404946),1063,TRUE
CC[C@@H](C=O)Nc1ccc2c(OC(C)(N)/C=C/C=O)nc3cccc(N[C@H](C=O)CCC(=O)N4CCC5CCCCC5C4)c3c2c1,0.24, 0.09282014848784975),1091,TRUE
CC[C@H](N)C(=O)N(C(=O)C(=O)[C@H](C)NC(=O)[C@H](C)C[C@@H](C)O)c1nc2ccc(N3CCn4cnnc4C3)cc2[nH]1,0.24, 0.25299484669545386),1098,TRUE
C[C@@H](C=O)CC(=O)[C@@H](NC(F)C(=O)c1cc(C(F)(F)F)c(C(C)(/C=C/C=O)NC=O)o1)C(C)(C)c1nc2ccccc2c2ccccc12,0.24, 0.039831241392890473),1105,TRUE
CCc1[nH]ccc2nc(Cc3oc(=O)oc3CNC(C)(/C=C/C=O)OC(C(C)C)N3CCNCC3)nc1-2,0.24, 0.1877523152864794),1112,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc(N([H])[H])c2[nH]c(C=O)cc2c1,0.24, 0.4023427447144184),1119,TRUE
Cc1csc(CC2(S(=O)(=O)NC34CCCCC3CN(C(C)C(C)(C)NC(=O)C(=O)[C@H](C)N)CC4)CC2)n1,0.24, 0.3784924941788034),1140,TRUE
CC(NC(=O)C(=O)[C@H](C)Nc1cc2nc[nH]c2cc1-c1cccc(/C=C/C=O)c1)C(=O)C(=O)NC(=O)c1cc2ccccc2[nH]1,0.24, 0.08639768010951915),1154,TRUE
C[C@H](NC(=O)[C@@H](N[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](C)O1)[C@@H](C)O)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)Cc1ccc(Cl)cc1,0.24, 0.3912017900349618),1161,TRUE
CCCC[C@H](NC1[C@H]2CCC[C@H]2CN1C(=O)C(=O)[C@H](C)Nc1cccnc1)C(=O)N[C@H](C=O)C(C)(C)C,0.24, 0.29028506123431635),1168,TRUE
CC(N)(/C=C/C=O)Oc1nc2cccc(C(Oc3cncc(Cl)c3)[C@@H](N)CC=O)c2c2ccccc12,0.24, 0.14150229042425833),1182,TRUE
CC(C)[C@H](NC(=O)C(=O)[C@H](C)N)[C@@H](O)C(Oc1nc2ccccc2c2cccc(C[C@H](N)C[C@H](O)[C@H](C)N)c12)[C@@H](C)C(N)=O,0.24, 0.09375006415093269),1196,TRUE
N[C@@H](Cc1cc(Nc2nc3ccccc3[nH]2)c2cc[nH]c2c1)C(=O)C=O,0.24, 0.315626320945757),1203,TRUE
CC(N)(/C=C/C=O)NS(=O)(=O)c1cccc(OC(C)(C)C(=O)Nc2cc(Nc3ccc(N)cc3)c(F)cc2Cl)n1,0.24, 0.0962847385813303),1245,TRUE
C#CC(c1ccc(F)cc1Cl)[C@@H](C=O)NC(=O)/C=C/C(C)(N)Oc1cnccc1-c1cc(O)c2c(=O)c(O)coc2c1,0.24, 0.09807154269684645),1252,TRUE
C[C@@H](/C=C/C=O)NC(C)(N)/C=C/C(=O)Oc1nc2c(N[C@H](C=O)CCC=O)cccc2c2c(N3CCCC3)cccc12,0.24, 0.08588243959983353),1259,TRUE
CC(/C=C/C=O)NC(=O)/C=C/c1ccc2c(c1N[C@H](C=O)CC(N)=O)OC(c1ccc3[nH]cnc3c1)O2,0.24, 0.22820728583768496),1266,TRUE
CC(Cc1ccc2cc[nH]c2c1)[C@H](N)C(=O)N[C@@H](C)C(=O)C(=O)N[C@@H](CCC=O)C(=O)CF,0.24, 0.25576643047160047),1273,TRUE
C[C@H](N)C(=O)C(=O)N1C[C@H]2CCC([C@@H]3C[C@@H]4CCC(O)C[C@@H]4CN3)C[C@@H]2C[C@H]1C[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0.24, 0.2566613503242228),1287,TRUE
Cc1ccc(N(C(=O)[C@H](C)C(NC2(O[C@H]3CCOC3)CC2)C(=O)[C@@H](N)C(C)C)[C@@H](C)C(=O)C=O)nn1,0.24, 0.22346576645315389),1308,TRUE
CC[C@@H](C=O)NC(=O)[C@H](C)Nc1ccc2c(OC3CC(O[Na])C(C(C)(N)/C=C/C=O)C3)nc3ccccc3c2c1,0.24, 0.13437661353311686),1315,TRUE
CC(N)(/C=C/C=O)N[C@H](C=O)[C@@H](O)CC1CC(Oc2nc3cccc(O[C@H]4CCOC4)c3c3ccccc23)OC1=O,0.24, 0.09742803400403477),1322,TRUE
C[C@H](Nc1c(F)cc(Nc2ccc(C(=N)N)cc2)c(C(C)(N)/C=C/C=O)c1Cl)C(=O)c1nccs1,0.24, 0.08741059852025684),1343,TRUE
CCCCc1ccc2c(c1)nc(Oc1ccnc(-c3nc(C)cs3)c1C(C)(N)/C=C/C=O)c1ccccc12,0.24, 0.1242498948492069),1357,TRUE
CNC1C(NS(=O)(=O)c2ccc(N)cc2)OC[C@H]1OC(C)(/C=C/C=O)Nc1cccc([N+](=O)[O-])c1,0.24, 0.08713037856131645),1378,TRUE
CC(=O)NC(C)(/C=C/C=O)C1CCCC(Oc2nc3cccc(C[C@@H](N)CC=O)c3c3ccccc23)C1,0.24, 0.24144923014630224),1385,TRUE
CC(/C=C/C=O)N(C(=O)/C=C/c1ccc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c1)[C@@H]1OC1N[C@H](C=O)[C@H](C)O,0.24, 0.11369101467864606),1399,TRUE
C[C@H](NCC(C)(C)NS(=O)(=O)c1cc(CC(N)C(=O)C(N)=O)c(Nc2ccc(C(=N)N)cc2)cn1)C(=O)C=O,0.24, 0.059119777863222575),1406,TRUE
CC[C@H](N)C(=O)N[C@@H](CCC(=O)N(C(=O)c1cc2cc(Cl)ccc2[nH]1)[C@@H](C)C(=O)C=O)C(=O)CF,0.24, 0.2889605681087515),1413,TRUE
CC(=O)C(=O)C(Nc1cccc2c1c(OC(=O)C(=O)[C@H](C)N[C@@H](C)C=O)nc1cc([C@@H]3C[C@H]4CCCC[C@@H]4CN3)ccc12)[C@@H](C)O,0.24, 0.10008332257214513),1420,TRUE
C[C@@H](OC(CCN)C[C@@H](C=O)N(C(=O)c1cccs1)C(OC(C)(N)/C=C/C=O)C(N)=O)[C@H](N)C=O,0.24, 0.11436139769694706),1427,TRUE
C[C@@H](OC(C)(N)/C=C/C=O)[C@@H](C=O)N(C(=O)c1cnccn1)C(Cc1ccccc1)c1ccc(C=O)s1,0.24, 0.20643543073484058),1434,TRUE
CCCC1=C(O)OC(C2CC(c3ccco3)OC2=O)(C(C)(N)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)CC1=O,0.24, 0.14585039971814515),1448,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccc(NC3CCCCC3Oc3cncc(Cl)c3)cc2c2ccccc12,0.24, 0.12721544654250788),1455,TRUE
C[C@H](NC(=O)CC[C@H](N)C(=O)C(F)(c1ccc(O)c(Cl)c1Cl)c1nc[nH]c1N)C(=O)C(=O)Nc1ccccc1Cl,0.24, 0.17736759737819835),1469,TRUE
N[C@@H](Cc1ccc(Cl)cc1)C(=O)C=O,0.24, 0.5966849636893404),1476,TRUE
N[C@@H](Cc1coc2cc(O)cc(O)c2c1=O)C(=O)C(=O)Oc1nc2ccccc2c2cc(Oc3ccc(O)cc3)ccc12,0.24, 0.1192747390302631),1483,TRUE
N[C@@H](Cc1cccc(O)c1)C(=O)C(=O)Oc1nc2cc(NC3CCCC(Oc4ccc(O)cc4)C3)ccc2c2ccccc12,0.24, 0.09714892111394524),1497,TRUE
N[C@@H](Cc1c(O)c(Cl)cc(Cl)c1Cl)C(=O)C(=O)Oc1nc2c(N3CCOCC3)cccc2c2ccccc12,0.24, 0.14411680032039378),1504,TRUE
N[C@@H](Cc1ccc(C(=O)Oc2nc3ccccc3c3c(-c4cccc(Cl)c4Cl)cccc23)s1)C(=O)C=O,0.24, 0.111064283349418),1518,TRUE
C[C@H](NC(=O)C(N)CC(C(=O)O)c1ccoc(=O)c1-c1cc(B(O)O)cc([N+](=O)[O-])c1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.030893028245292196),1525,TRUE
CC(=O)N1CCN(Cc2ccc(Cl)cc2)C(CN2C(=O)C(=O)c3cc(C#N)ccc32)[C@H]1C(C)(N)/C=C/C=O,0.24, 0.3283941427696971),1532,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2cc(CC(N)C(=O)C(F)(F)F)ccc12)Oc1cncc(Cl)c1,0.24, 0.1382334958097121),1539,TRUE
CC(=O)Nc1cc(/C=C/C(=O)N[C@@H](C)C(=O)C=O)cc(C[C@H](NC(=O)[C@H](N)CO)C(=O)c2nccs2)c1,0.24, 0.09930332827542157),1546,TRUE
C=C(CC)C(=O)c1ccc2c(c1)nc(Oc1cc(C(C)(N)/C=C/C=O)cc3nc(C)n(C)c13)c1ccccc12,0.24, 0.10960420452645138),1553,TRUE
CNc1sc(-c2ccc(NS(=O)(=O)C3CC3)c(C(C)(N)/C=C/C=O)c2)nc1Cc1ccc(Cl)cc1,0.24, 0.2528102678584667),1560,TRUE
CCC(C)(C)NC(C)(/C=C/C(=O)N[C@@H](C)C(=O)NN(C=O)CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)(C)C)[C@@H](C)O,0.24, 0.040973628722350275),1567,TRUE
CC(N)(/C=C/C=O)c1cc(O)c(O)c(O)c1Oc1nc2c(OP(=O)(O)O)cccc2c2ccccc12,0.24, 0.0695104738788121),1574,TRUE
C[C@H](N)C(=O)C(=O)N[C@H]1c2cccc(-c3cc(-n4[nH]c(=O)c5cccc(-c6cccc(Cl)c6)c5c4=O)no3)c2C[C@H]1O,0.24, 0.2200311765665132),1581,TRUE
Cc1ccc(-c2sc(CC(/C=C/C=O)(NCCC(=O)O)N3C[C@H]4CCCC[C@@H]4C[C@H]3C)nc2C)nn1,0.24, 0.3613509449420473),1588,TRUE
CC(N)(/C=C/C(=O)OP(=O)(O)O)Nc1nc2ccc(Oc3nc4ccccc4c4ccccc34)cc2[nH]1,0.24, 0.09010327361770591),1595,TRUE
C[C@H]1O[C@@H](c2c(C[C@H](N)C(=O)C=O)c(=O)c3c(O)c(C(F)(F)F)c(O)cc3o2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.2304496083621162),1602,TRUE
CC(C)(C)[C@@H](C=O)NC1(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](N)[C@@H]1C(C)(N)/C=C/C=O,0.24, 0.1295137129103091),1609,TRUE
CC(/C=C/C=O)NC(=O)c1[nH]c2c(C[C@H](N)C(=O)NN(C=O)CCC(N)=O)cc(Cl)cc2c1-n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.06576770816744602),1623,TRUE
CCC(C)(C)NC(=O)C(=O)[C@H](C[C@H]1CN1)NC(=O)[C@@H](N)C(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.177536090314829),1630,TRUE
COc1ccc2c(c(-c3cc(C)c(C[C@H](N)C(=O)C=O)c(C)c3)nc3ccccc32)c1-c1csc(C)n1,0.24, 0.1705131149244363),1637,TRUE
C[C@H](NC(=O)/C=C/[C@@H](N)Cc1ccc([C@H]2COC(=O)C2)cc1)C(=O)C=O,0.24, 0.3010478546956476),1651,TRUE
CCc1c(F)c(F)cc(F)c1CC[C@H](NC(CC)CN[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)C(=O)O,0.24, 0.07660727948665057),1658,TRUE
CC(N)(/C=C/C(=O)N(C(=O)c1cc2cc(F)ccc2[nH]1)C1CC1)Oc1nc2ccc(-c3ccccc3)cc2c2ccccc12,0.24, 0.11825573731957352),1665,TRUE
CC(=O)[C@H](C)NC(CCN)C[C@H](NC(=O)C(=O)[C@H](C)NCC(C)C)C(=O)N[C@@H](C)C(=O)NN(C=O)CCC(N)=O,0.24, 0.04256087360941731),1672,TRUE
C=C(CC)C(=O)c1cc(CN(CCCC)C(C)(/C=C/C(=O)N(C)C)c2nc(S)[nH]c(=O)c2C#N)ccc1Cl,0.24, 0.16683780099958045),1679,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)C(=O)[C@@H](N)C(c1cc([N+](=O)[O-])ccc1CN1C(=O)C(=O)c2cc(F)ccc21)[C@H]1NC[C@H]2[C@@H]1C2(C)C,0.24, 0.24372633373206304),1686,TRUE
[H]Nc1cc(S(=O)(=O)Nc2cc(Cc3ccc(C[C@H](N)C(=O)C=O)cc3)n(C)n2)ccc1N,0.24, 0.20556566870860937),1693,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2c2cccc(CC(=O)c3ccco3)c12,0.24, 0.07745823226912127),1700,TRUE
C[C@H]1O[C@@H](Oc2cc(Cl)cc(CN[C@@H](Cc3cccc(/C=C/C=O)c3)C(=O)C=O)c2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.1964658741458226),1721,TRUE
CC(/C=C/C=O)NCC(c1ccc([C@H]2NCC3CCCC(c4ccc(N)cc4)C3C2C(=O)N(CCC(N)=O)NC(=O)[C@H](C)N)s1)[C@H](C)N,0.24, 0.06724657511765245),1728,TRUE
C[C@H](N)C(=O)C(=O)O[C@H]1CC(Oc2nc3c(CC4C(=O)OC[C@@H]4C)cccc3c3ccccc23)OC1c1ccc(N)cc1,0.24, 0.13458867206777683),1735,TRUE
Cc1cc(O)cc(C(C)N(C(=O)[C@@H](N)[C@H](O)Cc2ccc(O)c(O)c2)[C@H](C=O)CC(N)=O)c1C[C@H](N)C(=O)C=O,0.24, 0.08422246230941396),1742,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)Oc1ccc(O)c(Oc2cccc(C3CC4CCCCC4CN3)c2)c1,0.24, 0.06857599816991107),1749,TRUE
CCCC[C@@H](C=O)NC(C(C=O)C1CCCCC1)[C@H](NC(=O)/C=C/C(C)(N)OP(=O)(O)O)C(C)=O,0.24, 0.08695667432261397),1756,TRUE
Nc1ccc(Nc2cc(Cl)ccc2-c2c3c(cn2Cc2ccsc2CC(N)/C=C/C=O)C(=O)C=CC3=O)cc1,0.24, 0.13597742644045485),1763,TRUE
CC[C@H](N)C(=O)N(C(=O)/C=C/c1ccc2c(c1)OCO2)C(C)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.1888381219639555),1770,TRUE
CC(N)(/C=C/C(=O)Oc1nc2cc(-c3ccccc3/C=C/C=O)ccc2c2ccccc12)Oc1ccc(O)cc1,0.24, 0.08089777968045922),1777,TRUE
CCC1(c2c[nH]cn2)CCN(c2ccc(-c3ccc(Cl)cc3)cc2OC(=O)/C=C/C(C)(N)N[C@@H](C)C=O)C1,0.24, 0.11421698813877515),1784,TRUE
O=Cc1ccc(COC(=O)C(=O)[C@H](Cc2cccc(Cl)c2Cl)NCc2ccc(Cl)cc2)o1,0.24, 0.24067774724725113),1791,TRUE
C[C@H](NC(=O)[C@@H](N)[C@H](O)Cc1nc(S)[nH]c(=O)c1C#N)C(=O)C(=O)N(c1ccccc1Cl)[C@H](C=O)[C@H](C)O,0.24, 0.08336389128104373),1798,TRUE
C[C@H]1O[C@@H](Oc2ccc(C[C@H]3C(Oc4nc5ccccc5c5ccccc45)OC(=O)C3C(C)(N)/C=C/C=O)nn2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.09014575069446876),1805,TRUE
C[C@H]1O[C@@H](CC(=O)NC(C)(/C=C/C(=O)Oc2cncc(Br)c2)N2CCOCC2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.2669249973944783),1812,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)n1cc2c(c1-c1ccno1)C(=O)C=CC2=O,0.24, 0.2092145773179129),1819,TRUE
CC(C)c1c(O)cc2oc(C(N)(/C=C/C=O)Cc3ccccc3N=Cc3ncoc3O)c(O)c(=O)c2c1O,0.24, 0.1303423877643692),1826,TRUE
C[C@H](N)C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)O,0.24, 0.13975091483518776),1833,TRUE
CC(/C=C/C=O)NC(=O)C(Cc1ccccc1/C=C/C=O)C1(C(C[C@H](N)C(=O)O)N[C@H](C=O)[C@@H](C)O)C(=O)OC[C@@H]1C,0.24, 0.09496229834169864),1840,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cccc(C[C@H](N)C(=O)NN(C=O)CCC(N)=O)c12,0.24, 0.08862577869089697),1847,TRUE
CNc1ccc2C[C@@H](O)[C@@H](NC(=O)C(=O)[C@H](C)NC[C@@H](O)[C@H](C)N)c2c1,0.24, 0.32750986978951024),1854,TRUE
CC(N)(/C=C/C=O)N[C@@H](Cc1cccc(O)c1)C(=O)c1nc(Oc2nc3ccccc3c3ccccc23)cs1,0.24, 0.07319214612885155),1861,TRUE
C[C@H]1O[C@@H](c2cccc(N=Cc3ncoc3OC(=O)/C=C/C(C)(N)c3ccc(O)c(Cl)c3Cl)c2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.15515515599311336),1875,TRUE
CC(N)(/C=C/C=O)Nc1nccc(Oc2nc3ccccc3c3ccccc23)c1-c1ccc(Cl)cc1Cl,0.24, 0.09890587151478213),1882,TRUE
CC(=O)n1c(Cc2ccc3c(c2)OCO3)cc2cc(-c3c(C(C)(N)/C=C/C=O)oc4cc(O)cc(O)c4c3=O)cc([C@H]3CO3)c21,0.24, 0.13258915438917027),1889,TRUE
CC(C)(C)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)OCc1cc(O)c(O)c(O)c1,0.24, 0.08847107374968555),1896,TRUE
CC[C@@H](N)Cc1noc(C(C)(N)/C=C/C=O)c1C(N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)N)N1C(=O)C(=O)c2cc(F)ccc21,0.24, 0.11135049022775413),1903,TRUE
CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1occc1-c1cc2ccccc2s1)C(=O)C(=O)NC1CCCCC1,0.24, 0.34622825647445216),1910,TRUE
Nc1ccc(NC(=O)/C=C/C(Cc2cccc(N(c3ccccc3)c3ccccc3O)c2)NC(=O)[C@@H](N)CO)cc1,0.24, 0.12169784310853073),1917,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2cccc(CC3CCOC3=O)c12)NC(=O)c1nc2ccccc2[nH]1,0.24, 0.17699014666500315),1924,TRUE
CC[C@H](NC(=O)N(CCC(N)=O)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)C(=O)[C@H](C)N)C(=O)O,0.24, 0.1513461848986859),1931,TRUE
[H]c1cc2nc(C[C@H](N)C(=O)C(=O)Oc3nc4ccccc4c4cccc([C@@H](C)CC)c34)nc-2c[nH]1,0.24, 0.2090991265700247),1938,TRUE
CCC(C)(C)NC(C(=O)Nc1ccc(C(=N)N)cc1)C(N[C@@H](C)C(=O)C=O)[C@@H](C=O)NC(=O)C(=O)[C@H](C)N,0.24, 0.05812922908776681),1945,TRUE
C[C@@H](O)[C@H](N)C(=O)[C@@H](CO)C(=O)NC(/C=C/C=O)Cc1cc(NCc2nc3ccn(C)cc-3n2)cc(-c2ccc(Br)cc2)c1,0.24, 0.0772814034995965),1952,TRUE
CC1(c2ccc3cc[nH]c3c2)CCN(C(N)CCC[C@@H](C=O)NC(c2cccs2)C(N)(/C=C/C=O)[C@@H]2CNCCN2)CC1,0.24, 0.12175962751860649),1959,TRUE
NC(=O)C(=O)C(Cc1cccc(Nc2c(F)cc(F)cc2F)c1)NC[C@H](N)C(=O)C=O,0.24, 0.296507063719768),1966,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cccc(O)c1,0.24, 0.5218834151112075),1973,TRUE
C[C@H]1O[C@H](Nc2ccc(S(=O)(=O)NC(C)(/C=C/C=O)NCc3csc(NC=O)n3)cc2)C[C@H]2CCCC[C@@H]21,0.24, 0.1751895779713097),1980,TRUE
N[C@@H](Cc1cccc(Cl)c1)C(=O)C=O,0.24, 0.5966849636893404),1987,TRUE
C[C@@H](/C=C/C=O)N(C(=O)C(Cl)=C(Cl)Cl)C(N)(/C=C/C=O)C(Oc1nc2ccccc2c2ccccc12)C1C(=O)OC[C@@H]1C,0.24, 0.09904084032936254),1994,TRUE
CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)C(=O)Nc1c(Cl)cccc1Oc1nc2ccccc2c2ccccc12,0.24, 0.22661426628524256),2001,TRUE
C[C@H](N[C@@H]1C[C@H]2CCCC(Nc3cc(C4(N)CC4Oc4nc5ccccc5c5ccccc45)ccc3Cl)[C@@H]2[C@@H](C)O1)C(=O)C=O,0.24, 0.11555181134961395),2008,TRUE
CC(=O)[C@@H](N)Cc1c(CN2C(=O)C(=O)c3cc(C#N)ccc32)cccc1Sc1cc(C[C@H](N)C(=O)C=O)cc2ccn(C(C)=O)c12,0.24, 0.183125787215338),2015,TRUE
CC[C@@H](C)[C@H](N)C(=O)N(C(=O)[C@H](N)CC(C)C)[C@@H](C)C(=O)C(=O)Oc1ccc(O)c(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.08509759748613058),2022,TRUE
Cc1cnc(C(=O)NC(C)/C=C/C(=O)Oc2nc3ccc(C[C@H](N)/C=C/C=O)cc3c3ccccc23)cn1,0.24, 0.1515983152007427),2029,TRUE
C[C@H](C[C@H](O)[C@@H](N)C(C)(C)c1ccc(-c2ccc(N)cc2)cc1Cl)C(=O)N[C@@H](CC1CC1)C(=O)C=O,0.24, 0.19425238188641422),2036,TRUE
CC(N)(/C=C/C=O)[C@@H]1NC1(NCc1cc(F)c(F)cc1F)c1cccc2ccc(Oc3nc4ccccc4c4ccccc34)cc12,0.24, 0.0524095119648848),2043,TRUE
O=C/C=C/C(C[C@H]1CO1)(NCc1ccccc1)C1CC(Sc2ccccc2O[C@H]2CCOC2)OC1=O,0.24, 0.19954496142217035),2050,TRUE
C=C(CC)C(=O)C1CC(C[C@H](NC(=O)c2cc3cc(F)cc(C[C@H](N)C=O)c3[nH]2)C(=O)C=O)C1,0.24, 0.24738499216891394),2057,TRUE
Cc1cc(N[C@@H](C=O)CC(C)C)cc(OC(=O)/C=C/C(C)(N)Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.06783061195023102),2064,TRUE
Cc1cccc2c(OC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)[C@@H](N)C(C)C)cc(-c3cscn3)nc12,0.24, 0.31277387699667397),2078,TRUE
C[C@H](O)[C@@H](C=O)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N[C@@H]1C[C@H]1NCc1ccc(Cl)cc1,0.24, 0.06542659151947819),2085,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(Nc3ccc(-c4ccccc4)cc3)cc(Cn3ccc4ncnc-4c3)c2c2ccccc12,0.24, 0.11858222489287122),2092,TRUE
CSc1cc(CC(N)/C=C/C=O)ccc1NC(=O)/C=C/c1cccc(-c2cc(NC(C)=O)n(C)n2)c1,0.24, 0.2182304209965745),2099,TRUE
O=CC(=O)[C@H](Cc1cc(C(=O)O)ccc1Cl)N[C@@H]1C[C@H]2CCCC[C@@H]2CN1,0.24, 0.486950646239902),2106,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccc(-c3oc(C=O)cc3CC3(c4nc5ccccc5c5ccccc45)C(=O)OC[C@@H]3C)cc2c2ccccc12,0.24, 0.07460853723935382),2113,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccc(Oc3cccc(Cl)c3Cl)cc2c2cccc(Nc3cc(Cl)cc(Cl)c3)c12,0.24, 0.10777461707179),2120,TRUE
N[C@@H](Cc1cc2c(cc1N1CCC3CCCC(c4oc5cccc(O)c5c(=O)c4O)C3C1)OCO2)C(=O)C=O,0.24, 0.31776882452847627),2127,TRUE
Cc1cccc(-c2c(CC3CCOC3=O)nnn2-c2ccccc2SC(C)(/C=C/C=O)NCc2cccc(C#N)c2)c1,0.24, 0.08098186164506094),2134,TRUE
C[C@H](NC(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O)C(=O)C(=O)Oc1nc2ccc(OC(C)(C)C)cc2c2ccccc12,0.24, 0.12745695194575674),2141,TRUE
C[C@@H](O)[C@@H](C=O)Nc1c(O)cc2oc(CC(N)/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)c(O)c(=O)c2c1O,0.24, 0.048543308698924696),2148,TRUE
C[C@H](N[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C(=O)OC(C)(Cc1cc([C@H](N)C=O)c(C(=O)C(N)F)o1)C(N)=O,0.24, 0.04431489475483491),2155,TRUE
CC(Cc1cc(Nc2ccc(N)cc2)cc2c(OC(C)(/C=C/C=O)N[C@H]3CN3)nc3ccccc3c12)NC1CCCC1,0.24, 0.03792935357980749),2162,TRUE
O=C(OP(=O)(O)O)C(=O)[C@H](Cc1ccc(O)cc1)N[C@@H]1OC1Oc1nc2ccccc2c2ccccc12,0.24, 0.10990801136428412),2197,TRUE
COc1cccc2c1nc(OC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)c1ccccc12,0.24, 0.1869720308743389),2204,TRUE
Cc1csc(SCc2ccccc2N)c1C(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.07839560443398313),2211,TRUE
NC(=O)CC[C@H](NC(=O)/C=C/C(N)(Cc1c(F)cc(F)cc1F)c1cc(B(O)O)cc([N+](=O)[O-])c1)C(=O)C(F)(F)F,0.24, 0.0775152669046223),2218,TRUE
NC(=O)CC[C@H](Nc1ccc2nc(OC(=O)C(=O)[C@@H](N)Cc3cc(B(O)O)cc([N+](=O)[O-])c3)c3ccccc3c2c1)C(=O)C(F)(F)F,0.24, 0.03411264704295663),2225,TRUE
Nc1cc(C(OCC=O)[C@H](N)C(=O)C(=O)Oc2nc3ccc(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)cc3c3ccccc23)cc(O)c1O,0.24, 0.028191914855632817),2232,TRUE
Cc1cccc(C[C@H](N)C(=O)C(=O)N[C@H](C=O)CCCCNc2ccc3cccc(C)c3n2)c1,0.24, 0.21716268865945937),2239,TRUE
CC(C)C[C@H](C(=O)[C@@H](N)[C@@H](C)O)C(=O)N(c1c[nH]cn1)[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.10822849789860679),2246,TRUE
N[C@@H](CC1CCOC1=O)C(=O)C=O,0.24, 0.3458806153219315),2260,TRUE
CC(C)C[C@@H](C=O)C(=O)[C@@H](NC(c1ncc(Br)cc1CC(N)/C=C/C=O)C1C(=O)OC[C@@H]1C)[C@@H](C)O,0.24, 0.1332311619046272),2267,TRUE
CC(C)C[C@H](C=O)Nc1ccc2nc(OC3CCN(C(C)(N)/C=C/C=O)C(=O)N3)c3ccccc3c2c1,0.24, 0.21708221015865237),2281,TRUE
CC(/C=C/C(=O)Nc1ccc(Cl)cc1)NCc1cccc(Cl)c1C1CC1Oc1nc2ccccc2c2ccccc12,0.24, 0.13560674694445704),2288,TRUE
CCc1cccc(Oc2cccc3c2nc(OC(C)(N)/C=C/C(=O)Oc2ccccc2)c2ccccc23)c1,0.24, 0.08086330845435394),2295,TRUE
N#Cc1cccc(C(CC=O)[C@H](NC(c2cc(B(O)O)cc([N+](=O)[O-])c2)[C@H](N)C(=O)C=O)C(=O)CF)c1,0.24, 0.08043565511233225),2302,TRUE
N#Cc1ccc2c(c1)C(=O)C(=O)N2CC1CNCCN1c1cccc(C[C@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)C(=O)C=O)c1,0.24, 0.19480179379750556),2323,TRUE
CC(c1cc(C#N)cc(Nc2ccccc2Cl)c1)[C@H](N[C@@H](C)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C)C(=O)O,0.24, 0.4221770199045649),2330,TRUE
CNC1CCC[C@@H]2CN[C@H](N[C@@H](Cc3ccc(NC(=O)CC[C@H](N)C(=O)CF)cc3)C(=O)C(=O)N3C[C@H]4[C@@H](C3)C4(C)C)C[C@H]12,0.24, 0.2121337321680714),2337,TRUE
N[C@@H](Cc1oc2cc(O)c(N3CCC4CCCCC4C3)c(O)c2c(=O)c1-c1cc(O)c(O)c(O)c1)C(=O)C=O,0.24, 0.15335203912677126),2344,TRUE
N[C@@H](Cc1c(Cl)cccc1-c1ccc(F)cc1C(=O)/C=C(\O)C(=O)O)C(=O)C=O,0.24, 0.19652101470316488),2351,TRUE
Cc1cccc2c(OC(=O)C(=O)[C@H](C)N)cc(NC(C)C(=O)Oc3nc4ccccc4c4ccccc34)nc12,0.24, 0.1803243166269044),2358,TRUE
CC(=O)[C@H](C)NC(=O)/C=C/C(C)(N)Nc1c(Cl)cc([N+](=O)[O-])cc1-c1cn(C)cc1Nc1ccc(C(=N)N)cc1,0.24, 0.04994752204276755),2365,TRUE
N[C@@H](Cc1ccccc1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.3305838326674736),2372,TRUE
C[C@H](N)C(=O)NN(CCC(=O)Nc1c[nH]cn1)C(=O)c1cc(C[C@H](N)C(=O)C(N)=O)ccc1Br,0.24, 0.16172437409635418),2386,TRUE
CC(C)OC(=O)[C@H](CCCC(N)=O)NC(=O)/C=C/C(C)(N)O[C@H](C)[C@H](N[C@@H]1C[C@H]1N)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.06566956255501236),2407,TRUE
CCCC[C@H](NC(=O)/C=C/C(C)N(C(=O)CCCCCN)C(=O)c1cc2c(O)cccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,0.24, 0.06012671480011104),2414,TRUE
CC(/C=C/C=O)NC(c1cncc(Oc2nc3ccccc3c3ccccc23)c1)c1cc2ccccc2s1,0.24, 0.1283608241868584),2421,TRUE
CC[C@H](NC(CC(=O)O)Cc1c(F)c(F)cc(F)c1C[C@H](N)C(=O)C=O)C(=O)N[C@@H](C)C=O,0.24, 0.16965095277878406),2428,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1nc2ccc(C(C)Cc3ccc4[nH]c(C=O)cc4c3)cc2c2ccccc12,0.24, 0.1492366112259528),2435,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2cccc(Nc3ccccc3Cl)c12)c1ccccc1/C=C/C=O,0.24, 0.09133666858042563),2442,TRUE
CC(C)CC(=O)N1C[C@H]2CC(Oc3nc4ccccc4c4ccccc34)CC([C@@H]3CC4CCCCC4C(C4CC4)N3)[C@H]2C[C@H]1C(C)(N)/C=C/C=O,0.24, 0.1349516585232536),2449,TRUE
CCC(C1=C(O)OC(C[C@H](N)C(=O)C(=O)OC(N)C(N)=O)CC1=O)N1C[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.19820459120539966),2456,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NCc1cccnc1)NC(C=O)CCC(=O)O,0.24, 0.08533855566388591),2463,TRUE
N[C@@H](CCNC(/C=C/C=O)Cc1cc(O)c(O)c(O)c1)C(=O)O[C@H]1CO[C@H]2OCC(Nc3ccc([N+](=O)[O-])cc3Cl)[C@@H]12,0.24, 0.04786016497951657),2470,TRUE
NC(/C=C/C=O)Cn1cc2c(c1Nc1cc(Oc3nc4ccccc4c4ccccc34)ccn1)C(=O)C=CC2=O,0.24, 0.16063838670428954),2477,TRUE
C=C(C(=O)c1cccc(C[C@H](N)C(=O)C=O)c1)C(C)(O)c1ccc(N)cc1,0.24, 0.21409230123081158),2484,TRUE
N[C@@H](Cc1ccc(F)cc1)C(=O)C=O,0.24, 0.5606098895947274),2491,TRUE
C[C@H](N)C(=O)C(=O)NC1([C@H]2CO2)CCC(Oc2nc3ccccc3c3ccccc23)CC1,0.24, 0.35169752934054926),2498,TRUE
CC(/C=C/C(=O)N[C@@H](C)C(CC(=O)N[C@H](C=O)CC(N)=O)Oc1nc2ccccc2c2ccccc12)NCC=O,0.24, 0.12542148226452574),2505,TRUE
[H]NC(=O)C(=O)[C@@H](N)Cc1c(O)[nH]c2ccccc12,0.24, 0.5584667992493111),2512,TRUE
N[C@@H](Cn1ccc2ncnc-2c1)C(=O)C(=O)Oc1nc2ccccc2c2cccc(Nc3nc4ccccc4[nH]3)c12,0.24, 0.1526628242989963),2519,TRUE
N#Cc1ccc2c(c1)C(=O)C(=O)N2CC1N[C@H](C[C@H](N)C(=O)C=O)C[C@@H]2C(C(F)(F)C(=O)c3occc3-c3ccc4[nH]ccc4c3)CCC[C@H]12,0.24, 0.12258258858566755),2526,TRUE
CC(N)(/C=C/C(=O)Nc1cc(Cl)cc(Cl)c1OCc1coc2cc(O)cc(O)c2c1=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.0765061335498686),2533,TRUE
CC(=O)n1ccc2cc(Cc3nc(C4CN(C(=O)/C=C/C(C)N)CCN4)cs3)cc(-c3ccc4[nH]ccc4c3)c21,0.24, 0.260473994575004),2540,TRUE
N[C@@H](Cc1cc(O)c(O)c(O)c1-c1cc(=O)c2c(O)cc(O)cc2o1)C(=O)C=O,0.24, 0.20057974671583814),2547,TRUE
CC(=O)C(=O)C(NC(CC=O)C1CC(N[C@@H](C)C(=O)c2nccs2)[C@@H]2[C@@H](C[C@H](N)C(=O)C=O)NC(C(F)F)[C@H]12)[C@@H](C)O,0.24, 0.08568027498254274),2561,TRUE
CC(Cc1cc(C(CCC(=O)O)Oc2nc3ccccc3c3ccccc23)cc2ccccc12)OC(C)(N)/C=C/C=O,0.24, 0.07358381914098808),2568,TRUE
CCc1c(NC(C)C(C)O)ccc2nc(OC(=O)/C=C/C(C)(N)NC(C)(C)C)c3ccc(OC)cc3c12,0.24, 0.14257814416750347),2575,TRUE
[H]C(=O)C(=O)[C@H](C)N[C@@H]1C[C@@H]2CCCC[C@@H]2CN1,0.24, 0.5631595038153203),2582,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2cccc(NS(=O)(=O)C3CC3)c12)Cc1ccc2c(c1)OCO2,0.24, 0.19788070652833417),2589,TRUE
Cc1nc2cc(-c3ccc4c(c(OC(=O)/C=C/C(C)NC(=O)CN)nc5ccccc54)c3C[C@@H](C=O)C[C@@H](C)O)ccc2n1C,0.24, 0.08708303206574679),2596,TRUE
CC(=O)[C@@H](N)CCC(=O)N[C@@H](CCc1ccc2[nH]ccc2c1)C(=O)N[C@@H](C)C(=O)C=O,0.24, 0.2862916793290078),2610,TRUE
CC(Cc1cc(O)c(O)cc1Oc1nc2ccccc2c2ccccc12)Oc1c(O)cc2oc(C(C)(N)/C=C/C=O)cc(=O)c2c1O,0.24, 0.05396066643558547),2617,TRUE
CC(/C=C/C=O)(NC(=O)c1ccc(Cl)o1)NC1CCCC(n2ccnn2)C1c1nnc(S)n1-c1ccccc1,0.24, 0.12067777527794105),2624,TRUE
CCC(N)C1=C(O)OC(C(=O)/C=C(\O)C(=O)O)(c2cccc(C[C@H](N)C(=O)C=O)c2)CC1=O,0.24, 0.1369356445202989),2638,TRUE
COC(C)C[C@H](NC(=O)C(=O)[C@H](C)NC(=O)/C=C/C(C)(N)NC(C)(C)C)C(=O)C=O,0.24, 0.138853258868682),2645,TRUE
C#CC[C@H](N)C(=O)N(C(c1c(C)noc1C)[C@H](N)C(=O)C=O)S(=O)(=O)C1CC1,0.24, 0.29768464271877915),2652,TRUE
CC(/C=C/C=O)N(C(=O)Cc1ccc2[nH]cnc2c1)C(=O)Cc1cccc2[nH]c(C=O)c(-c3cc(O)c4c(=O)ccoc4c3)c12,0.24, 0.1592352108459136),2659,TRUE
Cc1nc(N(C(=O)c2nc3cc(Oc4nc5ccccc5c5ccccc45)ccc3[nH]2)C(C)/C=C/C=O)cs1,0.24, 0.14073528256551138),2666,TRUE
N[C@@H](Cc1c(-c2c(Cl)cc(F)cc2CC=O)[nH]c2cccc(-c3cccc(Cl)c3)c12)C(=O)C=O,0.24, 0.25442572240662853),2673,TRUE
COC(=O)C(=O)[C@@H](N)Cc1c(C)cccc1C,0.24, 0.6219410517494992),2680,TRUE
NC(=O)C(=O)C(N)C[C@@H]1C[C@H]2CCC(Oc3cccc(Cl)c3Cl)C[C@@H]2CN1,0.24, 0.6195066312101658),2687,TRUE
Cc1cc(-c2ccc(N)cc2)cc2c1c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.23403479502390984),2694,TRUE
CC(C)[C@@H](C=O)NC(C)(C)[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)C[C@@H](C)C(=O)N1C[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.2641878797295513),2715,TRUE
C[C@H](NC(O)(Oc1nc2ccccc2c2ccccc12)[C@@H](O)C([C@@H](C)C=O)N1C[C@H]2CCC[C@H]2C1)C(=O)C=O,0.24, 0.14730793335935538),2722,TRUE
CC(/C=C/C=O)NC(CC(N)(N[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C=O)OC(C)(C)C)c1cnc(C(=O)[C@H](C)N)s1,0.24, 0.0835496727405899),2729,TRUE
Cc1cc(-c2cc(C(C)(C)CC(=O)N[C@@H](C)C(=O)C=O)ccc2[N+](=O)[O-])ccc1C1CC1NC(C=O)CCC(=O)O,0.24, 0.12658454061343433),2743,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)Nc1ccc(N)cc1OCC(=O)Nc1ccc(N)cc1,0.24, 0.05560541992880783),2750,TRUE
Nc1cccc(-c2cc3cc(Cc4ccc(-c5c(F)c(F)cc(F)c5C[C@H](N)C(=O)C=O)nn4)ccc3[nH]2)c1,0.24, 0.11739636714329074),2757,TRUE
CC(/C=C/C(=O)Nc1ccc(-c2ccc(C3C(=O)OC[C@@H]3C)cc2)cc1Cc1cccnn1)NC(=O)[C@@H](N)CO,0.24, 0.2242153091149177),2764,TRUE
CSc1cc(C)c(N(C(=O)C(C)N)C(/C=C/C=O)Cc2cc(Oc3nc4ccccc4c4ccccc34)cs2)s1,0.24, 0.07942204761571806),2771,TRUE
CNC1CN(C(C)(/C=C/C(=O)Oc2nc3ccc(-c4ccccc4C)cc3c3ccccc23)NCc2cccnc2)CCO1,0.24, 0.13088683375071508),2778,TRUE
C[C@H]1O[C@@H](c2cccc3c(OC(C)(N)/C=C/C=O)nc4c(NC5CCCC5)cc(OP(=O)(O)O)cc4c23)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.06052129785368826),2785,TRUE
C[C@H]1COC(=O)C1(C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)c1cc(O)c(O)c(O)c1-c1ccno1,0.24, 0.09437494082494827),2792,TRUE
NC(=O)C(=O)[C@@H](N)Cc1cc(C2CCOC2=O)c(C(=O)CF)o1,0.24, 0.38617818413891586),2799,TRUE
Cc1cccc(OC(c2oc3cc(O)cc(O)c3c(=O)c2O)(C2CC2)[C@H](N)C(=O)C=O)c1,0.24, 0.3187003627527345),2806,TRUE
C#CC[C@H](N)C(=O)N(C(=O)C(C)CC1(N)CC1Oc1nc2ccccc2c2ccccc12)C(C)/C=C/C=O,0.24, 0.1848207269673247),2813,TRUE
Cc1noc(NC2CC(Oc3nc4ccccc4c4ccccc34)CC2NC(C=O)OC(C)(/C=C/C=O)NC[C@@H](O)[C@H](C)N)c1[N+](=O)[O-],0.24, 0.029142816881512008),2841,TRUE
CSc1c(C[C@H](N)C(=O)C(=O)Nc2ccc(C(=N)N)cc2)c(C)cs1,0.24, 0.25517619668047326),2848,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N[C@@H](CC(O[Na])C(=O)NC(=O)c1cc2c(O)cccc2[nH]1)C(=O)C(F)(F)F,0.24, 0.04523520647006948),2855,TRUE
CC[C@@H](C=O)N(C(=O)C(=O)[C@H](C)N)C(=O)c1cc2cc(Cl)ccc2[nH]1,0.24, 0.5984446853164255),2862,TRUE
C[C@H]1COC(=O)C1Cc1nc2cc(C[C@H](N)C(=O)C=O)c(C[C@H](N)C(=O)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2[nH]1,0.24, 0.05325487214594226),2869,TRUE
CC(/C=C/C=O)NCCCNc1cccc(Cl)c1-c1cc(=O)c2c(O)c(C[C@H](N)C[C@H](O)[C@H](C)N)c(O)cc2o1,0.24, 0.0859941849941846),2876,TRUE
CC(C=O)NC(C=O)N(C(=O)/C=C/c1ccc(Cl)cc1F)c1cccc2c(=O)n(Cn3ccc(CNC(C)/C=C/C=O)c3)[nH]c(=O)c12,0.24, 0.09974770788468104),2890,TRUE
CC(C)C[C@H](C(=O)[C@@H](N)[C@@H](C)O)C(=O)N(C(=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C(=O)C[C@@H](C)C=O)C(C)C,0.24, 0.12794405386376287),2904,TRUE
CC(C)C[C@H](Nc1cnc(O)c(OC(=O)C(=O)[C@H](C)N)c1Nc1ccccc1Cl)B(O)O,0.24, 0.17332143631849078),2911,TRUE
CC(N)(/C=C/C=O)Oc1cnc([C@@H]2CN(C(=O)c3ccc(Cl)o3)CCN2c2nccs2)c(Br)c1,0.24, 0.25869037095293834),2918,TRUE
C[C@H](N)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Nc1ccc(N)c(Oc2ccccc2)c1,0.24, 0.3015665139204375),2932,TRUE
N[C@@H](C[C@H]1NC[C@@H]2CCC(Oc3nc4c(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)cccc4c4ccccc34)[C@@H]21)C(=O)C=O,0.24, 0.13781855292545447),2939,TRUE
Nc1ccc(C[C@H](NC2CC3CCCC(c4ccccc4N)C3(C[C@H](N)CCC=O)CN2)C(=O)C=O)cc1,0.24, 0.16295369805380427),2946,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(C[C@H](N)CCC=O)cccc2c2ccccc12,0.24, 0.259585515401656),2960,TRUE
C[C@@H]1C[C@H]2CC(Oc3nc4ccccc4c4ccccc34)CC[C@@H]2CN1C(=O)/C=C/C(N)Cc1ccc(O)c(O)c1,0.24, 0.16093196485109953),2974,TRUE
C[C@H](NC(c1cccc(C#N)c1)c1c(O)c(=O)c2c(O)cc(O)cc2o1)C(=O)C(N)=O,0.24, 0.358949129343559),2981,TRUE
CC(/C=C/C=O)(Nc1nnc2n1CC(Oc1ccccc1-c1nc(S)[nH]c(=O)c1C#N)NC2)Oc1ccccc1,0.24, 0.07933845229159034),2988,TRUE
Cc1cc(C2(N)COC[C@H]2Oc2coc(=O)cc2C[C@H](N)C(=O)C=O)ccc1,0.24, 0.5095258910163966),2995,TRUE
CCCc1c[nH]c2cccc(-c3c(Cl)ccc(OCC=O)c3CN[C@@H](C)C(=O)C=O)c12,0.24, 0.34322604756070985),3002,TRUE
N[C@H](C(=O)C=O)C(Nc1ccc(-c2ccccc2)c(Nc2ccccc2)c1)c1ccccc1Cl,0.24, 0.20666510976185842),3009,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3ccccc3F)cc(N[C@H](C=O)[C@@H](C)O)cc12,0.24, 0.14858006631259052),3016,TRUE
CC(N)(/C=C/C=O)Oc1nc2cccc(CC=O)c2c2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc12,0.24, 0.10560661646147686),3023,TRUE
CC(C(=O)O[C@H]1CO[C@H]2OCC(c3ccc(N)cc3)[C@@H]12)N(C(=O)/C=C/C(C)(N)N[C@@H](C)/C=C/C=O)C(=O)C[C@H](O)C=O,0.24, 0.07890588593613228),3030,TRUE
Nc1ccc(S(=O)(=O)Nc2cncc(OC(=O)C(=O)[C@@H](N)Cc3nn[nH]c3Oc3nc4ccccc4c4ccccc34)c2)cc1,0.24, 0.07477261633855041),3044,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1c(F)cccc1[C@@H](CC)C1=C(O)OCCC1=O,0.24, 0.5732700230900696),3051,TRUE
CC[C@@H](C=O)N(c1ccccc1O)c1cc(C(C)=O)oc1C(N[C@@H](CCC=O)C(=O)CF)[C@H](N)C(=O)C=O,0.24, 0.1542942654871946),3058,TRUE
CC[C@H](C)c1c(NC(C=O)CCC(=O)O)ccc2c1nc(OC(=O)C(=O)[C@H](C)N[C@@H]1C[C@@H]3CCCC[C@@H]3CN1)c1ccccc12,0.24, 0.08606435212327887),3065,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccc(-c3cccc4ccccc34)cc2c2cc(-c3ccc(Cl)cc3)ccc12,0.24, 0.10204312867907905),3072,TRUE
CC(/C=C/C=O)NC(=O)/C=C/c1c(OCC=O)cc2c(c1C[C@@H](N)CC=O)OC(N[C@@H](C)[C@@H](C)O)O2,0.24, 0.1944236146152419),3079,TRUE
CCCC[C@H](NC(=O)C(=O)[C@@H](N)Cc1ccoc(=O)c1)C(=O)Nc1ccc(C(=N)N)cc1,0.24, 0.1928788791819211),3086,TRUE
CC(/C=C/C(=O)N[C@@H](C)C(=O)NN(C=O)CCC(=O)NC(=O)C(C)(C)Oc1nc2ccccc2c2ccccc12)NC(C)(C)C,0.24, 0.09854015225829106),3093,TRUE
Cc1nc(-c2ncsc2C(C)(/C=C/C=O)NC(=O)c2nc3ccc([C@@H]4C[C@H]4NC(=O)[C@@H](N)CO)cc3[nH]2)cs1,0.24, 0.14347404767785438),3114,TRUE
C[C@H](N)C(=O)C(=O)O[C@@H]1COC(Oc2nc3ccccc3c3c(CC=O)cccc23)C1,0.24, 0.2661365849080618),3135,TRUE
C[C@H](NC(=O)/C=C/C(C)(N)OC(C)(C)C)C(=O)Oc1nc2c(-n3ccc4ncnc-4c3)cccc2c2ccccc12,0.24, 0.13018556874662407),3142,TRUE
CC(=O)[C@H](CCC=O)NC(C)(C)C(OC(C)(/C=C/C=O)NCc1cccnc1)c1cc(B(O)O)cc([N+](=O)[O-])c1,0.24, 0.055250929347913785),3149,TRUE
Cc1c(-c2cnc(C(Oc3coc4cc(O)cc(O)c4c3=O)n3ccc4nc(C[C@H](N)C(=O)C(N)=O)nc-4c3)s2)ccc2cccnc12,0.24, 0.16313670447531034),3156,TRUE
CC(C)CN[C@@H](C)C(=O)C(=O)OCC(C)(C)N1CCCNC1=O,0.24, 0.5113344103620322),3163,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(N3CCOCC3)cccc2c2ccccc12,0.24, 0.4210453248130266),3170,TRUE
COC(C)(/C=C/C=O)N(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccc(C=O)s1)[C@@H](O)[C@H](O)[C@H](C)N,0.24, 0.1733011528886523),3177,TRUE
NC(=O)C(=O)[C@@H](N)Cc1c(F)cc(F)cc1F,0.24, 0.7345796146442898),3184,TRUE
CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)C(=O)Oc1nc2c(OP(=O)(O)O)cccc2c2ccccc12)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.06717489558206362),3191,TRUE
C[C@@H](C=O)NC(N[C@@H](C)C(=O)C(N)=O)c1cc(C#N)cc(Nc2ccc(C(=N)N)cc2)c1,0.24, 0.09820609633405776),3198,TRUE
C[C@@H](C=O)C[C@H](O)CNC(C)(/C=C/C(=O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)c1ccc(Cl)cc1Cl,0.24, 0.17517423519722372),3205,TRUE
N[C@@H](Cc1oc(C=O)cc1-c1cccc2cc(Oc3nc4ccccc4c4ccccc34)[nH]c12)C(=O)C=O,0.24, 0.16225243580436152),3212,TRUE
CCOc1cc(C)c(OC(=O)CC[C@@H](C=O)NC(C)(/C=C/C=O)NC(=O)c2ccco2)c(Cc2ccc(F)cc2Cl)c1,0.24, 0.08127311372118379),3219,TRUE
C[C@H](NC(NC1CC(CCc2cncs2)CCC1O)[C@@H](O)[C@H](C)N)C(=O)C=O,0.24, 0.19415014065661493),3226,TRUE
CC(C)(C)Nc1ccc2nc(OC(C)(N)/C=C/C=O)c3ccc(-c4nc(S)[nH]c(=O)c4C#N)cc3c2c1C[C@H](N)/C=C/C=O,0.24, 0.04383710159001837),3233,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@H](C=O)Cc1cccc(SC2C(Oc3nc4ccccc4c4ccccc34)C2C(C)(N)/C=C/C=O)c1,0.24, 0.09702644309210723),3240,TRUE
NC(=O)C(O)OC(=O)C(=O)[C@@H](N)Cc1c(O)c(=O)c2c(O)cc(O)cc2o1,0.24, 0.17677209401221405),3247,TRUE
Cc1noc(C)c1-c1ccc2c(OC(C)(N)/C=C/C=O)nc3ccc(-c4ccc(/C=C/C=O)cc4)cc3c2c1,0.24, 0.11057763936749333),3254,TRUE
CC(N)(/C=C/C(=O)Oc1cccc2[nH]c(C=O)cc12)c1ccc(Cl)c(-c2c(O)c(Cl)cc(Cl)c2Cl)c1Cl,0.24, 0.06867207259080389),3261,TRUE
[H]N[C@@H](Cc1ccc2[nH]c(O[Na])nc2c1)C(=O)C=O,0.24, 0.43256352917228924),3268,TRUE
Cc1cccc(C)c1OC(C)(OC(=O)/C=C/C(C)(N)OCC=O)c1cccc2cc(-c3c(F)cc(F)cc3F)[nH]c12,0.24, 0.10392640350058492),3275,TRUE
CC(C(=O)C(F)(F)F)N(C(=O)/C=C/C(N)Cn1ccc2ncnc-2c1)C(=O)c1cc2cc(Cl)ccc2[nH]1,0.24, 0.3501991082567545),3282,TRUE
CC(N)(/C=C/C=O)Oc1nc2cc(-c3ccc4[nH]c(Nc5nc6ccccc6[nH]5)cc4c3)ccc2c2ccccc12,0.24, 0.07528303429858728),3289,TRUE
CC(C)(C)Nc1cccc2c1c(OC(=O)/C=C/C(C)(NC(=O)[C@@H](N)CO)OCC=O)nc1ccccc12,0.24, 0.10629701570446329),3303,TRUE
C[C@@H](C=O)NC(=O)C(=O)[C@@H](N)Cc1c(Nc2c(Cl)cccc2N[C@H](C=O)CCCCN)ccc(Cl)c1Cl,0.24, 0.12339456663025984),3310,TRUE
CC(C)(C)C1CC1C(c1c(O)c(Cl)cc(Cl)c1Cl)[C@H](N)C(=O)C=O,0.24, 0.4465944010484355),3317,TRUE
C[C@H](N)[C@@H](O)C[C@@H](N)Cc1cccc2nnn(Oc3cccc4c3nc(OC3CC(C(C)(N)/C=C/C=O)C3)c3ccccc34)c12,0.24, 0.0928585115382086),3324,TRUE
CC[C@@H](N)Cc1c(B(O)O)cc(C([C@H](N)C(=O)C=O)N2CCOCC2)c(N(C)C(=O)c2cc3ccccc3[nH]2)c1[N+](=O)[O-],0.24, 0.06068807813451563),3331,TRUE
CC[C@@H](N)Cc1c(Cl)cc(Cl)c(NC)c1NC(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C,0.24, 0.3397397837768089),3345,TRUE
CC(N)(/C=C/C=O)c1c(Oc2nc3ccccc3c3ccccc23)coc(=O)c1-c1cc(O)c(O)c(O)c1-c1cccnn1,0.24, 0.08212852630406521),3352,TRUE
C[C@H](NC(c1ccccc1F)c1ncsc1-c1cc(F)c(F)cc1F)C(=O)C(=O)O,0.24, 0.33012895855429125),3359,TRUE
CSc1cc(C)c(N(C(=O)/C=C/C(C)N)[C@@H](CCC(=O)Oc2nc3ccccc3c3ccccc23)C(C)=O)s1,0.24, 0.10865288407121611),3366,TRUE
CCCNc1ccc(Cl)cc1CNC(C)(/C=C/C=O)c1cc(C[C@H](N)C(=O)c2nc(NC)cs2)ccn1,0.24, 0.133198433653129),3373,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c([C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)cccc2c2cc(-c3cccc4cc[nH]c34)ccc12,0.24, 0.12438545521225465),3380,TRUE
[H]Nc1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c2c1,0.24, 0.3303441624131991),3387,TRUE
CC(C)CC(=O)N(C(=O)[C@@H](O)CC=O)C(/C=C/C=O)Cc1ccc2[nH]c(Oc3nc4ccccc4c4ccccc34)nc2c1,0.24, 0.11611642297328978),3394,TRUE
CC(N)(/C=C/C=O)c1cccc2cc(-c3cc(O)c(O)c(Oc4nc5ccccc5c5ccccc45)c3)cc(C[C@@H](N)CC=O)c12,0.24, 0.05720135043066186),3401,TRUE
CC(N)(/C=C/C=O)Oc1nc2c(N3C[C@H]4CCCC[C@@H]4CC3Nc3nc4ccccc4[nH]3)cccc2c2ccccc12,0.24, 0.08988223319045299),3408,TRUE
N[C@@H](Cc1c(-c2ccccn2)c(Cn2ccc3ncnc-3c2)c2c(c1-c1ccoc(=O)c1)OCO2)C(=O)C=O,0.24, 0.23706058322345316),3415,TRUE
CC(C)CC(=O)N(C(=O)C(C)N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)C(C)(/C=C/C=O)Oc1ccc(O)cc1,0.24, 0.1824421834678819),3422,TRUE
CC(N)(/C=C/C=O)Oc1nc2c(N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)cc(NS(=O)(=O)c3ccccn3)cc2c2ccccc12,0.24, 0.07227368731373568),3429,TRUE
Cc1cccc2c(-c3ccc4nc(OC5[C@@H](N)[C@@H]5CCOC(=O)C(=O)[C@H](C)N)c5ccccc5c4c3)ccnc12,0.24, 0.1694613150973057),3436,TRUE
CC(=O)[C@H](C)NC(=O)/C=C/C(CC1CCC([C@H]2CO2)CC1)NCc1cncc(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.11333643367568379),3443,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](CC(N)=O)C(=O)Oc1nc2c(Nc3ccc(N)cc3)cccc2c2ccccc12,0.24, 0.09595704458062242),3450,TRUE
CC(C)CN[C@@H](C)C(=O)C=O,0.24, 0.4635565430546414),3464,TRUE
CNC(C)(C)NC(C)(/C=C/C=O)c1cc(Oc2c(C)cc(-c3ccc4cc[nH]c4c3)cc2C)ccc1Cl,0.24, 0.1232253869304564),3471,TRUE
CC(/C=C/C=O)NCC(Oc1nc2ccccc2c2c(-c3c(O)c(Cl)cc(Cl)c3Cl)cccc12)[C@H](C)N,0.24, 0.09328085342275602),3478,TRUE
CCC(C)(C)NC(=O)/C=C/C(C)(N)N[C@@H](CC(NC(=O)N1CCCC1Cc1ccc2c(c1)OCO2)C(=O)O)C(=O)C(F)(F)F,0.24, 0.1628335965418059),3485,TRUE
CC(/C=C/C=O)(NCc1ccccc1)Oc1nc2ccc(N[C@@H](CCC=O)C(=O)CF)cc2c2ccccc12,0.24, 0.09906334220326075),3492,TRUE
C=C(CC)C(=O)C1CNCC(NC(C=O)CCC(=O)O)N1c1cc(C#N)cc(C[C@H](N)C(=O)C(=O)Nc2ccc(Cl)cc2)c1,0.24, 0.11061794535404325),3499,TRUE
[H]N[C@@H](Cc1ccc(C)c(NC(=O)[C@@H](N)[C@@H](O)Cc2c(F)cc(F)cc2F)c1)C(=O)C=O,0.24, 0.3403438023604814),3506,TRUE
CC[C@@H](C)[C@H](N)C(=O)N1CCN(c2ccc3c(c2)C[C@@H](O)[C@H]3Nc2c(C)nnc(C(C)(N)/C=C/C=O)c2N2CCCC2)CC1,0.24, 0.23483359547384866),3513,TRUE
C=C[C@@H]1C[C@]1(N)c1cc(O)c([C@H](N)C=O)cc1OC(=O)C(=O)[C@H](C)NC(=O)[C@H](N)CC(C)C,0.24, 0.10168229940406648),3520,TRUE
[H]N[C@@H](Cc1cccc(N)c1)C(=O)C=O,0.24, 0.3962067783984827),3527,TRUE
CC(C)[C@H](NC(=O)/C=C/C(N)(Cc1ccno1)Oc1nc2ccccc2c2ccccc12)[C@@H](O)C[C@@H](C)C=O,0.24, 0.10828789191489306),3534,TRUE
Cc1csc(-c2cc(C[C@H](N)CCC=O)c3c(C[C@H](N)C(=O)C=O)nc4ccccc4c3c2)n1,0.24, 0.20488018455312088),3541,TRUE
CC1C(=O)OC(c2ccc(Br)cc2)(C2CCC2)[C@@H]1NC(C)(/C=C/C=O)N[C@H](C=O)CCC=O,0.24, 0.1893553425458418),3548,TRUE
CC(N)(/C=C/C=O)Oc1nc2c(-n3c(N)nc4ccc(C[C@H](N)C(=O)C=O)cc43)cccc2c2ccccc12,0.24, 0.08658081655902178),3555,TRUE
CCC(C)(C)NC(=O)C(=O)[C@@H](N)C[C@H]1CN1c1cc(=O)c2c(O)cc(O)cc2o1,0.24, 0.3953122381000611),3562,TRUE
C[C@@H](C(=O)C(=O)Oc1nc2ccc([C@H](N)C=O)cc2c2ccccc12)N(Cc1cccnc1)C1CC2CCCCC2CN1,0.24, 0.1277389550039525),3569,TRUE
C[C@H](N)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.6533256291466522),3576,TRUE
C[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)C(=O)NC1C(=O)OC[C@@H]1C,0.24, 0.5065120870696266),3590,TRUE
NC(=O)C(=O)[C@@H](N)Cc1cc(B(O)O)cc([N+](=O)[O-])c1,0.24, 0.188598045994825),3597,TRUE
CC(C)[C@@H](C=O)c1ccc2c(=O)n(C[C@H](N)C(=O)C(=O)Oc3nc4ccccc4c4ccccc34)[nH]c(=O)c2c1,0.24, 0.13230066551640463),3604,TRUE
C=C(CC)C(=O)c1c(C[C@H](NCc2ccccc2)C(=O)C(=O)Oc2ocnc2C=Nc2ccccc2)coc1C=O,0.24, 0.05787919297622557),3618,TRUE
CC[C@@H](C)[C@@H](C=O)NC(NC(C)(/C=C/C=O)C1CCCC1Nc1ccccn1)c1ccc([N+](=O)[O-])cc1,0.24, 0.11154825112495698),3625,TRUE
CC(C)C[C@@H](N)C(=O)N(C(=O)c1ccc([C@H]2COC(=O)C2)s1)[C@@H](C)C(=O)C=O,0.24, 0.3902057369678422),3632,TRUE
N[C@@H](C[C@@H]1OC1c1oc2cc(O)c(N/C(C=O)=C\c3ccco3)c(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.09788408821604046),3660,TRUE
CC[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H](N)C(C)C)C(=O)NC(C)(/C=C/C=O)N1CC(NC(C)=O)OC(Oc2nc3ccccc3c3ccccc23)C1,0.24, 0.09026501518737202),3667,TRUE
Cc1nc2cc(C[C@H](N)C(=O)C=O)c(CC=O)cc2n1C,0.24, 0.6071874447446226),3674,TRUE
C=C[C@@H]1C[C@H]1NC1(NC(C)(/C=C/C=O)N[C@@H]2C[C@H]3CCCC(Nc4ccccc4)[C@@H]3[C@@H](C)O2)CCCCC1,0.24, 0.1337741765255578),3681,TRUE
CC(N)(/C=C/C=O)c1ccc(/C=C/C=O)cc1Oc1nc2ccccc2c2cccc(Nc3ccccc3)c12,0.24, 0.12441434340158733),3695,TRUE
[H]N[C@@H](C)C(=O)C(=O)N[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C=O,0.24, 0.4123533082364281),3702,TRUE
CNc1cc2c(nc(OC(C)(N)/C=C/C=O)c3ccccc32)c(C(F)(F)F)c1N[C@@H](C)[C@@H](O)C[C@H](C)N,0.24, 0.11665902479532128),3716,TRUE
C[C@H](N)C[C@H](O)[C@H](C)Nc1ccc2nc(OC(C)(N)/C=C/C=O)c3ccccc3c2c1-c1c[nH]c2ccccc12,0.24, 0.07100065040280733),3723,TRUE
C[C@H](O)[C@@H](C=O)NC(=O)/C=C/C(C)(N)c1cc(-c2ccc(Cl)c(OC(C)(C)C(N)=O)c2)c(C=O)o1,0.24, 0.26397159863564634),3730,TRUE
Cc1cnc(C(=O)NC(C)/C=C/C(=O)Oc2nc3ccccc3c3cc([C@H]4CN4)cc(NC(C)C=O)c23)cn1,0.24, 0.09856752736748513),3737,TRUE
N[C@@H](Cc1oc2cc(O)c(N3CCC(c4ccc5cc(Oc6cccc(Cl)c6Cl)[nH]c5c4)C3)c(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.11312238659465623),3744,TRUE
CC(/C=C/C=O)(NCc1ccc(Cl)cc1)Oc1cccc(Cc2nc[nH]c2C[C@H](N)C(=O)C(F)(F)F)c1,0.24, 0.1815460941970198),3751,TRUE
N[C@@H](Cc1ccc2[nH]cnc2c1)C(=O)C(=O)Oc1nc2ccccc2c2cccc(CC(=O)c3ccco3)c12,0.24, 0.13128551624037868),3758,TRUE
N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)C=O,0.24, 0.5860996805754763),3765,TRUE
CC(N)(/C=C/C=O)NCc1ccc(Br)c(Oc2cccc3[nH]c(C=O)c(Cn4ccc5ncnc-5c4)c23)c1,0.24, 0.12445514056327196),3772,TRUE
Cc1cnc(C(=O)N(C(=O)CC(C)C)C(C)(/C=C/C=O)Oc2nc3ccccc3c3cccc(C4CC5CCCCC5CN4)c23)cn1,0.24, 0.09172913947341858),3779,TRUE
CC(N)(/C=C/C=O)[C@@H]1C(NC2CCCC2)C(Nc2ccccc2)CN1C(=O)c1nc2ccccc2cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.07722832806971207),3786,TRUE
CC(/C=C/C(=O)Nc1ccc(N)cc1)NC(=O)[C@H](N)CC(C)(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.148115615574883),3807,TRUE
C[C@H](NC(=O)CC[C@H](N)C=O)C(=O)C(=O)N[C@H]1c2ccc(-c3ccnn3C)cc2C[C@H]1O,0.24, 0.3029588769573743),3814,TRUE
CCOC(C)(C(=O)C(F)(F)F)N(c1ccccc1O)c1c(C(C)(N)/C=C/C=O)c(-c2ccccc2[N+](=O)[O-])cn1C,0.24, 0.10393794224845547),3821,TRUE
CCCC1=C(O)OC(N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)N)(C(C)(/C=C/C=O)NCC=O)C(c2ccccc2N)C1=O,0.24, 0.10040639535561567),3828,TRUE
CCC(C[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)Oc1ocnc1C=Nc1ccccc1)c1cc(-c2sc(SC)cc2C)ccc1N,0.24, 0.0554469572246631),3835,TRUE
[H]C(c1cc(C)cc(Oc2nc3ccccc3c3ccccc23)c1)[C@H](N)C(=O)C(N)=O,0.24, 0.38147174456603605),3842,TRUE
CC(Oc1nc2ccccc2c2cccc(CC=O)c12)[C@@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)C(N)=O,0.24, 0.23278038523518094),3849,TRUE
C[C@H](NCC=O)C(=O)C(=O)Oc1nc2c(-c3cccc(Cl)c3Cl)c(C3CC3)ccc2c2ccccc12,0.24, 0.1347472603148758),3856,TRUE
C=C(CC)C(=O)c1c(NC(=O)/C=C/C(C)(N)N[C@@H](CC)C(=O)O)ccc(N)c1-c1ccc(N)c(Oc2ccc(O)cc2)c1,0.24, 0.06303577471326699),3863,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1ccccc1Oc1nc2ccccc2c2ccc(-c3ccc4c(c3)nc(C)n4C)c(N[C@@H](C)C=O)c12,0.24, 0.06855174802632492),3870,TRUE
NC(=O)C(=O)[C@@H](N)Cc1cccc(N)c1,0.24, 0.4425124515728746),3877,TRUE
CC(/C=C/C=O)N[C@H]1COC(=O)C1(C)NC1CCCC1(N[C@@H](C)C(=O)C(F)(F)F)Oc1nc2ccccc2c2ccccc12,0.24, 0.09659965604670176),3884,TRUE
NC(=O)C(=O)[C@@H](N)Cc1cccc(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.39156592972324317),3891,TRUE
C=C(CC)C(=O)c1cccc2c1nc(Oc1ccnc(NC3CC3C(C)(N)/C=C/C=O)c1)c1ccccc12,0.24, 0.11758554585125511),3905,TRUE
CC(C)[C@H](NC(=O)/C=C/C(C)(N[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)c1ccc(Cl)cc1)[C@@H](O)C[C@@H](C)C=O,0.24, 0.2551558578225742),3912,TRUE
Cc1cc(O)ccc1C(C)(C[C@H](N)C(=O)C(=O)OP(=O)(O)O)c1nc[nH]c1Oc1nc2ccccc2c2ccccc12,0.24, 0.09389078687767795),3919,TRUE
CCN[C@@H](C)C(=O)C(=O)N(C(=O)[C@H](N)CC(C)C)c1cccc(CC(N)C(=O)C(N)=O)c1,0.24, 0.30694920391029584),3926,TRUE
C[C@H]1COC(=O)C1c1ncc(Oc2nc3c(OCC=O)cccc3c3ccccc23)cc1C[C@H](N)C(=O)C=O,0.24, 0.14115246707564338),3933,TRUE
[H]c1cc(C[C@H](N)C(=O)C=O)c(-c2ccc(OC)c(O)c2)c(C2C(=O)OC[C@@H]2C)c1Br,0.24, 0.3587637664855418),3940,TRUE
CC(=O)[C@H](CCC(=O)Oc1nc2ccccc2c2ccccc12)NC(=O)/C=C/C(N)Cc1c(F)cc(F)cc1F,0.24, 0.16871348731338803),3954,TRUE
C[C@H](NC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)C(=O)c1nc(-c2ccn(C)c2)cs1,0.24, 0.09793367388675606),3961,TRUE
CC(=O)n1cc(Oc2cncc(Br)c2)c2cc(N(C(=O)[C@H](C)NC(=O)/C=C/C(C)N)N(C=O)CCC(N)=O)ccc21,0.24, 0.15501959774883717),3968,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)[C@@H]1CCCN1C(=O)c1cc2cc(F)ccc2[nH]1,0.24, 0.18054476342582276),3975,TRUE
CC[C@H](NC1CCC1C([C@H](N)C(=O)C=O)n1[nH]c(=O)c2ccccc2c1=O)C(=O)O,0.24, 0.31542013281916603),3982,TRUE
[H]N[C@@H](Cc1ccccc1)C(=O)C=O,0.24, 0.5320470866249443),3989,TRUE
Cc1nc(-c2cccc3c(OC(C)(/C=C/C=O)NCC(C)(C)Oc4ccc(O)cc4)nc4ccccc4c23)cs1,0.24, 0.0847942046955293),4003,TRUE
Cc1oc(=O)oc1CNC(C)(/C=C/C=O)Oc1nc2ccccc2c2c(CN3C(=O)C(=O)c4cc(C#N)ccc43)cccc12,0.24, 0.08560537765545172),4010,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(Oc3cccc4[nH]c(C(=O)NC5CC5)cc34)cccc2c2ccccc12,0.24, 0.16861463788702072),4017,TRUE
N[C@@H](Cc1nn[nH]c1C(CC=O)c1cc(=O)c2c(O)cccc2o1)C(=O)C=O,0.24, 0.3564697912028903),4024,TRUE
CC(N)(/C=C/C=O)O[C@@H](Cc1c(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc(Cl)c1Cl)[C@H](N)C=O,0.24, 0.18804078850235295),4031,TRUE
C[C@H](NC1(c2ccc(C=O)o2)O[C@H]2OCC(c3ccc4[nH]cnc4c3)[C@H]2[C@H]1OC(C)(N)/C=C/C=O)[C@@H](C)O,0.24, 0.17546641452628003),4038,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccc(OC(C)(C)Cn3[nH]c(=O)c4ccccc4c3=O)cc2c2ccccc12,0.24, 0.13553225295426385),4045,TRUE
CC(C)C[C@@H](N)C(=O)N[C@@H](C)C(=O)C(=O)N1CCC(C)CC1(C(F)F)n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.4465101682690514),4052,TRUE
Nc1cccc(N2CCNCC2)c1C[C@H](N)C(=O)C=O,0.24, 0.3739322552557348),4059,TRUE
Cc1ccc(CC(N)/C=C/C=O)c(-c2ccnc3c(C)c(Oc4nc5ccccc5c5ccccc45)ccc23)c1C=O,0.24, 0.11992080742034432),4066,TRUE
C[C@H](NCC(C)(C)Oc1nc2ccccc2c2c(CC(=O)[C@@H](N)CCC=O)cccc12)C(=O)C=O,0.24, 0.21844378836434952),4080,TRUE
CC(/C=C/C=O)N(c1cc(-c2ccccc2)ccn1)C1CC2(CC=O)CCC(c3ccc4[nH]cnc4c3)CC2CN1,0.24, 0.1957405993100924),4087,TRUE
C[C@H](NC(C)(/C=C/C=O)NC(=O)[C@@H](N)CCc1cc(O)c(O)c(O)c1-c1ccccc1N)C(=O)c1nccs1,0.24, 0.04352658495181376),4101,TRUE
CC(C)C[C@H](NC(C[C@H](NC(C)(N)/C=C/C(=O)OC(C)(C)C(N)=O)C(=O)C(F)(F)F)C(=O)O)B(O)O,0.24, 0.05930463222502661),4108,TRUE
N[C@@H](Cc1ccc(Oc2nc3ccccc3c3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc23)cc1F)C(=O)C=O,0.24, 0.13584821892281204),4122,TRUE
CCC[C@H](NC1CCCC2CC(c3cc(O)c(O)c(O)c3)NCC21c1ccccc1C)C(=O)C=O,0.24, 0.22162012852097002),4129,TRUE
C[C@H]1COC(=O)C1Cc1cccc2c(OC(N)(/C=C/C=O)Cc3cccc4ccccc34)cc(NC(C=O)CCC(=O)O)nc12,0.24, 0.07975548982045597),4136,TRUE
N[C@@H](Cc1coc2cc(O)cc(O)c2c1=O)C(=O)C(=O)Nc1ccc(Cl)cc1,0.24, 0.47725848469800825),4143,TRUE
C[C@H](NC=O)[C@H](O)CNC(C)(/C=C/C=O)c1ccc(Br)cc1Oc1cccc2[nH]c(C=O)cc12,0.24, 0.21077406693951864),4150,TRUE
C[C@H](NC(=O)[C@@H](N)C(C)(N[C@@H](CCC=O)C(=O)C(F)(F)F)Oc1nc2ccccc2c2ccccc12)C(=O)C=O,0.24, 0.12330401870586259),4157,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1c(C)csc1SC,0.24, 0.4824715475157693),4164,TRUE
CC(/C=C/C=O)NC(c1cc(C#N)cc(Oc2nc3ccccc3c3ccccc23)c1)c1c(F)cc(F)cc1F,0.24, 0.1278067466081412),4171,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(C3(c4c[nH]nn4)CCC(Nc4ccccc4Cl)CC3)cccc2c2ccccc12,0.24, 0.13624155492447534),4178,TRUE
CC(=O)N(C(=O)/C=C/c1c(C[C@H](N)C(=O)C(F)(F)F)cc([N+](=O)[O-])cc1-n1cc2c(c1)C(=O)C=CC2=O)C(C)/C=C/C=O,0.24, 0.1856810669127269),4185,TRUE
C[C@H]1COC(=O)C1Cc1cc(C[C@H](N)C(=O)C=O)sc1C=O,0.24, 0.4463460529568786),4192,TRUE
N[C@@H](Cc1sc(C(=O)Oc2nc3c(CCC=O)cccc3c3ccccc23)cc1[C@H](N)C=O)C(=O)C=O,0.24, 0.13189767769232194),4199,TRUE
Cc1cc(N(C(=O)c2cc3cc(F)ccc3[nH]2)C2CC2c2cc3ccccc3s2)c(C(C)(N)/C=C/C=O)nn1,0.24, 0.20236430472721828),4206,TRUE
CCN(C(=O)[C@@H](N)C(C)C)[C@@H](C)C(=O)C=O,0.24, 0.5113002462492082),4213,TRUE
CC(N)(/C=C/C=O)Oc1nc2c(Nc3ccccc3Cl)cccc2c2cc(-c3ccc(O)cc3)ccc12,0.24, 0.09482118796498726),4220,TRUE
C[C@H](N[C@@H]1C[C@H]2CCCC(c3ccc(/C=C/C=O)cc3)[C@@H]2[C@@H](C)O1)C(=O)C=O,0.24, 0.4443930432428538),4227,TRUE
C[C@@H](C[C@H](O)[C@H](C)N)NC(=O)/C=C/C(C)(N)N[C@@H](Cc1c(F)cc(F)c(F)c1-c1ccccc1Cl)C(=O)C(F)(F)F,0.24, 0.10759301478907202),4234,TRUE
C[C@H](N)[C@H](O)CNC(c1cc(Oc2nc3ccccc3c3ccccc23)c(F)cc1Cl)[C@H](N)C(=O)C=O,0.24, 0.14045720160159617),4241,TRUE
CC(C)C[C@H](NC(N)(/C=C/C=O)C(c1c(F)cc(F)cc1F)N1CCOCC1Cc1ccccc1)B(O)O,0.24, 0.14381884571272688),4248,TRUE
N[C@@H](Cc1cc(-c2ccc3[nH]ccc3c2Oc2nc3ccccc3c3ccccc23)no1)C(=O)C=O,0.24, 0.18964732178577273),4255,TRUE
CCC(=O)N(C(=O)c1cnc(C)cn1)C(C)(/C=C/C=O)Oc1nc2ccccc2c2cccc([C@@H]3CCCN3)c12,0.24, 0.14699524768213157),4262,TRUE
COc1ccc2c(C[C@H](N)C(=O)C=O)nc3ccccc3c2c1-c1cc(F)c(F)cc1F,0.24, 0.21200232963680155),4283,TRUE
C[C@H](NC(c1ccc(Cl)cc1)c1ccccc1N=Cc1ncoc1O)C(=O)C(=O)O[C@H]1CO[C@H]2OCC[C@@H]12,0.24, 0.23693233316669504),4290,TRUE
CC(C)N[C@@H](Cc1cccc2[nH]c(C=O)c(-c3ccc4cc[nH]c4c3)c12)C(=O)C=O,0.24, 0.30908375589747444),4297,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@@H](C)C(=O)N(C(=O)c1nc2ccccc2[nH]1)c1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.10121422977615957),4304,TRUE
CC(=O)[C@H](CCC=O)N(C(=O)/C=C/c1ccc2c(c1)OCO2)c1cccc(CC(C)NC(C)(/C=C/C=O)c2ccc(C(=O)CF)o2)c1,0.24, 0.11758981603557533),4311,TRUE
Cc1cc(C(=O)N([C@@H](C)C=O)C(C)(/C=C/C=O)N(C)Cc2cccc3cc(N[C@@H](CC(C)C)B(O)O)[nH]c23)no1,0.24, 0.10257274811987702),4318,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](CC(CC(N)=O)c1ccccc1Cl)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.15631684852669372),4325,TRUE
CC(=O)Nc1c(NC2CCCCC2)ccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.29665503786057457),4332,TRUE
C[C@H](N)C(=O)Cc1ccc2c(OC(C)(/C=C/C=O)NCCC(=O)O)nc3c(N4C[C@H]5CCC[C@H]5C4)cccc3c2c1,0.24, 0.13046557111458704),4339,TRUE
Cc1ccc(Nc2ccc(N)cc2)cc1Oc1nc2ccccc2c2cc(CC(N)C(=O)C(N)=O)ccc12,0.24, 0.13529717265165284),4346,TRUE
C[C@H](NC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2cccc(Nc3cc(Cl)cc(Cl)c3)c12)C(=O)C=O,0.24, 0.06380475398351158),4353,TRUE
CC(=O)C(=O)C(Nc1cc(-c2cccc(Cl)c2Cl)cc2c1c(OC(=O)[C@@H](N)CCCC(N)=O)nc1ccccc12)[C@@H](C)O,0.24, 0.0998759984007759),4360,TRUE
Cc1cccc(C)c1C(NC(C)(C)C)(c1ccc2[nH]c(C(C=O)NC=O)cc2c1)C(/C=C/C=O)NC(=O)[C@@H](N)C(C)(C)C,0.24, 0.15986031858341443),4367,TRUE
C[C@H](NC(c1cc(C#N)ccc1N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)[C@@H]1CNCCN1)C(=O)C(=O)OP(=O)(O)O,0.24, 0.11343745394474539),4374,TRUE
[H]c1ccc(NC(=O)C(=O)[C@H](C)N)cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.3994318573927245),4381,TRUE
C[C@H](N[C@@H]1C[C@H]2CCCC(c3scnc3NC3CCCCC3c3ccccc3O)[C@@H]2[C@@H](C)O1)C(=O)C=O,0.24, 0.3147263157941321),4388,TRUE
Nc1ccc(NC(=O)C(=O)[C@@H](N)C(Oc2cncc(Br)c2)c2cc(F)c(F)cc2F)cc1,0.24, 0.25492509105420735),4395,TRUE
CCCCNc1ccc(S(=O)(=O)NC(C)(N)/C=C/C(=O)N[C@H](C(=O)C[C@@H](C)C=O)C(C)C)c(OC(C)C)c1,0.24, 0.09936273989060368),4402,TRUE
CC(/C=C/C=O)NCc1cccc(NC(C=O)Oc2cnc(N[C@@H](C)C(=O)c3nccs3)c(Br)c2)c1,0.24, 0.11275858156559429),4416,TRUE
CC(/C=C/C=O)(NCc1nc(N)sc1-c1cc(O)c(O)c(O)c1)c1ccc(Oc2nc3ccccc3c3ccccc23)cc1N,0.24, 0.03515772137011368),4423,TRUE
Cc1csc(SCc2coc3cc(O)c(-c4cncc(Oc5nc6ccccc6c6ccccc56)c4)c(O)c3c2=O)c1C(C)(N)/C=C/C=O,0.24, 0.05849980394358099),4430,TRUE
CC(/C=C/C=O)(NCC=O)Oc1cccc(-c2cccc3[nH]c(-c4cc(B(O)O)cc([N+](=O)[O-])c4)cc23)c1,0.24, 0.05962439001973973),4437,TRUE
Cc1nc2cc(N([C@H](C)[C@H](C)N)C(C)(/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)N[C@@H](C)C(=O)C=O)ccc2n1C,0.24, 0.05459076159987913),4444,TRUE
[H]NC1CCCC1N[C@@H](Cc1ccc([H])c(N)c1)C(=O)C=O,0.24, 0.3968372270686462),4451,TRUE
C[C@@H](C=O)N[C@@H](Cc1cccc(/C=C/C(=O)Oc2nc3c(Oc4cncc(Br)c4)cccc3c3ccccc23)c1)C(=O)C=O,0.24, 0.05845198108968965),4458,TRUE
[H]NC1CCC1c1cc(CN(C(C)C(=O)C(N)=O)C(C)(N)/C=C/C=O)ccc1[N+](=O)[O-],0.24, 0.12284608195936304),4472,TRUE
CC(C)C(=O)N(C(=O)[C@@H](N)C(C)(C)Nc1ccccc1)C(C)(/C=C/C=O)[C@@H]1OC1NS(=O)(=O)C1(C)CC1,0.24, 0.2090256893408862),4486,TRUE
C[C@H](CC(c1nccs1)c1cc(=O)occ1Oc1nc2ccccc2c2ccccc12)[C@@H](C=O)NC(C)(N)/C=C/C=O,0.24, 0.08645181152115874),4493,TRUE
[H]c1cnnn1-c1cccc2c1nc(OC1CCCC1NC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.3452400618395911),4500,TRUE
[H]C1COC[C@H]1Oc1c(C[C@H](N)C(=O)C=O)oc2cccc(O)c2c1=O,0.24, 0.5638640000726306),4507,TRUE
Cc1ccc(Oc2nc3ccccc3c3ccccc23)c(Oc2ccc(O)cc2)c1C[C@H](N)C(=O)C=O,0.24, 0.16412610087939256),4514,TRUE
[H]C(=O)C(=O)[C@H](Cc1sccc1C[C@H](N)CC)N[H],0.24, 0.5527772997782265),4521,TRUE
C[C@H](NCc1ccc(Cl)cc1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.2791923299087477),4535,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(-c3ccc([SH](=O)=O)nc3-c3ccccc3[N+](=O)[O-])cc([C@H]3CN3)c12,0.24, 0.03223224946473691),4542,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(Oc3ccccc3)cccc2c2cc(-c3c(O)c(Cl)cc(Cl)c3Cl)ccc12,0.24, 0.09338977223129218),4549,TRUE
N[C@@H](Cc1c(O)c(=O)c2c(O)cccc2o1)C(=O)C=O,0.24, 0.5224196562994474),4556,TRUE
N[C@H](C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)C(c1ccccc1Cl)n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.1761369062523393),4563,TRUE
C[C@H](N)/C=C/C(=O)N(C)C(=O)/C=C/C(C)(N)Nc1ccc(Cl)c(N2CCOCC2)c1N1CC[C@@H]2CCCC[C@@H]2C1,0.24, 0.31861869603639653),4570,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(-c3ccc(Br)c(-c4cccc5[nH]c(C=O)cc45)c3)ccc12,0.24, 0.08645052817019243),4577,TRUE
Cc1ccc(-c2cccc(C(C)(N)/C=C/C(=O)N(C)C(=O)C(C)(C)N3CCCNC3=O)c2N2CCn3cnnc3C2)cc1,0.24, 0.40822023806127644),4584,TRUE
C[C@@H]1C[C@H]2CCCC(Oc3ccccc3)[C@@H]2CN1C(=O)[C@H](N)COC(=O)C(=O)[C@@H](N)Cc1cncc(Br)c1,0.24, 0.3375864724145877),4598,TRUE
C[C@H](Nc1ccc2c(Oc3cc(C[C@H](N)C(=O)C=O)ccc3Cl)nc3ccccc3c2c1)[C@@H](C)O,0.24, 0.17716424519555657),4605,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2CN1C1O[C@H]2OCC[C@H]2[C@H]1OC(C)(N)/C=C/C(=O)Nc1ccc(C(=N)N[C@@H]2CC3CCCCC3CN2)cc1,0.24, 0.1163861880997887),4612,TRUE
CC[C@@H](N)Cc1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.39461583557355084),4619,TRUE
Cc1cc(C(N[C@H](C=O)[C@H](C)O)N2C(=O)C(=O)c3cc(C#N)cc(-c4ccccc4F)c32)cc(C)c1OC(=O)/C=C/C(C)N,0.24, 0.10412242590723206),4626,TRUE
Cc1cccc2c(-c3ccc4c(c3)nc(OC(=O)C(=O)[C@H](C)N)c3cccc(-c5c(O)c(Cl)cc(Cl)c5Cl)c34)ccnc12,0.24, 0.08564972090383473),4633,TRUE
CSc1cc(C)c(-c2cc3cc(CC(/C=C/C=O)NCC(C)C)cc(Nc4ccccc4)c3n2C(C)=O)s1,0.24, 0.11477451544888283),4640,TRUE
C=C[C@@H]1C(C[C@H](N)C(=O)C=O)[C@]1(N)c1ccc2c(nc(OC(=O)C(=O)[C@H](C)N)c3ccccc32)c1C[C@H](N)CC,0.24, 0.0852344981875782),4647,TRUE
N[C@@H](Cc1cccc2ccccc12)C(=O)C=O,0.24, 0.6353560704347849),4654,TRUE
CC(N)(/C=C/C=O)N[C@@H](CCCc1cccc(Nc2oc3cc(O)cc(O)c3c(=O)c2O)n1)C(=O)C=O,0.24, 0.08877698335279317),4661,TRUE
Cc1c(O)ccc(Nc2ccc(N)cc2)c1N(C(=O)C(=O)[C@H](C)N[C@H](C)[C@H](C)N)[C@@H](C)C(=O)c1nc(N)cs1,0.24, 0.08906146039336926),4668,TRUE
[H]c1nc2cc(C[C@H](N)C(=O)C=O)c(-c3ccc(C=O)s3)cc2[nH]1,0.24, 0.5297061871985209),4675,TRUE
CC(/C=C/C(=O)N1C[C@H]2CC(c3cccnn3)C[C@H]2C1)NCC(=O)NC(=O)c1occc1-c1ccc2[nH]ccc2c1,0.24, 0.28421492682368515),4682,TRUE
CCCC1=C(O)OC(N(Cc2oc(=O)oc2C)[C@@H](C)C(=O)C(=O)OC(C)c2ccccc2)CC1=O,0.24, 0.391544158538502),4689,TRUE
Cc1cc(OC(=O)/C=C/C(C)(NCc2cccc(C#N)c2)Oc2ccccc2)ccc1CS(=O)C1=[SH]c2ncccc2N1,0.24, 0.05317977753289226),4696,TRUE
N[C@@H](Cc1cc(=O)occ1O[C@H]1CCOC1)C(=O)C(=O)Nc1cccc(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.19658275315679125),4710,TRUE
Cc1nc(-c2c(NC(C)(C)C)ccc3c(Oc4ccc(C(C)(N)/C=C/C=O)c(N)c4)nc4ccccc4c23)cs1,0.24, 0.08387328154167545),4717,TRUE
[H]C1CCCC1Nc1ccc2c(nc(OC(=O)C(=O)[C@H](C)N)c3ccccc32)c1[H],0.24, 0.40102723290987746),4724,TRUE
CC1CCN(c2c(-c3cccnn3)ccc(N[C@H](C=O)CCCC(N)=O)c2C(C)(N)/C=C/C=O)C(CCC=O)C1,0.24, 0.223914124921145),4731,TRUE
CC(N)(/C=C/C=O)Nc1c(Cl)cccc1-c1cccc(Oc2nc3ccccc3c3ccccc23)c1N,0.24, 0.07238555062030795),4738,TRUE
CCN(C(C)(C)C)C(/C=C/C=O)(C[C@@H]1C[C@H]1N(C(=O)c1nc2ccccc2[nH]1)C(=O)c1ccc(Cl)s1)c1ccco1,0.24, 0.1248787768282507),4745,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ncsc1-c1cc(O)c(O)c(O)c1-c1cc(F)c(F)cc1F,0.24, 0.2012003070174052),4752,TRUE
Cc1cc(O)ccc1C1CN(c2c(O)cc3oc(C(C)(N)/C=C/C=O)cc(=O)c3c2O)CC(c2cccnn2)N1,0.24, 0.17856552601358744),4759,TRUE
CC(=O)[C@@H](N)CCC(=O)N(C(=O)C(=O)[C@H](C)N)c1ccc([N+](=O)[O-])cc1Cl,0.24, 0.36652651100166694),4766,TRUE
NC(c1c(Oc2nc3ccccc3c3cc(Nc4nc5ccccc5[nH]4)ccc23)[nH]c2ccccc12)[C@H](N)C(=O)C=O,0.24, 0.09475124107986227),4773,TRUE
CC(/C=C/C=O)(NCc1cccc(O)c1)N(Cc1nc(N)sc1OCC=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1,0.24, 0.1867401180157164),4780,TRUE
Nc1ccc(NC(=O)c2cc3cc(C[C@H](N)C(=O)C=O)ccc3[nH]2)cc1-c1cc2ccccc2s1,0.24, 0.1538490132149145),4787,TRUE
CC(C)[C@@H](C=O)NC1CCNC(=O)N1C[C@H](N)C(=O)C=O,0.24, 0.3755605213324344),4794,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1oc2cc(O)c(CS(=O)C3=[SH]c4ncccc4N3)c(O)c2c(=O)c1O,0.24, 0.04690851252971527),4801,TRUE
COC(c1cc(O)c(O)c(O)c1)C(/C=C/C=O)N(C(=O)c1nc2ccccc2[nH]1)C(=O)[C@@H](NC(=O)/C=C/c1ccccc1)[C@@H](C)O,0.24, 0.07693344619681489),4808,TRUE
Cc1ccc(NC(=O)CN(Cc2cccc(Cl)c2)C(C)(/C=C/C=O)NCC=O)cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.06429907112768389),4815,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(Nc3ccccc3Cl)cc(C[C@H](N)C(=O)NN(C=O)CCC(N)=O)cc2c2ccccc12,0.24, 0.048115482510471305),4822,TRUE
Cn1ccc(C[C@H](N[C@H]2CO2)C(=O)C(=O)NS(=O)(=O)C2CC2)c1,0.24, 0.4664351464511426),4829,TRUE
CC(/C=C/C=O)(Nc1cc(B(O)O)cc([N+](=O)[O-])c1)N1C[C@H]2C(C(F)(F)F)CC[C@H]2C1Oc1nc2ccccc2c2ccccc12,0.24, 0.05931295361118038),4836,TRUE
C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.7389766901678327),4843,TRUE
NCC(=O)N1CC(c2ccc(O)c([C@H](N)C=O)c2)C[C@H]1C[C@H](N)C(=O)C=O,0.24, 0.3209085021311879),4850,TRUE
Cc1nc(-c2ccc([N+](=O)[O-])c(C(C)(/C=C/C(=O)Nc3ccc(Cl)c(NC4CCCC4)c3)NCC=O)c2)cs1,0.24, 0.10837462268889943),4857,TRUE
CC(C)[C@H](Nc1cccc2c1c(OC(N)(/C=C/C=O)Cc1cccc([N+](=O)[O-])c1)nc1ccccc12)[C@@H](O)C[C@@H](C)C=O,0.24, 0.04435583625993444),4864,TRUE
CC(C)CN[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2c(CCC=O)cccc12,0.24, 0.25278943827844086),4878,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cccc(CC[C@H](N)C(=O)O)c2c2cccc(Nc3ccc(N)cc3)c12,0.24, 0.09884727711583526),4885,TRUE
C[C@@H]([C@@H](C)O)N(c1cnc(S(N)(=O)=O)c(Oc2nc3ccccc3c3ccccc23)c1)C(C)(N)/C=C/C=O,0.24, 0.12638646980117854),4892,TRUE
Cc1cc(-c2ccno2)c(-c2ccc(/C=C/C=O)cc2)c(C)c1OC(=O)C(=O)[C@H](C)NCc1ccccc1,0.24, 0.09941875383799169),4899,TRUE
C[C@@H](C(=O)C(=O)O)N(Cc1cc(-c2cncc(Br)c2)n(C)c1-c1ccccc1Cl)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.33189039276955273),4906,TRUE
N[C@@H](Cc1oc2cc(O)c(-c3ccc(Cl)c(C4CC4)c3)c(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.3350371655916192),4913,TRUE
N[C@@H](Cc1ccc(Cl)cc1)C(=O)C(=O)NC1C(Oc2nc3ccccc3c3ccccc23)C1c1cccnn1,0.24, 0.22659792230111866),4920,TRUE
CC(N)/C=C/C(=O)Oc1nc2c(N3C(=O)NCCC3N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)cccc2c2ccccc12,0.24, 0.15968193528235536),4927,TRUE
CC(Cc1c(O)cc2oc(C3CC3c3ccoc3C(C)(/C=C/C=O)NCC=O)cc(=O)c2c1O)N1CCNCC1,0.24, 0.20803223379395946),4934,TRUE
CC1CCN(c2cccc(-c3ccc(NC(C=O)(NC(C)(N)/C=C/C=O)NS(=O)(=O)C4(C)CC4)cc3)c2)CC1,0.24, 0.17868482647639697),4941,TRUE
O=CC(=O)[C@H](Cc1c[nH]nn1)NC(CC(=O)O)(c1ccc(C(=O)CF)o1)c1ccc(O)cc1Oc1cccnc1,0.24, 0.10130079939068913),4948,TRUE
NC(=O)CCN(C=O)NC(=O)[C@@H](N)Cc1ccc(Cl)c(NC(=O)C(=O)[C@@H](N)Cc2c(F)cc(F)cc2F)c1,0.24, 0.13085818153518097),4955,TRUE
CCCC[C@H](N)C(=O)N1CCN[C@H](C(N[C@@H](C)C=O)[C@H](N)C(=O)C=O)C1Oc1nc2ccccc2c2ccccc12,0.24, 0.13414534195554478),4969,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(-c3ccc4[nH]ccc4c3)cc(C(=O)/C=C(\O)C(=O)O)c12,0.24, 0.05516905915152271),4976,TRUE
CC(C)COC(=O)C(=O)[C@@H](N)Cc1ccc2[nH]c(N[C@H](C=O)CO)nc2c1,0.24, 0.2605969253542829),4990,TRUE
C[C@H](NC(=O)[C@H](CC(C)(C)Oc1nc2c(OCC=O)cccc2c2ccccc12)C(=O)[C@@H](N)[C@@H](C)O)C(=O)C=O,0.24, 0.11566029675242598),4997,TRUE
Cc1cc(O)cc(-c2nc3ccccc3c3ccccc23)c1C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.12665703959654795),5004,TRUE
CC(=O)n1cc(C(F)(F)C(=O)c2ccco2)c2cc(-c3coc(C(NC4CC4)[C@H](N)C(=O)C=O)c3)ccc21,0.24, 0.18066420644921466),5011,TRUE
CC1CCN(c2c(Oc3nc4ccccc4c4ccccc34)ccc3c2C[C@@H](O)[C@H]3NC(C)(N)/C=C/C=O)CC1,0.24, 0.12593704659716706),5018,TRUE
[H]C[C@@H](C(=O)C=O)N(C(=O)[C@H](N)CC(C)Cc1ccc(O)cc1)c1cccc2ccccc12,0.24, 0.39720431967725905),5025,TRUE
Cc1cccc2c(OC(=O)C(=O)[C@H](C)N)ccnc12,0.24, 0.6636988742680727),5032,TRUE
COC1(c2ccc([N+](=O)[O-])cc2)COC[C@H]1OC(C)(/C=C/C=O)N[C@H](C=O)CCCC(N)c1ccnn1C,0.24, 0.11487127013545907),5039,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(N3CC4CCCCC4C(c4ccc5cc[nH]c5c4)C3)cccc2c2ccccc12,0.24, 0.15691346685116736),5046,TRUE
Cc1csc(C2(C(Nc3ccc(-c4cccc(/C=C/C=O)c4)cc3)[C@H](N)C(=O)C=O)CCCC2N[C@@H](C)C(=O)c2nccs2)n1,0.24, 0.07487287666660515),5053,TRUE
CCCCNC(C)(/C=C/C(=O)Oc1ccccc1Oc1nc2ccccc2c2cc(CCCC(=O)O)ccc12)NC,0.24, 0.04109713524163132),5067,TRUE
Cc1c2nccc(C[C@H](N)C(=O)C=O)c2ccc1,0.24, 0.6451187404003214),5074,TRUE
N[C@@H](Cc1cc(Oc2nc3c(CS(=O)C4=[SH]c5ncccc5N4)cccc3c3c(-c4ccc(F)cc4)cccc23)c(C=O)s1)C(=O)C=O,0.24, 0.050359484329988644),5081,TRUE
O=C/C=C/C(CC1CC(Oc2nc3ccccc3c3ccccc23)OC1=O)NCc1ccc([N+](=O)[O-])cc1,0.24, 0.0799692595209246),5088,TRUE
C[C@H]1O[C@@H](N(c2c[nH]c3ccc(Nc4ccc(Cl)cc4)cc23)C(C)(/C=C/C=O)N(C)CC(N)=O)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.12136133505555234),5095,TRUE
Cc1cc(CCC=O)c(C[C@@H](N)CC=O)c(C)c1Oc1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.11330440077035941),5116,TRUE
[H]Cc1cccc(C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3c(-c4ccccc4)cccc23)c1,0.24, 0.20819237343278973),5130,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1nc2cccc(CN3C(=O)C(=O)c4cc(F)ccc43)c2c2ccccc12,0.24, 0.2698386119652076),5137,TRUE
CC[C@@H](C=O)N(C(=O)c1cnc(C)cn1)c1cc(CC(N)/C=C/C(=O)Oc2ccnc3c(C)cccc23)cnc1S(N)(=O)=O,0.24, 0.1420640171108071),5144,TRUE
CC(N)(/C=C/C=O)c1cc(Oc2nc3ccccc3c3cc(-c4ccc5[nH]ccc5c4)ccc23)ccc1[N+](=O)[O-],0.24, 0.07443041320758667),5151,TRUE
CNc1cccc(C[C@H](N)C(=O)C=O)c1,0.24, 0.5388950649175962),5158,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2cccc(N[C@H](C=O)CC)c12,0.24, 0.28080923296908383),5165,TRUE
C#CC[C@@H](C=O)N(C(=O)[C@@H](N)CCc1nnc(S)n1-c1ccccc1)C(C=O)[C@H](O)C(=O)NC(C)/C=C/C=O,0.24, 0.09706832444558042),5179,TRUE
[H]Nc1cc(C[C@H](N)C(=O)C=O)c(Nc2ccc(-c3ccccc3)cc2)c2cc(C(=O)NC3CC3SC)[nH]c12,0.24, 0.11899399210435319),5186,TRUE
CC(C)COC(=O)C(=O)[C@@H](N)Cc1ccc2cc[nH]c2c1,0.24, 0.626777609578114),5193,TRUE
CC(C=O)Nc1ncsc1-c1c(Oc2ccccc2)[nH]c2ccc(Nc3ccc(Cl)cc3)c(C(C)(N)/C=C/C=O)c12,0.24, 0.09398082227056444),5200,TRUE
Cc1cc(O)ccc1-c1cc([N+](=O)[O-])cc(Cl)c1N(C(=O)c1sccc1Nc1cc(Cl)cc(Cl)c1)C(C)(N)/C=C/C=O,0.24, 0.05491572134136133),5207,TRUE
[H]N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)OP(=O)(O)O,0.24, 0.2747098060089528),5214,TRUE
C[C@@H](O)[C@@H](C=O)NC(=O)/C=C/C(C)(N)c1cc(F)c(F)c(CC2(c3ccnn3C)C(=O)OC[C@@H]2C)c1F,0.24, 0.19550017853624413),5221,TRUE
CNC(C)(N)/C=C/C(=O)Oc1nc2c(Oc3cncc(Br)c3)cc(Cc3ccccc3)cc2c2ccccc12,0.24, 0.09597550114374268),5228,TRUE
C=C(CC)C(=O)c1cc(-c2cccs2)c2c(c1)c(OC(OC(C)(N)/C=C/C=O)C(C)C)nc1ccccc12,0.24, 0.07356970064001071),5235,TRUE
C[C@H](N[C@@H]1OC1(NC(C)(C)C)c1cc(O)c(O)c(O)c1)C(=O)C(=O)Oc1nc2cccc(CCC=O)c2c2ccccc12,0.24, 0.04577835310636644),5242,TRUE
CC(C)[C@@H](C=O)Nc1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c2c1,0.24, 0.2746960732942524),5249,TRUE
CC(N)/C=C/C(=O)N[C@@H](CC(Oc1nc2ccccc2c2ccccc12)C(=O)NCCC(=O)O)C(=O)C(F)(F)F,0.24, 0.19426099306054642),5256,TRUE
C[C@H](NCC(C1CC2CCCCC2CN1)C(N)(C1CCC1)N1CCOCC1)C(=O)C(=O)NC1CCCCC1,0.24, 0.3209486655181502),5263,TRUE
Cc1nc2cc(Cc3cc(O)cc(-c4c[nH]nn4)c3C[C@H](N)C(=O)C=O)ccc2n1C,0.24, 0.3058220990463358),5277,TRUE
C[C@H]1O[C@H](CNC(/C=C/C=O)(Oc2ccc(O)cc2)C(C2CCOC2=O)n2[nH]c(=O)c3ccccc3c2=O)C[C@H]2CCCC[C@@H]21,0.24, 0.13428337744040242),5284,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NC(=O)c1ccc(Cl)o1)N[C@H](C=O)CCCCN,0.24, 0.05863085106533318),5291,TRUE
C[C@H]1COC(=O)C1Cc1cc(C#N)cc(CN(CCC(=O)O)C(C)(/C=C/C=O)Oc2cc(O)c3c(=O)c(O)coc3c2)c1,0.24, 0.1210795518080264),5298,TRUE
CN(Cc1cccc(Cl)c1-c1ccc(C=O)o1)C(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2ccccc12,0.24, 0.10621923438432712),5305,TRUE
CC(N)(/C=C/C=O)Oc1nc2cccc(CCC=O)c2c2cc(C(C=O)Oc3coc4cc(O)cc(O)c4c3=O)ccc12,0.24, 0.08805991865437457),5312,TRUE
CC(N)(/C=C/C=O)c1ccc(F)c(-c2ccc3[nH]c(C=O)c(-c4cc(=O)c5c(O)cc(O)cc5o4)c3c2)c1Cl,0.24, 0.16107620006061557),5319,TRUE
CC(N)(/C=C/C=O)NS(=O)(=O)c1cc(Oc2nc3ccccc3c3ccccc23)c(N)cc1Nc1ccc(-c2cccnn2)cn1,0.24, 0.051905265361931234),5326,TRUE
CC[C@H](N)C(=O)N(c1cccc(NC(=O)c2ccc(Cl)s2)c1)C(C)(/C=C/C=O)N(C=O)C(=O)c1cc2ccccc2[nH]1,0.24, 0.12490500345566888),5340,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(C(F)(F)F)ccc2c2ccccc12,0.24, 0.4394412525942245),5347,TRUE
O=C/C=C/C(NC(=O)c1cccs1)(c1ccc2[nH]cnc2c1)C(O[C@H]1CCOC1)c1ccccc1F,0.24, 0.2543216041067196),5354,TRUE
CSc1scc(C)c1CCC(NC1CCC[C@@H]2C[C@@H](NC(C)/C=C/C=O)NC(C(C)(C)C)[C@@H]12)N[C@@H](C)C=O,0.24, 0.11584939456973714),5361,TRUE
CC(=O)[C@@H](N)CC(Oc1nc2ccccc2c2ccccc12)C(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)C=O,0.24, 0.13326949764041285),5368,TRUE
Cc1noc(Nc2ccc3c(Oc4nc5ccccc5c5ccccc45)cccc3c2C(C)(N)/C=C/C=O)c1[N+](=O)[O-],0.24, 0.06487133185568353),5375,TRUE
CC(/C=C/C=O)(NCC[C@@H](C=O)N[C@@H]1C[C@H]2CCCC(c3ccoc(=O)c3)[C@@H]2CN1)c1ccccc1/C=C/C=O,0.24, 0.25877440804667606),5382,TRUE
Cc1cc(Cl)ccc1C(N[C@@H](C)C=O)[C@H](N)C(=O)C=O,0.24, 0.577760035684051),5389,TRUE
C[C@H](NC(Nc1ccccc1N1CCCC1)(Oc1nc2ccccc2c2ccccc12)[C@@H](O)C[C@@H](C)C=O)C(=O)C=O,0.24, 0.09287290492582255),5396,TRUE
Cc1oc(=O)oc1CN(C(C)/C=C/C=O)[C@H](C=O)Cc1oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc(O)c2c(=O)c1O,0.24, 0.10939432397434598),5403,TRUE
C[C@H]1C(OCC=O)OC(=O)C1(Cc1ccoc1C[C@H](N)C(=O)C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.13277345426348514),5410,TRUE
NC(=O)C(=O)[C@@H](N)CO[C@@H]1COCC1(c1cccc(/C=C/C=O)c1)[C@@H]1CC2CCCC(n3ccnn3)C2CN1,0.24, 0.22329433962931797),5424,TRUE
C[C@@H](O)[C@H](Nc1ccc(C=O)s1)C(=O)Nc1ccc(NC(=O)/C=C/C(N)Cc2ccc3[nH]c(C=O)cc3c2)cc1,0.24, 0.11362509015114976),5431,TRUE
CC(N)(/C=C/C=O)Oc1cncc(N2CCN(S(=O)(=O)c3cccc([C@@H]4CNCCN4)n3)CC2)c1,0.24, 0.25750905063909074),5438,TRUE
O=C/C=C/C(Cc1ccc([N+](=O)[O-])cc1-c1nc2ccccc2c2ccccc12)(NC(=O)/C=C/c1ccccc1)N1CCOCC1,0.24, 0.06645937108457266),5445,TRUE
CSc1cc(C)c(-c2c(Br)cncc2C(C)(/C=C/C=O)NC[C@@H](O)C[C@@H](C)C=O)s1,0.24, 0.25766441063471884),5452,TRUE
CC(=O)N(C(=O)/C=C/C(C)N)[C@H](C(=O)C(F)(F)F)C(Oc1nc2ccccc2c2ccccc12)C(C=O)N1CCC(C)CC1,0.24, 0.20531500879323292),5459,TRUE
C[C@H]1O[C@@H](OC2N[C@H](C[C@H](Nc3cc(O)c(O)c(O)c3N[C@H](C=O)CCCC(N)=O)C(=O)C=O)[C@@H]3[C@H]2C3(C)C)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.04672509293884905),5466,TRUE
CSc1scc(C)c1C(C)(CNC(C)(/C=C/C=O)N[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)NS(=O)(=O)C1CC1,0.24, 0.09185958891218794),5473,TRUE
Cc1csc(CC(C)(C)c2cccc(F)c2C(C)(/C=C/C(=O)Oc2cccc3[nH]c(C=O)cc23)NC(=O)c2nc3ccccc3[nH]2)n1,0.24, 0.06291211428799667),5480,TRUE
N[C@H](C(=O)C=O)C(c1cc(N2CCNCC2)on1)C1CC1,0.24, 0.546700503001703),5487,TRUE
CCc1cc(C[C@H](N)C(=O)C=O)cc2cc(C=O)[nH]c12,0.24, 0.6096908502419279),5501,TRUE
C[C@H](NC(c1ccc2nc(OC(C)(N)/C=C/C=O)c3ccccc3c2c1)C(N)C(=O)C(F)(F)F)C(=O)C=O,0.24, 0.11146620255211387),5508,TRUE
Cc1cc(C(=O)N(C2C(N[C@@H](C)/C=C/C=O)CC2C(C)(N)/C=C/C=O)[C@H](C=O)[C@H](C)C(C)Oc2ccnc3c(C)cccc23)no1,0.24, 0.1865107223685977),5515,TRUE
[H]NC(=O)C(=O)[C@H](Cc1cc(Oc2nc3ccccc3c3ccccc23)ccc1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)N[H],0.24, 0.15893954392649734),5522,TRUE
Cc1noc(C)c1C(O)[C@@H](C(=O)N[C@@H](Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)C=O)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.10540533698356815),5529,TRUE
CC(N)/C=C/C(=O)N(C(=O)c1nccnc1-c1cccc(Cl)c1)c1ccc(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1,0.24, 0.3095457798498717),5536,TRUE
CC(N)(/C=C/C=O)C1C(Oc2nc3c(-n4c(N)nc5ccccc54)cccc3c3ccccc23)C1C(=O)O,0.24, 0.1709653213986077),5543,TRUE
CC[C@H](C)N(C(=O)/C=C/c1ccccc1)C(C[C@H](NC(=O)/C=C/C(N)Cc1cccnc1)C(=O)C(F)(F)F)C(N)=O,0.24, 0.29612755695107534),5550,TRUE
N[C@@H](C[C@@H]1CC(Nc2ccc([N+](=O)[O-])cc2Cl)C(CC(=O)c2ccc(N3CCCNC3=O)o2)N1)C(=O)C=O,0.24, 0.10654509453815085),5557,TRUE
C[C@H](N)C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.18393010683817226),5564,TRUE
N[C@@H](CC1CC(c2c(O)c(=O)c3c(O)cc(O)cc3o2)OC1=O)C(=O)C=O,0.24, 0.3147747588441555),5571,TRUE
Cc1ccc(Nc2ccc(N[C@H](C(=O)[C@H](C=O)CO)[C@@H](C)O)cc2)c2c(OC(=O)/C=C/C(C)(N)c3cc(F)c(F)cc3F)ccnc12,0.24, 0.045515847770730554),5578,TRUE
Cc1oc(=O)oc1CN(CC(Oc1nc2ccccc2c2cccc(N[C@@H](C)[C@@H](C)O)c12)[C@H](C)N)C(C)/C=C/C=O,0.24, 0.12337550910920954),5585,TRUE
CC(N)(/C=C/C=O)c1c(Cl)cc(Cl)cc1N[C@@H](CCC(=O)Oc1nc2ccccc2c2ccccc12)C(=O)C(F)(F)F,0.24, 0.0859206238312083),5592,TRUE
CC[C@@H](C(=O)O)N(C(=O)c1nc2ccccc2[nH]1)C(C)(/C=C/C=O)N(c1ccoc(=O)c1)C(C=O)CCC(=O)O,0.24, 0.1508967609563049),5599,TRUE
CC(=O)n1ccc2cc(C[C@@H](O)[C@H](N)C(=O)N(c3ncsc3C[C@H](N)C(=O)C=O)S(=O)(=O)C3(C)CC3)ccc21,0.24, 0.21436618842594174),5606,TRUE
Cc1nnc(-c2ccc(OC(C)(N)/C=C/C=O)cn2)c(N2CC[C@H]3CCCC[C@@H]3C2)c1N[C@@H](C)[C@@H](O)C[C@H](C)N,0.24, 0.1851682304480782),5613,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2cccc(Nc3ccc(Cl)cc3)c12)(NCc1ccc(Cl)cc1)c1ccno1,0.24, 0.09642263857248694),5620,TRUE
C[C@H](O)[C@H](N)C(=O)Nc1cccc(C[C@H](N)C(=O)C=O)c1,0.24, 0.37480029106584456),5627,TRUE
[H]N[C@H](CC(C)C)C(=O)N(C(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O)[C@@H](Cc1ccc(C=O)o1)C(=O)C=O,0.24, 0.13468828042139241),5634,TRUE
NC(=O)C(=O)[C@@H](N)Cc1ccc(-c2cccc(Oc3nc4ccccc4c4ccccc34)c2)cc1,0.24, 0.2680470730993456),5641,TRUE
CNC(N)(/C=C/C(=O)OC(C)(C)C)Cc1nc2cc(Nc3ccc(N)c(C[C@H](N)/C=C/C=O)c3)n(C)cc-2n1,0.24, 0.08054039306243434),5648,TRUE
CC(=O)NC(Cc1c(C=O)[nH]c2c(N[C@@H](C)[C@@H](O)C[C@H](C)N)ccc(C(C)(N)/C=C/C=O)c12)C(=O)C(F)(F)F,0.24, 0.1608730399266318),5655,TRUE
N[C@@H](Cc1cccc(Oc2nc3ccccc3c3cc(-c4ccno4)ccc23)c1)C(=O)C=O,0.24, 0.22723320904750885),5669,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)NC(C)(C)C(C)(Oc1ccc(O)cc1)Oc1cccnc1,0.24, 0.08066663260976911),5676,TRUE
Nc1ccc(Nc2cccc3c2nc(OC(=O)C(=O)[C@@H](N)Cc2cc(O)c(O)c(O)c2)c2ccccc23)cc1,0.24, 0.060093922089742374),5683,TRUE
[H]C(=O)C(=O)[C@H](C)NC1CC2CC(O[H])CCC2CN1,0.24, 0.4793757486094357),5690,TRUE
C#CC([C@H](NC(=O)C(=O)[C@H](C)N)C(=O)Nc1nc2ccccc2[nH]1)N1CCC(C)CC1c1cccnn1,0.24, 0.26383710406389943),5697,TRUE
C[C@H]1O[C@H](CNC(C)(/C=C/C=O)N2C(=O)NCCC2Oc2nc3ccccc3c3ccccc23)C[C@H]2CCCC[C@@H]21,0.24, 0.21466579968331367),5704,TRUE
CC(C)C[C@H](NC(C=O)N(CC[C@H](C)N)[C@@H](C)C(=O)C(=O)N[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C=O)B(O)O,0.24, 0.05552664640818232),5711,TRUE
CSc1scc(C)c1CN(C)C(=O)C(=O)[C@@H](N)Cc1cc(F)c(F)cc1F,0.24, 0.4274491958581681),5718,TRUE
COC1(CS(=O)C2=[SH]c3ncccc3N2)COC(C[C@H](N)CCC=O)[C@H]1OC(C)(N)/C=C/C=O,0.24, 0.10201167784297058),5725,TRUE
CC(N)(/C=C/C=O)c1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c2c(N3CCCC3)c(NS(=O)(=O)c3ccc(N)cc3)[nH]c12,0.24, 0.08167817531789465),5732,TRUE
[H]C(=O)C(=O)[C@H](C)N(C(=O)[C@@H](N)C(C)(C)C)c1ccccc1Cl,0.24, 0.66479892941824),5739,TRUE
N[C@@H](Cc1cc(=O)c2c(O)cc(O)cc2o1)C(=O)C=O,0.24, 0.5224196562994474),5746,TRUE
C[C@H](N)C(=O)Cc1coc(=O)cc1-c1c(C(C)(/C=C/C=O)NCc2ccc(Cl)cc2)ccc(O)c1O,0.24, 0.18395859614043314),5760,TRUE
CC(C)C[C@H](Nc1cccc2c1c(OC(=O)/C=C/C(C)(N)N[C@@H](C)[C@@H](C)O)nc1ccccc12)B(O)O,0.24, 0.07556173956516045),5767,TRUE
C[C@H](NC1CCCC(Oc2nc3ccccc3c3ccccc23)C1)C(=O)C(=O)NS(=O)(=O)C1(C)CC1,0.24, 0.3520501427924197),5774,TRUE
CCCC[C@@H](C=O)NC(C)(/C=C/C=O)NC(=O)c1[nH]c2ccc(Oc3nc4ccccc4c4ccccc34)cc2c1Sc1ccccc1,0.24, 0.046737001636931924),5781,TRUE
NC(c1ccnn1Cc1ccc(Cl)cc1CCC(Oc1nc2ccccc2c2ccccc12)C(=O)O)[C@H](N)C(=O)C=O,0.24, 0.11202159121428427),5788,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3ccc(N)cc3)cccc2c2ccccc12,0.24, 0.24101010134253198),5795,TRUE
C[C@H](N)C(=O)C(=O)NC(C)(/C=C/C=O)c1nn(Cc2ccc(O)c(Cl)c2Cl)cc1-c1ccccc1F,0.24, 0.21852405679258938),5802,TRUE
CC(N)(/C=C/C=O)c1cc(CC2CC(Oc3cccc(Cl)c3Cl)OC2=O)ccc1NCCCN,0.24, 0.18110723291080835),5809,TRUE
N[C@@H](CC1CC(N)(C2CCCC2)OC1=O)C(=O)C=O,0.24, 0.4081495007527132),5823,TRUE
CC(NC(c1cc(-c2ccccc2)cc2ccccc12)[C@H](N)C(=O)C=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.09643230211920119),5830,TRUE
[H]C(c1cc(B(O)O)cc([N+](=O)[O-])c1)[C@H](N)C(=O)C=O,0.24, 0.17589882476285082),5837,TRUE
CC(/C=C/C=O)NC(=O)/C=C/[C@H](C)N(C(=O)[C@@H](N)C(C)Oc1nc2ccccc2c2ccccc12)c1cscn1,0.24, 0.1608980596277798),5844,TRUE
C[C@H](Nc1ccc2c(c1)OCO2)[C@@H](O)[C@H](O)[C@H](C)Nc1c(O)cc2oc(C(C)(N)/C=C/C=O)c(O)c(=O)c2c1O,0.24, 0.10101372389453803),5851,TRUE
CC(N)(/C=C/C=O)C1CCCC(Oc2nc3ccc(C[C@H](N)C=O)cc3c3cc(-c4ccccc4)ccc23)C1,0.24, 0.1702273138366308),5858,TRUE
CCOC1CC2CCCCC2CN1c1cc(C(C)(N)/C=C/C=O)oc1-c1cc(B(O)O)cc([N+](=O)[O-])c1,0.24, 0.1516929603697428),5865,TRUE
NCc1c(F)c(F)cc(F)c1C[C@H](N)C(=O)C=O,0.24, 0.44962839949018857),5872,TRUE
CCC(N)(Oc1cccnc1)C1=C(O)OC(N[C@@H](C)C(=O)C(=O)Oc2ccc(O)cc2)CC1=O,0.24, 0.1806324630929155),5879,TRUE
CC[C@@H](C=O)NC(C)(/C=C/C(=O)NC(C=O)N(c1ccccn1)[C@@H](C=O)CC(C)C)N(CC)CC(C)C,0.24, 0.17438501696568745),5886,TRUE
CC(/C=C/C=O)(N[C@@H]1OC1Oc1nc2ccccc2c2cc(-n3nnc4ccccc43)ccc12)Oc1ccc(O)cc1,0.24, 0.08252860269738908),5893,TRUE
CCC(c1nc(-c2ccc(Oc3nc4ccccc4c4ccccc34)cc2C(C)(N)/C=C/C=O)c[nH]1)c1ccccc1/C=C/C=O,0.24, 0.08727226266165589),5900,TRUE
N#Cc1cc(CC(N)/C=C/C=O)cc(C(CC=O)(Oc2nc3ccccc3c3ccccc23)c2ccc(Cl)cc2)c1,0.24, 0.11967280763335994),5907,TRUE
CC(N)(/C=C/C=O)c1oc2cc(O)c(-c3ccc4[nH]cnc4c3N3CCn4cnnc4C3)c(O)c2c(=O)c1O,0.24, 0.16484872864036731),5914,TRUE
N[C@@H](CC1CC1CC1CCOC1=O)C(=O)C=O,0.24, 0.4021874044066513),5921,TRUE
Cc1csc(SCc2cccc(O[C@@H](C)[C@H](N)C=O)c2Cl)c1C[C@H](N)C(=O)C=O,0.24, 0.3046250985614578),5928,TRUE
N[C@@H](CC1CC(c2cccc3c2[nH]cc3)OC1=O)C(=O)C=O,0.24, 0.49141284530163953),5935,TRUE
CC[C@H](NC(c1ccc2[nH]ccc2c1)[C@H](N)C(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(=O)OC(C)C,0.24, 0.20922299600445443),5942,TRUE
CC(C)(C)Nc1c(C[C@H](N)C(=O)C=O)cc([N+](=O)[O-])cc1B(O)O,0.24, 0.16430818358069305),5949,TRUE
N[C@@H](Cc1cccc(-c2cc([N+](=O)[O-])ccc2Oc2nc3ccccc3c3ccccc23)c1[N+](=O)[O-])C(=O)C=O,0.24, 0.08630622613257238),5956,TRUE
C[C@@H](C=O)C[C@H](O)[C@@H](N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(N)/C=C/C=O)C(C)(C)NC1CCCC1c1nc2cc[nH]cc-2n1,0.24, 0.06208317178902896),5963,TRUE
CC(=O)N(C(C)C(C)(O)NS(=O)(=O)c1ccc(N)cc1)C(C)(/C=C/C=O)NC(=O)[C@@H](N)C(C)(C)C,0.24, 0.1296633207473041),5970,TRUE
CC(/C=C/C=O)(NCC=O)NS(=O)(=O)c1ccc(N)cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.09823752694851702),5977,TRUE
C[C@H](NC(=O)/C=C/C(N)Cc1cccc(Cc2ccccc2)c1)C(=O)c1nc(-c2ccc(/C=C/C=O)cc2)cs1,0.24, 0.1394637201366669),5984,TRUE
CC(/C=C/C=O)NC(=O)c1cc2cc(F)cc(C[C@H](N)C(=O)Oc3nc4ccccc4c4ccccc34)c2[nH]1,0.24, 0.11983939619240438),5991,TRUE
CC(/C=C/C=O)(NCc1ccc(Cl)cc1)Oc1nc2ccccc2c2cc(-c3ccoc(=O)c3-c3ccccc3)ccc12,0.24, 0.08005548652167264),5998,TRUE
CC(=O)N1CCN[C@H](C(OC(=O)C(=O)[C@H](C)N[C@@H]2C[C@H]2NC(=O)c2cc3ccccc3[nH]2)C(C)C)C1,0.24, 0.2998095273943393),6005,TRUE
CCc1cccc2nc(OC3O[C@H]3CC(N)(/C=C/C(=O)OCC(C)C)c3cccc4ccccc34)c3ccccc3c12,0.24, 0.08407872854220065),6012,TRUE
C[C@@H](O)[C@H](NC(N)[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cc(N)ccc12)C(=O)[C@H](C=O)CO,0.24, 0.03486103826000621),6019,TRUE
C[C@H](N)/C=C/C(=O)N/C(C=O)=C\c1oc(C[C@H](N)C(=O)C=O)cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.11512967813790884),6026,TRUE
[H]N([C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)[C@@H](CCc1cc(O)c(O)c(O)c1)C(=O)O,0.24, 0.0989232022763824),6033,TRUE
CC(/C=C/C(=O)N1C[C@H]2[C@@H](C1)C2(C)C)(NCc1csc(N)n1)Oc1nc2ccccc2c2ccccc12,0.24, 0.20564472755784993),6040,TRUE
CC(C)(C)N(CC=O)C(C)(/C=C/C=O)N(C=O)c1ccc(N2CCCC2Cc2ccccc2)cc1,0.24, 0.26938187276812375),6047,TRUE
Cc1c(-c2cc3c(cc2CC(=O)c2ccco2)c(OC(C)(N)/C=C/C=O)nc2ccccc23)ccc(NC2CCCCC2)c1O,0.24, 0.037107676987094426),6054,TRUE
Cc1c2nccc(C[C@H](N)C(=O)C(N)=O)c2ccc1,0.24, 0.7774202711921914),6061,TRUE
C[C@H](N)C(=O)C(=O)N(c1nnc2n1CC(c1ccc(-c3cccc(O)c3)cc1)NC2)[C@H](C=O)CCCC(N)=O,0.24, 0.20568210942005377),6068,TRUE
C[C@H]1O[C@@H](OC(=O)/C=C/C(C)(N)N[C@H](C=O)CCC(CN)Nc2ccc(Cl)cc2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.08321582120693324),6075,TRUE
C[C@H](N)C(=O)C(=O)N(c1cc(C2(N)CC2Oc2nc3ccccc3c3ccccc23)oc(=O)c1)[C@H](C=O)CC(N)=O,0.24, 0.14358054339872026),6082,TRUE
CC(C)C[C@@H](C(=O)NC(C)(/C=C/C=O)Oc1nc2cc(Oc3cccc4[nH]c(C=O)cc34)ccc2c2ccccc12)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.040449955555079506),6089,TRUE
CC(=O)[C@H](CCC(=O)Nc1ccccc1Cl)NC(c1ccc2c(c1)OCO2)(c1ccc2[nH]cnc2c1)[C@H](N)C(=O)C=O,0.24, 0.14325530607921685),6096,TRUE
Cc1cccc(C)c1CC(=O)n1ccc2cc(C[C@H](N)C(=O)C(N)=O)ccc21,0.24, 0.6410455344316487),6103,TRUE
NC(Cc1ccc(-n2c(S)nnc2C[C@H](N)C(=O)C=O)c(CC[C@H](N)C(=O)O)c1)C(=O)C(F)(F)F,0.24, 0.13976003965551695),6110,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cccc(N)c1,0.24, 0.3962067783984827),6117,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(N3CCCC3)c(CS(=O)C3=[SH]c4ncccc4N3)ccc2c2ccccc12,0.24, 0.10656507667552646),6131,TRUE
CC(N)(/C=C/C(=O)N1C[C@H]2[C@@H](C1)C2(C)C)Oc1nc2ccccc2c2cccc(On3nnc4ccccc43)c12,0.24, 0.19110993166905985),6145,TRUE
CC(/C=C/C=O)(NC(=O)c1nc2ccccc2[nH]1)c1cccc2cc(-c3ccc(-c4cc(O)c(O)c(O)c4)cc3)[nH]c12,0.24, 0.08160470242979577),6152,TRUE
C=C(CC)C(=O)c1cc(-c2cc3c(C(=O)/C=C(\O)C(=O)O)cc(C[C@H](N)C(=O)C=O)cc3[nH]2)oc1C(=O)CF,0.24, 0.08243692045942633),6159,TRUE
CCC(c1nc2ccn(C)cc-2n1)[C@H](N)C(=O)C(=O)N(C(=O)CC(C)C)[C@H](C(N)=O)[C@H](C)O,0.24, 0.4133996903887964),6166,TRUE
CC(=O)n1ccc2cc(-c3cc4cc(C[C@H](N)C(=O)C=O)ccc4[nH]3)ccc21,0.24, 0.4148161238498236),6180,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(CC(=O)c3cc([C@@H]4CN(c5ccc(F)cc5Cl)CCN4)co3)cccc2c2ccccc12,0.24, 0.10524597508804553),6187,TRUE
CC(C)[C@@H](C=O)c1ccc2c(OC(C)(/C=C/C=O)NC(=O)c3nc4ccccc4[nH]3)nc3ccccc3c2c1,0.24, 0.11509321621729415),6194,TRUE
CCC[C@H](N)C(=O)C(=O)N[C@@H](C)C(=O)C(=O)N(c1nc2c(C)cccc2c(O)c1C[C@@H](C=O)C[C@@H](C)O)[C@@H](C)[C@@H](C)O,0.24, 0.14937317778997167),6201,TRUE
CNC(=O)/C=C/C(C)N[C@H](C=O)C(CCCN)Oc1nc2ccccc2c2c(-c3cccc(Cl)c3)cccc12,0.24, 0.13096402354053815),6208,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(N3CCCNC3=O)ccc(-c3ccc4[nH]c(C=O)cc4c3)c12,0.24, 0.12837676625481242),6215,TRUE
Cc1c(O)ccc(C=O)c1C1(c2cncs2)CC[C@H]2[C@@H](C[C@@H](N[C@@H](C)C(=O)C(N)=O)O[C@@H]2C)C1,0.24, 0.4058065444327542),6222,TRUE
CC(N)/C=C/C(=O)N[C@@H](C)C(=O)c1nc(C(N[C@H](C=O)[C@H](C)O)c2ccc3c(c2)OCO3)c(CCC=O)s1,0.24, 0.15402814856265615),6229,TRUE
CC(=O)n1ccc2cc(-c3c(C[C@H](N)C(=O)C=O)oc4cc(O)c(Nc5ccc(-c6ccccc6)cc5)c(O)c4c3=O)ccc21,0.24, 0.0996389211994734),6236,TRUE
[H]N(C(=O)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)C(=O)[C@@H](N)[C@@H](C)O)C(=O)c1ccco1,0.24, 0.2973771687431091),6243,TRUE
CC(/C=C/C=O)(NCc1cccc(C#N)c1)N[C@H](C=O)CC(C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.11739080823584226),6250,TRUE
C[C@H](Nc1cc(N[C@@H](Cc2cc3ccccc3s2)[C@@H](O)[C@H](O)[C@H](C)NC(C)(N)/C=C/C=O)sc1C=O)C(=O)C(F)(F)F,0.24, 0.08387829841992535),6257,TRUE
Cc1cccc2c(OC(=O)/C=C/C(C)N)cc(N(c3cnccc3Oc3nc4ccccc4c4ccccc34)[C@H](C=O)CC(N)=O)nc12,0.24, 0.07630125691764866),6264,TRUE
N[C@@H](Cc1ccc2c(ccn2C(=O)Cc2oc3cc(O)cc(O)c3c(=O)c2O)c1)C(=O)C(=O)Oc1ccc(O)cc1,0.24, 0.11152594288634643),6271,TRUE
[H]N[C@@H](Cc1ccc(F)cc1[H])C(=O)C=O,0.24, 0.5606098895947274),6278,TRUE
N[C@@H](Cc1c(-c2ccc(O)c(O)c2)c(-c2cccc([N+](=O)[O-])c2)cc2[nH]c(C=O)c(-c3ccc(O)cc3)c12)C(=O)C=O,0.24, 0.055532219741685616),6285,TRUE
C[C@H](O)[C@@H](C=O)Nc1ncc(-c2cc(-c3cccnc3)cc3c2c(C(C)(N)/C=C/C=O)nc2ccccc23)s1,0.24, 0.13798704851240143),6292,TRUE
CCC(N1CCn2cnnc2C1)C(Oc1nc2ccccc2c2ccccc12)(O[C@H]1CCOC1)[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)OC(C)C,0.24, 0.09206740154862218),6299,TRUE
CC(=O)N(C(=O)c1cc(C)on1)c1ccc2c(OC(C)(N)/C=C/C=O)nc3cccc(Cn4ccc5ncnc-5c4)c3c2c1,0.24, 0.11642156802184261),6306,TRUE
CC(N)(/C=C/C=O)NCc1c(CC=O)ccc2[nH]c(C=O)c(-c3ncsc3-c3ccc4c(c3)OCO4)c12,0.24, 0.16466177285180714),6313,TRUE
CC(/C=C/C(=O)N(C(=O)c1cc(C[C@H](N)[C@@H](C)O)co1)c1nc2ccccc2[nH]1)NC(=O)c1cnccn1,0.24, 0.24047403089269262),6320,TRUE
CC(C)NC(C)(/C=C/C=O)c1ccnn1C(c1c(O)c(Cl)cc(Cl)c1Cl)C1([C@H]2CN2)CCOC1=O,0.24, 0.14439916626421895),6327,TRUE
CC(N)(/C=C/C=O)n1nnc2cc(Oc3nc4cc(C[C@H](N)/C=C/C=O)ccc4c4ccccc34)ccc21,0.24, 0.1741110461603418),6341,TRUE
CC(N)(/C=C/C=O)C1C(=O)OCC1Oc1nc2cc(-c3cccc4ccccc34)ccc2c2ccccc12,0.24, 0.14064304247154544),6348,TRUE
CC(C)[C@H](NC(=O)C(=O)[C@@H](N)Cc1cccc([C@@H]2OC2NC(C)(C)C)c1)[C@@H](O)C[C@@H](C)C=O,0.24, 0.2111385831192127),6355,TRUE
Cc1c(-c2cc(CC(N)/C=C/C(=O)N(C)C)cn2C)ccc(Oc2nc3ccccc3c3ccccc23)c1O,0.24, 0.21167094372556955),6362,TRUE
CC(C)(C)[C@H](N)C(=O)N[C@@H](Cc1cccc(N)c1CC1CCOC1=O)C(=O)C=O,0.24, 0.2488715602682631),6369,TRUE
CCC(C)(C)NC(CC(=O)O)NC(C)(/C=C/C=O)OCc1cccc2cc(Oc3cccc(Cl)c3Cl)[nH]c12,0.24, 0.10186655385244107),6376,TRUE
Nc1cc(C[C@H](N)C(=O)C=O)c(C[C@@H](N)CC=O)cc1/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.06666984478530044),6383,TRUE
CC1(C)[C@H]2CN(C(=O)/C=C/C(N)(Cc3c(F)cc(F)cc3F)N[C@H](C=O)CCCC(=O)NC(=O)/C=C/c3ccc(Cl)cc3F)C[C@H]21,0.24, 0.12621227533410526),6397,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2C(c2cccc(C#N)c2)(C(F)F)N1c1cc(O)ccc1C[C@H](N)C(=O)C=O,0.24, 0.4336430898919373),6404,TRUE
O=CCN[C@@H](Cc1cccc(Cl)c1)C(=O)C=O,0.24, 0.5769660855157063),6411,TRUE
C=C(CC)C(=O)C1CCNC(=O)N1C(=O)C(=O)[C@H](C)N,0.24, 0.5331041815887992),6418,TRUE
Nc1ccc(Nc2cc(-c3ccno3)c3c(c2)c(Oc2cncc(CC(N)/C=C/C=O)c2)nc2ccccc23)cc1,0.24, 0.0844281626565933),6425,TRUE
CC(=O)n1c([C@@H]2C[C@H]2N)cc2cc(-c3c(CC(=O)[C@@H](N)CCC=O)cccc3SC(C)(N)/C=C/C=O)ccc21,0.24, 0.13453795163496457),6432,TRUE
C[C@H](N)C(=O)C(=O)N(C(=O)/C=C/c1ccc2c(c1)OCO2)[C@@H](CC(N)=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.12852960685110276),6439,TRUE
N[C@@H](Cc1ccc(C=O)s1)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3cccnn3)cccc12,0.24, 0.16085875074923645),6446,TRUE
CCCC[C@@H](C=O)Nc1c(O)ccc(-c2cc3cc(C[C@H](N)C(=O)C=O)ccc3n2C(C)=O)c1C[C@H](N)CCC=O,0.24, 0.11590434618585065),6453,TRUE
C[C@@H](O)[C@H](Nc1ccc2c(c1)nnn2-c1c(O)cc2occ(C[C@H](N)C(=O)C=O)c(=O)c2c1O)C(=O)[C@H](C=O)CO,0.24, 0.06906653941793621),6460,TRUE
[H]NC(C(=O)[C@@H](NC(=O)C(=O)[C@H](C)NC1CCCCC1)C(C)C)[C@@H](C)C(=O)N[C@@H](C=O)CO,0.24, 0.17826801889718186),6467,TRUE
CC(C)N[C@@H](C)C(=O)C(=O)N[C@H](C=O)C(Oc1cncc(Br)c1)C(C)(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.13176952594374441),6474,TRUE
CC(N)(/C=C/C=O)C1CC(N2C[C@@H]3[C@H](C2C2C(=O)OCC2c2ccccn2)C3(C)Cc2cccnn2)C1,0.24, 0.3337860104945238),6481,TRUE
CNC(=O)/C=C/C(C)(N)c1c(Cl)c(Cl)c(-c2c(F)cc(F)cc2F)c(N[C@@H](C)C=O)c1-c1ccc(Cl)cc1,0.24, 0.19923127555820688),6488,TRUE
N[C@@H](Cc1c([C@H]2CO2)ccc2c1c(O)nc1ccccc12)C(=O)C=O,0.24, 0.3184556862157742),6495,TRUE
CCCC1=C(O)OC(C(C)(O)C(C)NC(CC=O)[C@@H](C=O)NC(=O)C(=O)[C@H](C)NCc2cccc(C#N)c2)CC1=O,0.24, 0.1399353446436254),6502,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@@H](C)C(=O)N(C(NCC=O)c1ccc(Cl)cc1)[C@@H](C)C(=O)C(N)=O,0.24, 0.1890345830146147),6509,TRUE
C[C@@H](C=O)N(Cc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)C=O,0.24, 0.28824752555176947),6516,TRUE
[H]c1c(N)c(-c2ccccc2)cc2c1c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.24101010134253198),6523,TRUE
CC(N)(/C=C/C(=O)Nc1cc(Cl)cc(Cl)c1-c1ccccc1N)c1ccc(-c2ccc(/C=C/C=O)cc2)cc1,0.24, 0.11899612836076377),6530,TRUE
CC[C@@H](C1=C(O)OCCC1=O)c1ccc(-c2ccc3c(c2)[C@H](NC(C)(N)/C=C/C(=O)OC(C)(C)C(N)=O)[C@H](O)C3)cc1,0.24, 0.161347841902113),6537,TRUE
N[C@@H](C[C@@H]1[C@H]2CCC(Oc3nc4ccccc4c4ccccc34)[C@H]2CN1C(=O)c1ccco1)C(=O)C=O,0.24, 0.23475343237482685),6544,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3nccs3)ccc(-c3cccc(/C=C/C=O)c3)c2c2ccccc12,0.24, 0.10574941536000991),6551,TRUE
Cc1c(-c2ccno2)ccc2c(OC(=O)C(=O)[C@H](C)N)cc(Oc3nc4ccccc4c4ccccc34)nc12,0.24, 0.17212318081755326),6558,TRUE
CC(NC(C)(N)/C=C/C(=O)OC(C)(C)C(=O)NC(=O)/C=C/c1ccc(Cl)cc1F)C(=O)C(F)(F)F,0.24, 0.19723297836410267),6572,TRUE
Cn1ccc2nc(Cc3csc(CC(N)(/C=C/C(=O)Oc4cccc5[nH]c(C=O)cc45)N[C@H](C=O)CCCCN)n3)nc-2c1,0.24, 0.03414090160027755),6579,TRUE
Cc1cc([C@@H]2C[C@H]2N)cc(C)c1Oc1ccc(CC(N)(/C=C/C=O)c2ccco2)c(Cc2ccccc2)c1,0.24, 0.1960468915652115),6586,TRUE
C[C@@H](C(=O)C(=O)N[C@H]1c2ccc(C3CCCC3)cc2C[C@H]1O)N(C)C(=O)c1nc2ccccc2[nH]1,0.24, 0.47521908456035183),6593,TRUE
[H]NC1CC[C@@H]2[C@@H](CN[C@@H](C)C(=O)C=O)O[C@H](C)C[C@H]2C1Oc1nc2ccccc2c2ccccc12,0.24, 0.3065814909063057),6600,TRUE
N[C@@H](Cc1c(F)cc(F)cc1F)C(=O)C(=O)Oc1nc2cc(C(F)(F)F)ccc2c2ccccc12,0.24, 0.18615616122025685),6607,TRUE
CCCC[C@@H](C=O)Nc1ccc2ccccc2c1-c1cc2c(N[C@H](C=O)CCC=O)cc(C[C@H](N)C(=O)C=O)cc2[nH]1,0.24, 0.1051899300242433),6614,TRUE
N[C@@H](Cc1c[nH]nn1)C(=O)C(=O)Oc1nc2c(Oc3ccccc3)cccc2c2cc(-c3ccc(O)c(O)c3)ccc12,0.24, 0.09011801134522986),6621,TRUE
Nc1cc(C[C@H](N)C(=O)C=O)cc(Nc2ccccc2)c1,0.24, 0.4251870778746218),6628,TRUE
CC(N)(/C=C/C=O)c1ccc(CS(=O)C2=[SH]c3ncccc3N2)c(O)c1Cc1ccc2[nH]cnc2c1,0.24, 0.10923757606264238),6635,TRUE
N[C@@H](CC1CC2CCCCC2([C@H]2CN2)C(Oc2nc3ccccc3c3ccccc23)N1C[C@H]1OCC[C@H]2CCCC[C@H]12)C(=O)C=O,0.24, 0.14082905793157924),6642,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccc(-c3cccc(Nc4ccc(-c5ccccc5)cc4)n3)cc2c2ccccc12,0.24, 0.12360861311693593),6649,TRUE
CC[C@@H](C)[C@@H](C=O)N(C(=O)/C=C/C(C)(N)Sc1ncccn1)c1cc([C@@H]2CNCCN2)c(N)cc1Oc1ccccc1,0.24, 0.06086700261328764),6656,TRUE
Cn1nccc1-c1ccc(OC(C)(/C=C/C=O)NC(=O)c2cc([C@@H]3C[C@H]4CCCC[C@@H]4CN3)co2)cc1,0.24, 0.2608459674231109),6663,TRUE
CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N(C=O)C(=O)CNC(C)(/C=C/C=O)NC(C)C(C)O,0.24, 0.10600851443303115),6670,TRUE
[H]N[C@H](C(=O)[C@@H](CC(C)(C)Oc1nc2ccccc2c2ccccc12)C(=O)N[C@@H](C)C(=O)C=O)[C@@H](C)O,0.24, 0.15913557268919767),6677,TRUE
Cc1csc(SC[C@@H]2C[C@@H]3CCCC[C@@H]3CN2)c1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)C=O,0.24, 0.2765667579549082),6684,TRUE
CC(C)COC1CCC[C@@H]2C[C@@H](C[C@@H]3CCCN3)N(C(C)C(=O)NC(/C=C/C=O)Cc3cccc(Cl)c3)C[C@@H]12,0.24, 0.2734587328098904),6691,TRUE
Cc1cc(OC(=O)/C=C/C(C)(N)N[C@H](C=O)CC(C=O)N[C@H](C=O)[C@H](C)O)cc(N2CCOCC2)c1,0.24, 0.08594784510172859),6698,TRUE
Cc1cccc2c(Oc3cc(CC(N)/C=C/C=O)cc4c3OC(Oc3nc5ccccc5c5ccccc35)O4)ccnc12,0.24, 0.12127349774439959),6705,TRUE
Nc1ccc(Nc2c(S(=O)(=O)NC(=O)C(=O)[C@@H](N)Cc3ccccc3N)ccc(N)c2C2CCC2)cc1,0.24, 0.18042786860931073),6712,TRUE
[H]OC1(c2ccccc2)CCCC1Nc1cc(C[C@H](N)C(=O)C=O)oc1C=O,0.24, 0.4761109292913908),6726,TRUE
Cn1ccc(C(N)(/C=C/C(=O)Oc2nc3ccccc3c3cccc(CN4C(=O)C(=O)c5cc(F)ccc54)c23)Cc2ccc(C=O)o2)c1,0.24, 0.07118016783399723),6733,TRUE
[H]c1cc2c(nc(C)n2C)c([H])c1-c1cc(C=O)sc1C[C@H](N)C(=O)C=O,0.24, 0.5393365646673987),6740,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2c(N3CCn4cnnc4C3)ccc(-c3ccccc3[N+](=O)[O-])c12,0.24, 0.11011839840839237),6747,TRUE
Cc1noc(C)c1C(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N(C(=O)CCCCCN)C(=O)[C@@H](N)CO,0.24, 0.09616044318330899),6754,TRUE
CC(/C=C/C=O)(NCc1ccccc1)c1ccccc1NC(=O)[C@@H](N)C(C)(C)n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.18038893172036596),6761,TRUE
Nc1ccc(C[C@H](N)C(=O)C=O)c(-c2cc(=O)c3c(O)cc(O)cc3o2)c1Nc1ccccn1,0.24, 0.1557182934149476),6768,TRUE
N[C@@H](Cc1c(F)cc(F)c(Cc2nnccc2Oc2ccc(O)cc2)c1F)C(=O)C=O,0.24, 0.4161252654028158),6775,TRUE
C[C@H](Nc1cc(C[C@H](N)C(=O)C=O)sc1C=O)C(=O)Oc1nc2ccccc2c2cccc(N[C@H](C=O)CCCCN)c12,0.24, 0.04837569189850528),6782,TRUE
[H]C1CCCC2C[C@@H](C[C@H](N)C(=O)C=O)NCC12c1ccccc1,0.24, 0.643603733737338),6789,TRUE
CCCc1cc(C)c(Oc2nc3cc(-c4cccc5c4C[C@@H](O)[C@H]5NC(C)(N)/C=C/C=O)ccc3[nH]2)c(C)c1,0.24, 0.12935789473535098),6810,TRUE
CNC(C)(/C=C/C=O)N(Cc1ncsc1-c1cccc(C)c1)[C@H](C=O)CCCCNC(=O)c1cnc(C)cn1,0.24, 0.12721549149594583),6817,TRUE
[H]N[C@@H](Cc1cc2cc[nH]c2cc1[H])C(=O)C=O,0.24, 0.5860996805754763),6824,TRUE
Cc1oc(=O)oc1CNC(C)(/C=C/C(=O)Nc1ccc(N)cc1)Oc1cnc(Oc2nc3ccccc3c3ccccc23)c(Cl)c1,0.24, 0.06358432561145091),6831,TRUE
C=C(CC)C(=O)c1c(OCc2ccc3c(c2)nc(C)n3C)ccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.0879729726434483),6838,TRUE
N#Cc1cc(CC(N)/C=C/C=O)cc(-c2ccc(Oc3nc4ccccc4c4c(-c5ccc(Br)cc5)cccc34)cc2)c1,0.24, 0.10392318609441346),6845,TRUE
[H]C1(C(c2cc(=O)c3c(O)cc(O)cc3o2)[C@H](N[H])C(=O)C=O)CCCC1,0.24, 0.5535142001668945),6852,TRUE
COC(C)(/C=C/C=O)N[C@@H]1C[C@H]2CCCC(N(C(=O)c3cc4ccccc4[nH]3)S(=O)(=O)C3CC3)[C@@H]2[C@@H](C)O1,0.24, 0.2811217770761415),6859,TRUE
Cc1ccc(C(NC(C)C(=O)C(F)(F)F)[C@H](N)C(=O)C=O)cc1C(Oc1ccccc1)C(=O)c1ccco1,0.24, 0.2054084518601029),6866,TRUE
CC(C)(C)C1CCNC(=O)N1C1CC(C[C@H](N)C(=O)C=O)C(=O)O1,0.24, 0.4192072729824568),6873,TRUE
C[C@@H](O)[C@H](NC1CC1(Cc1ccc([N+](=O)[O-])c(-c2c[nH]cn2)c1)S(=O)(=O)NC(C)(N)/C=C/C=O)C(=O)[C@H](C=O)CO,0.24, 0.0346641400346018),6880,TRUE
C[C@@H](O)C[C@H](C=O)Cc1ccc(O)c([N+](=O)[O-])c1C[C@H](N)C(=O)C=O,0.24, 0.23051005512629855),6887,TRUE
C[C@H](N[C@H](C=O)CCCCN)C(=O)C(=O)NC1CC2CC(Oc3nc4ccccc4c4ccccc34)CCC2CN1,0.24, 0.11498644353660936),6894,TRUE
CC[C@@H](C=O)N(C(=O)/C=C/C(C)(N)OC(C=O)[C@H]1NCCC1CC(=O)[C@@H](N)CCC=O)c1ccon1,0.24, 0.1562878300704471),6901,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.45474966002437955),6908,TRUE
CC[C@@H](N)CC1C[C@@H]2[C@H](O1)OC(N[C@H](C=O)[C@@H](C)O)[C@@H]2OC(=O)C(=O)[C@H](C)NC(Nc1ccc(Cl)cc1)C(N)C(C)O,0.24, 0.0567384320481263),6915,TRUE
CC(N)(/C=C/C(=O)Nc1ccc(C(=N)N)cc1C(C=O)OP(=O)(O)O)Oc1nc2ccccc2c2ccccc12,0.24, 0.03151533181474122),6922,TRUE
C=C[C@@H]1C[C@H]1N(C(C)=O)c1c(S(=O)(=O)NC(=O)C(=O)[C@H](C)N)ccc(N)c1C[C@H]1COC(=O)C1C,0.24, 0.183337133293692),6929,TRUE
N[C@@H](Cc1ccc(F)cc1Oc1nc2ccccc2c2ccccc12)C(=O)C=O,0.24, 0.30715490065633094),6936,TRUE
CSc1cc(C)c(Nc2ccc(CC3CCOC3=O)c3c2c(OC(=O)C(=O)[C@H](C)N)nc2ccccc23)s1,0.24, 0.13299188921715416),6943,TRUE
CC(C)C[C@@H](C=O)C(=O)[C@@H](NC(C)c1cccc2c1nc(OC(C)(N)/C=C/C=O)c1ccc(Cc3ccc4c(c3)OCO4)cc12)[C@@H](C)O,0.24, 0.05040680372414634),6950,TRUE
N[C@H](C(=O)C=O)C(c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1,0.24, 0.3170707652024851),6957,TRUE
CCC(Nc1cc(O)c(O)cc1N([C@@H](CCC(=O)O)C(=O)C(F)(F)F)C(C)(N)/C=C/C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.02846807333325505),6964,TRUE
C[C@@H](O)[C@@H](C=O)NC(=O)/C=C/C(C)(N)c1cc(=O)c2c(O)c(-c3ccc([SH](=O)=O)nc3)c(O)cc2o1,0.24, 0.13328156100359595),6971,TRUE
CC(/C=C/C=O)(Nc1ccc(C=O)s1)N[C@H](C=O)CC(C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.11699460434398154),6978,TRUE
CSC(C)(N)/C=C/C(=O)N[C@@H](CC(Oc1nc2ccccc2c2ccccc12)C(N)=O)C(=O)C(F)(F)F,0.24, 0.20632555223424956),6985,TRUE
Cc1cccc2c(OC(Oc3nc4ccccc4c4ccccc34)([C@H](N)C(=O)C=O)[C@H]3C(C[C@@H](N)CC=O)OC(=O)C3C)ccnc12,0.24, 0.06679900811798983),6992,TRUE
C[C@H](N)[C@H](O)C(NC(C)(/C=C/C=O)Oc1ccccc1)Oc1nc2ccccc2c2cccc(N[C@H]3c4ccccc4C[C@H]3O)c12,0.24, 0.056518399985162074),6999,TRUE
CC(/C=C/C=O)NC(=O)C(OC[C@@H](N)C(=O)Oc1nc2ccccc2c2cccc(N[C@@H](C)[C@@H](O)C[C@H](C)N)c12)C(C)C,0.24, 0.07613066730948792),7006,TRUE
CC(C)C[C@@H](C=O)NC(=O)/C=C/C(C)(N)Oc1nc2cc(C(F)(F)C(=O)c3ccco3)ccc2c2cc([C@H]3CO3)ccc12,0.24, 0.056066569586632954),7013,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2ccc([H])cc2c2ccccc12,0.24, 0.45474966002437955),7020,TRUE
C[C@H](NCC=O)C(=O)C(=O)N[C@H](C=O)CC(CCN)(NS(=O)(=O)c1ccccn1)Oc1nc2ccccc2c2ccccc12,0.24, 0.06029792350487979),7027,TRUE
C[C@@H](CC(C=O)n1ccnn1)N(c1cc(O)ccc1Oc1nc2ccccc2c2ccccc12)C(C)(N)/C=C/C=O,0.24, 0.1014588729594052),7034,TRUE
[H]C(=O)C(=O)[C@H](Cc1cc(N)c(Cl)cc1Cl)N[H],0.24, 0.4842858957801904),7041,TRUE
CC(/C=C/C=O)(NC(=O)[C@@H](N)[C@H](O)Cc1ccc2[nH]c(C=O)c(CC=O)c2c1)Oc1nc2ccccc2c2ccccc12,0.24, 0.0757800311789305),7055,TRUE
CC(/C=C/C=O)N(C(=O)CC[C@H](N)C(=O)C(F)(F)F)C(=O)c1cc2c(OC(C)(C)C)c(Cl)ccc2[nH]1,0.24, 0.3676336113623991),7062,TRUE
Cc1noc(NC2(S(=O)(=O)N(c3c(O)c(Cl)cc(Cl)c3Cl)C(C)(N)/C=C/C=O)CC2)c1[N+](=O)[O-],0.24, 0.1030732030616786),7069,TRUE
N[C@H](C(=O)C(=O)Oc1cncc(Br)c1)C(NCC=O)c1ccccc1F,0.24, 0.37356920957606293),7083,TRUE
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)C(=O)N[C@H](C(=O)Oc1nc2ccccc2c2ccccc12)[C@H](C)O,0.24, 0.1824523856803694),7090,TRUE
C[C@@H](C=O)Nc1ccc2c(OC(C)(N)/C=C/C(=O)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)nc3ccccc3c2c1,0.24, 0.09446150790099885),7111,TRUE
CC(C)C[C@H](NC(C)(/C=C/C=O)NC(=O)c1cc2c(O)c(-c3ccc4[nH]ccc4c3)ccc2[nH]1)B(O)O,0.24, 0.07659885158232238),7118,TRUE
CC/C=C/C(=O)N(C(=O)C(=O)[C@H](C)NCc1ccccc1)[C@H](C=O)[C@@H](O)Cc1c(-c2cccs2)[nH]c2ccccc12,0.24, 0.12407025579510626),7125,TRUE
C[C@H](N)C(=O)C(=O)Nc1cc(Oc2nc3ccccc3c3ccccc23)c(Cl)c(Sc2ccccc2)c1,0.24, 0.17763085186831973),7139,TRUE
C[C@H](N)C(=O)C(=O)N1C[C@H]2[C@@H](C1c1sc(C(=O)[C@H](C)N)nc1Oc1nc3ccccc3c3ccccc13)C2(C)C,0.24, 0.1952618306261365),7153,TRUE
C#CC[C@H](N)C(=O)N([C@H](C=O)[C@@H](C)O)C(C)(C)c1ccc2c(OC(C)(N)/C=C/C=O)nc3ccccc3c2c1,0.24, 0.11259638566613643),7160,TRUE
CC[C@@H](C)[C@@H](C=O)NC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2cc(Oc3ccnc4c(C)cccc34)ccc12,0.24, 0.06625157080417016),7167,TRUE
C[C@@H](C=O)NC(CC(C[C@@H](C=O)NC(C)(/C=C/C=O)O[Na])Oc1nc2ccccc2c2ccccc12)c1cccnn1,0.24, 0.06717364931656915),7174,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2cccc(NS(=O)(=O)c3cccc(-c4ccc([N+](=O)[O-])cc4)n3)c12,0.24, 0.090725193794616),7181,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C(=O)Oc1nc2ccccc2c2cccc(N(c3cc(F)c(F)cc3F)[C@@H](C)[C@@H](C)O)c12)[C@@H](C)O,0.24, 0.09129591416825757),7195,TRUE
Cc1cccc2c(-c3c(O)cc4oc(CC5(S(=O)(=O)NC(C)(N)/C=C/C=O)CC5)c(O)c(=O)c4c3O)ccnc12,0.24, 0.1204602198125583),7202,TRUE
[H]Nc1cc(O)c(Cl)c(Cl)c1-c1cc(C[C@H](N)C(=O)C=O)oc1C(C)=O,0.24, 0.30049427789720895),7209,TRUE
CC(=O)C(=O)C(NC(C)[C@H](N)C(=O)N(C(=O)C(=O)[C@@H](N)Cc1ccc(N)cc1)C(C)(C)C(C)c1ccc(F)cc1Cl)[C@@H](C)O,0.24, 0.15049544927311234),7216,TRUE
CC(C)C(Oc1nc2ccccc2c2c(-c3cccc(/C=C/C=O)c3)cccc12)[C@H](N)C(=O)NC(C)(/C=C/C=O)O[Na],0.24, 0.08298104462521368),7223,TRUE
N[C@@H](Cc1cncc(Br)c1C[C@H](N)C(=O)C(F)(F)F)C(=O)C(=O)Nc1ccccc1,0.24, 0.4886151279180979),7230,TRUE
CC(C=O)NC(=O)/C=C/C(C)(N)OC[C@H]1C(Oc2nc3ccccc3c3ccccc23)OC(=O)C1(C)c1cccc(N)c1,0.24, 0.06327461691962032),7237,TRUE
Cc1csc(-c2cccc3c2nc(OC(=O)C(=O)[C@H](C)N)c2c(Nc4cccc(-c5c(C)noc5C)c4)cccc23)n1,0.24, 0.12137651369722967),7244,TRUE
CC(C)C[C@@H](C(=O)NC(C)/C=C/C(=O)N(C(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)C(=O)c1nccs1)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.0690384668113364),7251,TRUE
CC(=O)[C@H](CCC(=O)O)N(C(=O)C(=O)[C@H](C)N)c1cc(Nc2cc(Cl)cc(Cl)c2)ccc1N,0.24, 0.2887556679582168),7258,TRUE
CC(/C=C/C=O)NC[C@H]1O[C@H](C)C[C@H]2C(O[C@@H]3COC(N[C@@H](C)/C=C/C=O)C3)C(c3ccc(/C=C/C=O)cc3)CC[C@H]12,0.24, 0.250802637565343),7265,TRUE
Cc1cccc(C)c1C[C@H](NC(=O)[C@H](CC(C)C)C(=O)[C@@H](N)[C@H](O)CC1CCC1)C(=O)C(=O)Nc1ccccc1,0.24, 0.20962124882172836),7272,TRUE
CCc1c(CC(/C=C/C=O)(NCc2cccnc2)c2oc3cc(O)cc(O)c3c(=O)c2O)ccoc1=O,0.24, 0.1968246340682537),7286,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1c(C)csc1SCc1cscn1,0.24, 0.4805020869029476),7293,TRUE
CC(/C=C/C=O)(NCc1cccc(Cl)c1-c1cccc(C#N)c1)c1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.20119015968311774),7300,TRUE
CC(/C=C/C=O)NC(c1cc(B(O)O)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1NC1CCCC1c1ccc2[nH]cnc2c1,0.24, 0.05698077999472216),7307,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cccc(Nc3cccc(C[C@H](N)C(=O)c4nccs4)c3)c12,0.24, 0.10852468814391009),7314,TRUE
CCCC[C@@H](C=O)Nc1cc(CN(C2CCC2)[C@@H](C)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)ccc1Cl,0.24, 0.07724034673722512),7321,TRUE
CC[C@@H](C=O)Nc1ncc(CC(/C=C/C=O)NCc2cccc(C#N)c2)cc1-c1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.12392651698935825),7328,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.45474966002437955),7335,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](CCCC(N)=O)C(=O)Nc1ccc(Cl)c(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.15934596388101452),7349,TRUE
CC(O)C(C)(Nc1cccc2c1c(OC(=O)C(=O)[C@H](C)N[C@H]1CO1)nc1ccccc12)c1ccc2cc[nH]c2c1,0.24, 0.09417544425384582),7356,TRUE
[H]N[C@@H](Cc1cccc(/C=C/C=O)c1)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.4828031260308269),7363,TRUE
N[C@@H](Cc1cc(/C=C/C(=O)Oc2nc3ccccc3c3cc(-c4ccc5[nH]ccc5c4)ccc23)ccc1O[Na])C(=O)C=O,0.24, 0.06003117118720937),7370,TRUE
CC(/C=C/C=O)N(Cc1csc(NCC(Oc2nc3ccccc3c3ccccc23)[C@H](N)C=O)n1)C1CCCC1,0.24, 0.13245075617286164),7377,TRUE
CC1(S(=O)(=O)Nc2cc(CC(N)/C=C/C=O)cc(O[C@H]3CO[C@H]4OCC(Sc5ccccc5)[C@H]43)c2)CC1,0.24, 0.3260949727490464),7384,TRUE
Cc1cc(O)cc(C[C@H]2COC(=O)C2(C)c2ccccc2)c1-c1cccc2cccc(C[C@H](N)C(=O)C=O)c12,0.24, 0.19540154854695269),7391,TRUE
[H]N[C@@H](C)C(=O)C(=O)N(c1ccc2c(O)cc([H])nc2c1C)[C@H](C(=O)C[C@@H](C)C=O)C(C)C,0.24, 0.463675752503449),7398,TRUE
CC[C@@H](C)[C@@H](C=O)NC(NC(/C=C/C=O)(Cc1c(SC)sc(CC2C(=O)OC[C@@H]2C)c1C)NC)[C@@H](O)[C@H](C)N,0.24, 0.060971694761855336),7412,TRUE
CC(C)CN[C@H](C(=O)C=O)C(Oc1nc2c(Nc3ccc(Cl)cc3)cccc2c2ccccc12)c1cc(-c2ccccc2)co1,0.24, 0.08070122028103512),7419,TRUE
NC1CNC(Oc2cc(O)c3c(=O)c(O)coc3c2)(Oc2nc3ccccc3c3ccccc23)CN1C1N[C@H]1C[C@H](N)C(=O)C=O,0.24, 0.04412083836816524),7426,TRUE
CC(C)[C@H](N)C(=O)C[C@H](C=O)CC1C(N)[C@H]2CCCC[C@@H]2CN1c1cc2c(C[C@H](N)C(=O)C=O)cccc2[nH]1,0.24, 0.2363741223754206),7433,TRUE
CC(N[C@@H](Cn1nnc2cccc(C[C@H](N)C(=O)c3nccs3)c21)C(=O)C=O)c1cc(O)c(O)c(O)c1,0.24, 0.08198626799640596),7440,TRUE
[H]N[C@@H](CC1C(=O)OC[C@@H]1[H])C(=O)C=O,0.24, 0.34588061532193143),7447,TRUE
CNc1sc(CC(N)(/C=C/C=O)C2CCCC2N2CCCC2Oc2nc3ccccc3c3ccccc23)nc1C,0.24, 0.15180214691637145),7454,TRUE
C#CC[C@@H](C=O)NC(C=O)Cc1c(N)ccc2c1c(OC(=O)C(=O)[C@@H](N)Cc1ccc3cc[nH]c3c1)nc1ccccc12,0.24, 0.04361180079810202),7461,TRUE
C[C@H](Nc1cc2c(cc1C(CC=O)c1ccc3[nH]ccc3c1)c(OC(C)(N)/C=C/C=O)nc1ccccc12)[C@@H](C)O,0.24, 0.0730861502503938),7468,TRUE
CC(N)/C=C/C(=O)N(C(=O)c1ccc(Cl)s1)[C@@H](C)C(=O)c1nc(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)cs1,0.24, 0.24533380776731448),7482,TRUE
C[C@H](CC(=O)N(C=O)C(=O)/C=C/C(C)(NCc1ccccc1)Oc1nc2ccccc2c2ccccc12)NC(=O)c1cc2ccccc2[nH]1,0.24, 0.06358137698431951),7489,TRUE
C[C@H](N)C(=O)C(=O)NS(=O)(=O)C1CC1n1nnc2cc(Oc3nc4ccccc4c4ccccc34)ccc21,0.24, 0.23812487429752166),7496,TRUE
Cc1cccc(C)c1CN(C)C(=O)/C=C/C(C)(N)c1cc(Oc2nc3ccccc3c3ccccc23)cc(O)c1C,0.24, 0.16677093054922884),7503,TRUE
C[C@H](NCC[C@H](N)C=O)C(=O)C(=O)Oc1nc2ccccc2c2cccc(N[C@H](C=O)CCC=O)c12,0.24, 0.13091385687740004),7510,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](CNC(C)(/C=C/C=O)Oc2nc3c(N4CC[C@@H]5CCCC[C@@H]5C4)cccc3c3cc(C(F)(F)F)ccc23)O1,0.24, 0.11250065397045121),7524,TRUE
N[C@@H](Cc1cc(C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)cc2cc(C=O)[nH]c12)C(=O)C=O,0.24, 0.10467100692896365),7531,TRUE
Cc1cc(O)ccc1N[C@@H](CCc1c(C(C)(N)/C=C/C=O)ccc(/C=C/C=O)c1N1CC[C@H]2CCCC[C@@H]2C1)C(=O)O,0.24, 0.15163148346802938),7538,TRUE
CCOC1CCCC1N(C(=O)c1[nH]c2ccccc2c1-c1cc(O)c2c(=O)ccoc2c1)C(C)(/C=C/C=O)NCC=O,0.24, 0.13740930967961737),7545,TRUE
N[C@@H](Cc1c(-c2ccccc2F)ccc(Cl)c1C[C@@H](N)CC=O)C(=O)C=O,0.24, 0.504531854993249),7552,TRUE
[H]N(Cc1nc2ccccc2n1C)[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2cccc(C[C@H](N)CCC=O)c12,0.24, 0.1127400934557653),7559,TRUE
COc1c(Cc2ccc3c(c2)OCO3)cc(SC)c2c1c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.17080870882798632),7566,TRUE
N[C@H](C(=O)C=O)C([C@H]1NCCNC1c1cc(O)c(O)c(O)c1)N(c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl,0.24, 0.0723761269206425),7573,TRUE
N[C@@H](Cc1c(N2CCNCC2)oc2cccc(O)c2c1=O)C(=O)C=O,0.24, 0.4911437793306776),7580,TRUE
Cc1nc(-c2c(F)ccc(-c3ccc4c(OC(C)(N)/C=C/C=O)nc5cc([C@H]6CN6)ccc5c4c3)c2Cl)cs1,0.24, 0.0754664769727393),7587,TRUE
CC1CCN(c2ccnc(C(C)(N)C(C)(C)N(C(=O)C(=O)[C@H](C)NCc3ccc(Cl)cc3)C(=O)c3cccs3)c2)CC1,0.24, 0.2962328239949057),7594,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(N[C@@H](C)C(=O)C(F)(F)F)cc(Cc3ccccc3)cc2c2ccccc12,0.24, 0.19510176603775015),7608,TRUE
C[C@H](N[C@@H]1C[C@H]2CCCC(O[C@H]3CCOC3)[C@@H]2[C@@H](C)O1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.2687349953852503),7622,TRUE
CCCc1c(N(C(=O)CCc2nc(S)[nH]c(=O)c2C#N)[C@H](C=O)CO)cc(O)c2c(=O)c(O)c(C(C)(N)/C=C/C=O)oc12,0.24, 0.07228985403252843),7629,TRUE
CCCc1c2c(OC(=O)C(=O)[C@H](C)N)nc3c(SC)cccc3c2ccc1,0.24, 0.30144472888036417),7636,TRUE
[H]N(c1cc(Cl)cc(Cl)c1)C1CO[C@@H]2OC[C@H](OC(=O)C(=O)[C@H](C)N)[C@H]12,0.24, 0.5830132994206115),7643,TRUE
Cc1c(O)cccc1C(C)(/C=C/C(=O)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)NC(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.0981539500391036),7650,TRUE
CC1(C)[C@H]2C(c3cccs3)N[C@H](C(c3oc4cccc(O)c4c(=O)c3O)([C@H](N)C(=O)C=O)n3nnc4ccccc43)[C@H]21,0.24, 0.16426224558080413),7657,TRUE
CC[C@@H](C=O)Nc1cc(Nc2ccc(OC(C)(N)/C=C/C=O)cc2)cc(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.0639214903161602),7664,TRUE
CC(/C=C/C=O)(NC(C=O)CCC(=O)O)N(C(=O)[C@@H](N)CC(N)=O)S(=O)(=O)c1cccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)n1,0.24, 0.05878657621511398),7671,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cc(-c3cccnn3)cc(-c3cccc(Cl)c3Cl)c12,0.24, 0.18262823245312934),7678,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(Nc3ccc(-c4ccccc4)cc3)cccc2c2cc(-c3ccccc3N)ccc12,0.24, 0.08553125965632628),7685,TRUE
CC(=O)n1cc(Oc2nc3ccccc3c3ccccc23)c2cc(C3CC[C@@H]4CN[C@H](NC(C)/C=C/C=O)C[C@@H]4C3)ccc21,0.24, 0.11787297709944193),7692,TRUE
C[C@@H](C(=O)C=O)N(CC[C@@H](N)Cc1cscn1)Cc1ccc(Cl)cc1-c1cccnc1Nc1cc(Cl)cc(Cl)c1,0.24, 0.12544485665714242),7706,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NC(C)(/C=C/C=O)Oc1nc2cccc(CC=O)c2c2ccccc12,0.24, 0.14861951107796245),7720,TRUE
C[C@H]1COC(=O)C1c1cc(C[C@H](N)C(=O)C=O)oc(=O)c1-c1ccc(O)cc1Cc1cc(=O)c2c(O)cc(O)cc2o1,0.24, 0.1351863956315654),7727,TRUE
CNc1c(O)c(CC(=O)c2ccco2)c2occ(C(C3CCCCC3N[C@@H](C=O)CO)[C@H](N)C(=O)C=O)c(=O)c2c1O,0.24, 0.07198796915211768),7734,TRUE
CC(N)(/C=C/C(=O)Oc1ccc(O)c(Oc2nc3ccccc3c3ccccc23)c1NS(=O)(=O)C1CC1)Oc1ccc(N2CCCC2)cc1,0.24, 0.04569370272310153),7741,TRUE
CC(C)CNC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1cc(-c2nc3ccccc3c3ccccc23)c(C(=O)CF)o1,0.24, 0.0682252779168327),7755,TRUE
C[C@H](NCc1cnccc1CCC(=O)Oc1cncc(Cl)c1)C(=O)C(=O)NC1CC1N([C@@H](C)C(=O)C=O)[C@@H]1CCCN1,0.24, 0.15319095332285337),7762,TRUE
C[C@@H](O)[C@H](N)C(=O)[C@@H](CC(C)(C)Oc1ccccc1)C(=O)NC(C)(/C=C/C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.06873428705196308),7769,TRUE
Cc1csc(-c2cc(NC(=O)/C=C/C(N)Cc3cc4ccccc4s3)cc(C[C@H](N)CCC=O)c2C(=N)N)n1,0.24, 0.07401142806023868),7783,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(NC(=O)C[C@H](O)C=O)c(Oc3ccccc3)c(CC3CCOC3=O)cc2c2ccccc12,0.24, 0.09963955616427175),7790,TRUE
CC(N)(/C=C/C=O)OC(Oc1nc2ccccc2c2ccccc12)(c1oc2cccc(O)c2c(=O)c1O)[C@@H](N)C=O,0.24, 0.09050608791871115),7797,TRUE
CSc1cc(C)c(-c2ccc(Oc3nc4ccccc4c4ccccc34)cc2NC(=O)/C=C/C(C)(N)NC(C)C=O)s1,0.24, 0.051116749983513794),7804,TRUE
CC(=O)C(=O)C(NC1(Nc2cccc(Oc3nc4ccccc4c4ccccc34)n2)CCNC(=O)N1)[C@@H](C)O,0.24, 0.1252877662059042),7811,TRUE
CCCC1=C(O)OC(C(CCc2cc(O)ccc2C[C@H](N)C(=O)C=O)c2ccc(O)c(Cl)c2Cl)CC1=O,0.24, 0.2328891683051574),7818,TRUE
CCC(CNC(=O)C(N[C@@H](C)C=O)[C@H](N)C(=O)NC(C)/C=C/C=O)n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.16919270091491265),7825,TRUE
CC(/C=C/C=O)NC(=O)c1cc(Oc2ccnc3c(CC4(N)CC4Oc4nc5ccccc5c5ccccc45)cccc23)c(Cl)s1,0.24, 0.09025815491999635),7832,TRUE
Cc1ccc(N2C[C@H]3CCC[C@H]3C2)c2c(C[C@@H](O)[C@H](NC(=O)/C=C/C(C)N)C(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)ccnc12,0.24, 0.3026485341286898),7839,TRUE
CC(N)(/C=C/C=O)c1ccc([C@@H]2OC2Oc2nc3ccccc3c3ccccc23)cc1N(c1ccc2c(c1)OCO2)C1CCC1,0.24, 0.08211978848575564),7846,TRUE
CC(C)C[C@H](N)C(=O)N(C(=O)[C@H](C)C[C@H](O)[C@@H](N)C(C)C)[C@@H](C)C(=O)C(N)=O,0.24, 0.3395084696020836),7860,TRUE
CC(C)C[C@H](C(=O)[C@@H](N)[C@@H](C)O)C(=O)N(C(=O)c1sccc1Nc1ccc(N)cc1)C(C)(/C=C/C=O)N[C@@H](C)C=O,0.24, 0.06840485604169078),7867,TRUE
CC(=O)n1ccc2cc(-c3cc(N[C@@H]4C[C@H]4C(c4nc5ccccc5c5ccccc45)[C@H](N)C(=O)C=O)cc4nc(C)n(C)c34)ccc21,0.24, 0.11043450359200382),7874,TRUE
CC(NCc1ccc(Cl)cc1)(Oc1nc2ccccc2c2ccccc12)C(=O)C(N)=O,0.24, 0.26097945463326383),7881,TRUE
CC(N)(/C=C/C=O)c1ccc(Oc2nc3ccccc3c3ccccc23)c(CCCc2ccnc(S)n2)c1,0.24, 0.07722663016903378),7888,TRUE
CC(N)/C=C/C(=O)N[C@@H](CCCCN)C(=O)Oc1nc2ccccc2c2cc(C(=O)O)c(Nc3ccccc3Cl)cc12,0.24, 0.06666062619815968),7902,TRUE
Cc1nc(CC(N)(/C=C/C=O)Oc2ccccc2)sc1C1CCCC1N[C@H]1c2ccccc2C[C@H]1O,0.24, 0.2279773801681432),7909,TRUE
N[C@@H](Cc1cc(-c2ccc([N+](=O)[O-])cc2)cc(Cl)c1-c1cc(O)c2c(O)nc3ccccc3c2c1)C(=O)C=O,0.24, 0.08194397333049087),7916,TRUE
C[C@H](NC1(c2cccc(Cl)c2NC(=O)C(=O)[C@@H](N)Cc2c(F)cc(F)cc2F)CC1)C(=O)C(F)(F)F,0.24, 0.33357576350429535),7923,TRUE
Cc1cccc(C)c1C(c1ccc([SH](=O)=O)nc1)[C@H](N)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1,0.24, 0.33266881597305065),7930,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccc(N3CCCC3)cc2c2cc(OC(C)(C)C(N)=O)ccc12)NCC=O,0.24, 0.12069851673916887),7937,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc(Oc2nc3ccccc3c3ccccc23)ccc1N,0.24, 0.22788357667921355),7951,TRUE
C[C@H](N)C(=O)C(=O)NS(=O)(=O)C1(C)CC1Oc1cccc2[nH]c(C=O)cc12,0.24, 0.4509078032146597),7965,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C(=O)C(F)(F)F)C(CC(N)=O)Sc1ccccc1-c1ccc(O)c(Cl)c1Cl,0.24, 0.25457124218343824),7972,TRUE
CC[C@@H](C)[C@@H](C=O)NC(=O)/C=C/C(C)(N)c1cc(Nc2onc(C)c2[N+](=O)[O-])c(C[C@@H](C=O)C[C@@H](C)O)c(C(F)F)c1Cl,0.24, 0.08684699516134199),7979,TRUE
CC1(C)[C@H]2CN(C3CCC(C(c4cccc(N5CCNCC5)c4)[C@H](N)C(=O)C=O)CC3)C[C@H]21,0.24, 0.4887086930790173),7986,TRUE
CC(=O)N(C(C)(C)C)C(N)(/C=C/C(=O)O[Na])Cc1cc(CC(=O)[C@@H](N)CCC=O)c(/C=C(/C=O)Nc2csc(C)n2)o1,0.24, 0.11614489558173904),7993,TRUE
Cc1ccc(Oc2nc3ccccc3c3ccccc23)c(-c2c(O)ncs2)c1C[C@H](N)C(=O)C=O,0.24, 0.1910215338960011),8000,TRUE
Nc1ccc(Nc2ccc(-n3c(S)nnc3C[C@H](N)C(=O)C=O)c(N3CCC4CCCCC4C3)c2)cc1,0.24, 0.15379083755648532),8007,TRUE
CC(C)[C@H](N)[C@@H](O)C(c1oc2cc(O)cc(O)c2c(=O)c1O)[C@@H](C)C(=O)NC(C)(/C=C/C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.051078792178691566),8014,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(Oc3cccc(N4CCOCC4c4ccc(O)c(Cl)c4Cl)c3)cccc2c2ccccc12,0.24, 0.11616195666828659),8021,TRUE
CC(C)(C)OC(=O)/C=C/C(C[C@H]1NCCC1c1ccc(Cl)cc1)(NCc1cscn1)c1cc(F)c(F)cc1F,0.24, 0.1697064502535609),8028,TRUE
CC(N)(/C=C/C=O)Nc1ccc(Nc2ccc(-c3cc([N+](=O)[O-])ccc3CC(=O)[C@@H](N)CCC=O)cc2/C=C/C=O)cc1,0.24, 0.061536853665062424),8035,TRUE
CC[C@H](C)c1c(B(O)O)cc([N+](=O)[O-])cc1-c1ccc(C(C)(/C=C/C=O)NCc2ccccc2)c(Cl)c1Cl,0.24, 0.09447759696179771),8042,TRUE
[H]C1CNC(N2CCC(C)CC2[H])CN1C(=O)C(=O)[C@H](C)NCC(O)C(C)N,0.24, 0.41426059819188027),8056,TRUE
CC(/C=C/C=O)(NC(=O)c1nc2ccccc2[nH]1)c1cc(N2CCOCC2)ccc1N=Cc1ncoc1O,0.24, 0.18453625297201467),8063,TRUE
CC(CCN[C@@H](C)C(=O)C(=O)O[C@@H]1COC(Oc2nc3ccccc3c3ccccc23)(c2c(F)cc(F)cc2F)C1)Nc1ccc(N)cc1,0.24, 0.05987719280954401),8070,TRUE
C#CC[C@H](N)C(=O)NC(C)(/C=C/C=O)N[C@H](C(=O)Oc1cc(C)cc(Oc2nc3ccccc3c3ccccc23)c1)[C@H](C)CC,0.24, 0.03536529459726233),8084,TRUE
CC(C)CC(=O)N(C(=O)C(N)CC(N[C@H](C(=O)[C@H](C=O)CC(C)C)[C@@H](C)O)C(=O)O)[C@@H](C)CCN(Cc1cccc(C#N)c1)C(C)/C=C/C=O,0.24, 0.07387262649769737),8091,TRUE
C[C@H](NC1C(=O)OC[C@@H]1C)C(=O)C(=O)OC(NC[C@@H](O)[C@H](C)N)C(N)=O,0.24, 0.14776301069712922),8098,TRUE
[H]C(=O)C(=O)[C@H](C)N[C@@H]1C[C@H]2CCCC[C@@H]2CN1,0.24, 0.5631595038153203),8105,TRUE
[H]N(C(=O)C(=O)[C@H](C)N)C(CCC(=O)O)C(=O)NC(C)(/C=C/C=O)Oc1ccc(O)cc1,0.24, 0.1263029917661193),8112,TRUE
C[C@H](NC(C)(N)/C=C/C=O)[C@@H](O)C[C@@H](N)Cc1c(F)cc(F)c(F)c1Nc1ccc(Cl)cc1N[C@@H](CCC=O)C(=O)C(F)(F)F,0.24, 0.04728391990589355),8126,TRUE
[H]OC(=O)C(=O)[C@H](Cc1cccc([N+](=O)[O-])c1)N[H],0.24, 0.4261773484161127),8154,TRUE
CCc1cccc2c1c(OC(C)(/C=C/C=O)N(C(C)=O)C(=O)[C@@H](NCC(N)=O)C(C)C)nc1ccccc12,0.24, 0.17231551130137088),8161,TRUE
CSc1cc(C)c(-c2ccc([N+](=O)[O-])c(-c3oc4cc(O)cc(O)c4c(=O)c3O)c2C[C@H](N)C(=O)C=O)s1,0.24, 0.08082474643598454),8168,TRUE
CCCc1cc(-c2sc(C[C@H](N)C(=O)C(=O)OC(C)(C)C(N)=O)nc2C)c(O[C@H]2CCOC2)c(O)c1O,0.24, 0.18812861099462996),8175,TRUE
CC(=O)N(C=O)C(C)(/C=C/C=O)NC(=O)[C@@H](CC(C)C)NC(Oc1cc(O)c2c(=O)c(O)coc2c1)c1cc(-c2ccccc2)n(C)c1,0.24, 0.08821521624711695),8182,TRUE
C[C@@H](C=O)Nc1cccc2c1c(OC(OC(N)(/C=C/C=O)Cc1ccccc1)[C@@H](N)C=O)nc1ccccc12,0.24, 0.103317326870575),8189,TRUE
NC(=O)CCC[C@@H](C=O)NC1COCCN1c1ccc(/C=C(/C=O)NC(=O)/C=C/C(N)Cc2ccccc2)o1,0.24, 0.19140463251770068),8196,TRUE
Cc1nc(-c2ccc3c(OC4CC(C(C)(N)/C=C/C=O)C4)nc4ccccc4c3c2)sc1-c1ccccc1N,0.24, 0.10421128086725465),8203,TRUE
CC(N)(/C=C/C(=O)Nc1ccc(C(=N)NC(=O)c2ccc(Cl)s2)cc1)c1cc(=O)c2c(O)c(CCCC(=O)O)c(O)cc2o1,0.24, 0.0740229918558325),8210,TRUE
CC(C)C[C@@H](C=O)C(=O)[C@@H](Nc1ccc(Nc2cc(CC=O)c(Cl)c(C(C)(N)/C=C/C=O)c2)cc1Oc1ccc(O)cc1)[C@@H](C)O,0.24, 0.06800422207278282),8217,TRUE
CC(/C=C/C=O)(NCC(N)=O)Oc1ccc(-c2ccn(Cc3ccc(C=O)o3)c2)c(CC(=O)c2occc2C(=O)O)c1,0.24, 0.08253036828367177),8224,TRUE
C[C@H](N)C(=O)C(=O)Oc1cccc2c1cc(C=O)[nH]2,0.24, 0.3661864404648328),8231,TRUE
CC(C)C[C@@H](C=O)Nc1c(F)ccc(-c2cc3[nH]c(C=O)cc3c(C[C@H](N)C(=O)C=O)c2-c2ccccc2Cl)c1Cl,0.24, 0.1281542180594007),8238,TRUE
[H]N[C@@H](Cc1ccc(Cl)c([H])c1)C(=O)C=O,0.24, 0.5966849636893404),8245,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cc(Nc3nc4ccc(CC(=O)c5ccco5)cc4[nH]3)ccc12,0.24, 0.10782086269663677),8252,TRUE
CC(N)(/C=C/C(=O)Oc1cnc(-c2ccc(Br)c(Oc3nc4ccccc4c4ccccc34)c2)c(Cl)c1)c1ccc(F)cc1,0.24, 0.1037419868312504),8259,TRUE
C[C@@H]1C[C@H]2C(N[C@@H](C=O)CO)CCC[C@@H]2CN1C(=O)C(=O)[C@@H](N)Cc1cccc(C#N)c1,0.24, 0.39658720239795114),8266,TRUE
Cc1noc(C)c1C(Nc1cc(Oc2nc3ccccc3c3ccccc23)ccc1Cl)C(C)(C)OC(=O)/C=C/C(C)(N)O[Na],0.24, 0.05451932139667878),8273,TRUE
CC(N)(/C=C/C(=O)Nc1ccc(Cl)cc1)N[C@H](C=O)CC(C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.1135361183144936),8280,TRUE
[H]C([H])c1cc(O)ccc1C[C@H](N)C(=O)C=O,0.24, 0.5507225116986991),8287,TRUE
CC(N)/C=C/C(=O)N[C@@H](C)C(=O)NN(CCC(N)=O)C(=O)Oc1nc2ccccc2c2cccc(NC3CCCCC3)c12,0.24, 0.1356536466576605),8294,TRUE
CC(/C=C/C=O)(Oc1nc2ccccc2c2ccccc12)N(CC=O)C(=O)CC[C@H](N)C(=O)C(F)(F)F,0.24, 0.17964196440671276),8301,TRUE
C[C@H](N)C(=O)C(=O)OC(Oc1nc2ccccc2c2ccccc12)C(N)=O,0.24, 0.2875122741351342),8308,TRUE
C[C@H]1O[C@@H](Oc2c(F)cc(F)c(-c3ccc4c(OC(=O)/C=C/C(C)(N)NC5CC5)nc5ccccc5c4c3)c2F)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.08363315875687806),8315,TRUE
Cc1nc(CC(/C=C/C=O)NCc2oc(=O)oc2C)sc1-c1oc2c(-c3cccs3)c(O)cc(O)c2c(=O)c1O,0.24, 0.14324770641929363),8322,TRUE
Cc1noc(Nc2cc(CC(N)(O)C(C)NC(=O)C(=O)[C@H](C)N)ccc2N)c1[N+](=O)[O-],0.24, 0.09953022611254751),8329,TRUE
N[C@@H](CC1CC2CCCC(O)C2CN1)C(=O)C=O,0.24, 0.4692449300078052),8336,TRUE
[H]C1CN[C@H](C(NC(=O)/C=C/C(C)(N)Sc2ccccc2)(C(=O)C(C)=O)[C@@H](C)O)CN1C(=O)c1cc2ccccc2[nH]1,0.24, 0.1059828571100622),8343,TRUE
CC(C)Oc1ccc(OC(CC(=O)O)Cc2cnoc2C(C)(/C=C/C=O)NC2CCOC2=O)c(Cl)c1Cl,0.24, 0.21108164381130431),8357,TRUE
N[C@H](C(=O)C=O)C(O)c1ccc(Br)c(-c2ccc(Cl)c(CC3CCOC3=O)c2Cl)c1,0.24, 0.3315093605025099),8364,TRUE
[H]c1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3cccc(-c4c(O)c(Cl)cc(Cl)c4Cl)c3c2c1,0.24, 0.16875959134967636),8378,TRUE
Cc1cccc(C)c1C(C)(N)/C=C/C(=O)N(C(=O)CC(C)C)[C@@H](C)C(=O)c1nc(NC(C)(C)C)cs1,0.24, 0.34548415044233266),8385,TRUE
CC(N)(/C=C/C(=O)N(C(=O)c1ccc(Cl)o1)c1c(Oc2ccc(O)cc2)c(Cl)cc(Cl)c1-c1ccco1)NC=O,0.24, 0.11705741518942055),8392,TRUE
[H]C(NCc1cc(Oc2nc3ccccc3c3ccccc23)c2c(c1)nc(C)n2C)(c1nccs1)[C@H](N)C(=O)C=O,0.24, 0.15001307150630133),8413,TRUE
CC1C(=O)OC[C@@H]1N[C@@H](C[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C=O,0.24, 0.23396090234442232),8420,TRUE
CC(/C=C/C=O)(N[C@H](C=O)CCCCN)NS(=O)(=O)c1ccc(N)cc1-c1cncc(Br)c1,0.24, 0.09933697142116844),8427,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccc([C@@H](C=O)Nc3cncc(Br)c3)cc2c2cc(-c3cccc(Cl)c3)ccc12,0.24, 0.0793585785191197),8434,TRUE
CC[C@@H](C=O)Nc1cccc2c1nc(Oc1cc(CC(N)/C=C/C=O)cc(-c3ccc(F)cc3)c1)c1ccccc12,0.24, 0.10504719333769325),8441,TRUE
C[C@H](N)[C@H](O)CNC(/C=C/C=O)(Cc1cccc(-c2ccccc2/C=C/C=O)c1[N+](=O)[O-])N[C@H](C=O)C(C)(C)C,0.24, 0.08574982761324736),8448,TRUE
NC(=O)C[C@H](NC(c1cccc(Cl)c1Cl)[C@H](NCC=O)C(=O)C=O)C(N)=O,0.24, 0.25768705612424275),8455,TRUE
CC(N)(/C=C/C(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)Oc1nc2ccccc2c2cc(NS(=O)(=O)c3ccc(N)cc3)ccc12,0.24, 0.09059812954313752),8462,TRUE
CC(N)(/C=C/C=O)NC1([C@H]2CO2)CCCC1(Oc1nc2ccccc2c2ccccc12)c1ccc(/C=C/C=O)cc1,0.24, 0.09222106496826388),8469,TRUE
[H]OC(=O)C(=O)[C@@H](N)Cc1c(O)c(Cl)cc(Cl)c1Cl,0.24, 0.5818975805755009),8476,TRUE
N[C@H](C(=O)C=O)C(Oc1nc2ccccc2c2ccccc12)(O[C@H]1CO[C@H]2OCC[C@@H]12)c1ccc2[nH]ccc2c1,0.24, 0.13182033057347572),8483,TRUE
CCCCC1[C@@H]2CCC[C@@H]2C(c2sc(SC)c(C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)N)c2C)N1C(C)(/C=C/C=O)NCC=O,0.24, 0.11069120296536061),8490,TRUE
CC(=O)Nc1sc(N)nc1CNC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)Oc1ccccc1,0.24, 0.09538378470940831),8497,TRUE
NCCCC[C@@H](C=O)N(Cc1cccnc1)[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)C=O,0.24, 0.15889124125132836),8518,TRUE
CC(N)(/C=C/C=O)c1cc([N+](=O)[O-])cc(B(O)O)c1N(c1oc2cc(O)cc(O)c2c(=O)c1O)C(C)(C)C,0.24, 0.08430580359083577),8525,TRUE
COc1ncccc1CN[C@@H](C)C(=O)C(=O)N(c1cc(O)c(O)cc1-c1cccc2[nH]ccc12)[C@@H](C)[C@@H](C)O,0.24, 0.15398371098899233),8532,TRUE
C=C[C@H]1[C@H](NC(C)(N)/C=C/C(=O)N[C@H](C=O)[C@H](C)O)C1(CS(=O)C1=[SH]c2ncccc2N1)Oc1ccccc1,0.24, 0.05476599583995073),8539,TRUE
[H]Nc1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c2c1-c1cccc(C)c1,0.24, 0.23403479502390978),8546,TRUE
CC(C)CC(=O)N(C(=O)C(=O)[C@H](C)N)c1c(Cl)cccc1Oc1nc2ccccc2c2ccccc12,0.24, 0.2578212871093836),8553,TRUE
C[C@H](N[C@@H](CCc1cc(O)c(O)c(O)c1)C(=O)O)C(=O)C(=O)N[C@H](C=O)C(C)(C)C,0.24, 0.17716212048024846),8560,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cc(N(C(=O)[C@@H](N)[C@@H](C)O)[C@H](C(=O)[C@H](C=O)CO)[C@@H](C)O)ccc12,0.24, 0.06058010852877636),8567,TRUE
CCN[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3ccc(C=O)s3)cccc12,0.24, 0.2016242892108287),8574,TRUE
Cc1cc(-c2nc3ccccc3c3ccccc23)cc(C)c1-c1ccc2c(OC3CC(C(C)(N)/C=C/C=O)C3)nc3ccccc3c2c1,0.24, 0.10815617197547728),8581,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(Oc3cccc(N4CCOCC4)c3)cccc2c2cccc(N[C@H](C=O)CCC=O)c12,0.24, 0.10832190261340356),8588,TRUE
Cc1csc(CC(N)(/C=C/C(=O)N[C@H](C=O)C(C(N)=O)c2ccc(O)cc2)[C@H]2CN2c2cc(B(O)O)cc([N+](=O)[O-])c2)n1,0.24, 0.035728773606267764),8595,TRUE
[H]C(=O)C(=O)[C@@H](N)C(c1ccc(/C=C/C=O)cc1)c1nc2c(C[C@H](N)C=O)c[nH]c(C(C)(C)C)c-2n1,0.24, 0.22670876762683131),8602,TRUE
CSc1cc(C)c(N([C@@H](C)[C@@H](C)O)C(C=O)(C[C@@H](C=O)NC(C)(N)/C=C/C=O)N[C@@H](C)CCC=O)s1,0.24, 0.09470699476535918),8609,TRUE
CSC(N)(/C=C/C=O)CC1CC2CCCC(Oc3cccc4[nH]c(C=O)cc34)C2C(C[C@H](N)CCC=O)N1,0.24, 0.1711330404809843),8616,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3ccc(NCC=O)s3)cccc12,0.24, 0.19838163972671244),8623,TRUE
Cc1nc(-c2c(O)cc3oc(C(C)(N)/C=C/C(=O)Oc4nc5ccccc5c5ccccc45)c(O)c(=O)c3c2O)cs1,0.24, 0.11778406301244186),8630,TRUE
[H]C([C@H](N)C(=O)C=O)[C@H]1NC[C@H]2CCCC[C@@H]2C1[H],0.24, 0.5567016766873706),8637,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NC(=O)[C@@H](N)C(C)(C)C)NS(=O)(=O)C1(C)CC1,0.24, 0.1724553323081816),8644,TRUE
C[C@@H]1C(N[C@H](C=O)Cc2ccncc2C[C@H](N)C(=O)C=O)C(=O)OC1n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.17801317786807058),8651,TRUE
CC[C@H](NC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2cccc(CC=O)c12)C(=O)N[C@H](C=O)[C@H](C)O,0.24, 0.09157261158086052),8672,TRUE
[H]Nc1cc([H])cc2c1c(OC(=O)C(=O)[C@H](C)N)nc1cccc([H])c12,0.24, 0.3303441624131991),8679,TRUE
[H]N[C@@H](C)C(=O)C(=O)Nc1ccc(Cl)cc1Oc1nc2ccc(OC)cc2c2c(Cc3ccc4c(c3)OCO4)cccc12,0.24, 0.168007767358154),8686,TRUE
CC(C)[C@H](NC(C)(/C=C/C=O)N[C@@H]1C[C@H]2CCCC(N[C@@H](C)C(=O)c3nccs3)[C@@H]2CN1)C(=O)C[C@@H](C)C=O,0.24, 0.11093395826813418),8693,TRUE
CC(/C=C/C(=O)Nc1cc(Oc2nc3ccccc3c3ccccc23)ccn1)NC(=O)C[C@H](N)Cc1cccc2[nH]ccc12,0.24, 0.11496145569677335),8700,TRUE
COc1ccc2c(OC(C)(N)/C=C/C=O)nc3cc(N(C(=O)c4cc(C)on4)[C@@H](CC(C)C)B(O)O)ccc3c2c1,0.24, 0.08130789896784721),8707,TRUE
Cc1noc(C)c1N(C(C)[C@@H](C(=O)O)N(C(C)/C=C/C=O)[C@H](C)[C@H](C)N)[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C=O,0.24, 0.2183224882863769),8721,TRUE
C[C@@H](C=O)NC(C=O)Cc1cc(C#N)cc(CC(N)(/C=C/C=O)Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.12525447665990888),8728,TRUE
[H]c1cc(Cc2cccnn2)cc2c1c(OC(=O)[C@H](CCC=O)NC(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.14434037142549214),8735,TRUE
Cc1noc(Nc2ccc3c(OC(=O)C(=O)[C@@H](N)Cc4nc5ccn(C)cc-5n4)nc4ccccc4c3c2)c1[N+](=O)[O-],0.24, 0.08942689721467097),8742,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(Nc3ccccc3Cl)cc(N[C@H]3c4ccccc4C[C@H]3O)c12,0.24, 0.07212619489987424),8756,TRUE
CCCC[C@@H](C=O)NC1CCNC(=O)N1c1ccccc1CN1C[C@@H]1C(C)(N)/C=C/C(=O)OCC(C)C,0.24, 0.15155306647303554),8763,TRUE
C[C@@H](C(=O)C=O)N(CC[C@@H](N)C[C@H]1COC(=O)C1Cc1cccs1)C(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.09615346068496247),8770,TRUE
CC(C)C(=O)NC(C)(/C=C/C=O)N[C@H](C=O)CCC(C)N(C(=O)c1ccco1)[C@@H](C)C(=O)c1nccs1,0.24, 0.1550718315863317),8777,TRUE
C[C@@H](C=O)Nc1ccc2[nH]c(C=O)c(-c3nnccc3Sc3ccccc3N3C[C@H]4CCC[C@H]4C3)c2c1C(C)(N)/C=C/C=O,0.24, 0.14364922830018234),8784,TRUE
CC(/C=C/C=O)(NCc1ccccc1-c1ccc(F)cc1Cl)Oc1ccc(Oc2nc3ccccc3c3ccccc23)cc1,0.24, 0.07325834947258816),8791,TRUE
N=C(N)c1ccc(Nc2ccc(-c3c(Cl)c(O)c(C[C@H](N)C(=O)C(N)=O)c(Cl)c3Cl)s2)cc1,0.24, 0.1120013694862678),8798,TRUE
Cc1c(O)cccc1C1CCC(C[C@H](N)C(=O)C=O)CC1N[C@H](C=O)CO,0.24, 0.36645019159963765),8805,TRUE
N[C@@H](Cc1c[nH]nn1)C(=O)C(=O)Oc1nc2ccc(-c3sc4ccccc4c3-c3cc(B(O)O)cc([N+](=O)[O-])c3)cc2c2ccccc12,0.24, 0.04392552401428688),8812,TRUE
C[C@H]1COC(=O)C1c1cc(Nc2ccc(-c3ccccc3)cc2)c(Cl)c(C2C[C@H](OC(C)(N)/C=C/C=O)CO2)c1,0.24, 0.13694685655816294),8826,TRUE
C#CC[C@H](NCC(O)(c1ccc2[nH]cnc2c1)C(C)NC(=O)C(C)C)C(=O)NC(C)/C=C/C(=O)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.19369787692244483),8840,TRUE
Cn1ccc(NC(=O)C(=O)[C@@H](N)Cc2cc(B(O)O)cc([N+](=O)[O-])c2)n1,0.24, 0.19114873181421047),8847,TRUE
[H]C(NC(C)(C)Cc1cccc(Oc2nc3ccccc3c3ccccc23)c1)[C@H](N)C(=O)C=O,0.24, 0.22982292382180391),8854,TRUE
CNc1cc(Oc2ccccc2-c2ccccc2F)ccc1C(C)(/C=C/C=O)NC(NCC=O)[C@@H](O)[C@H](C)N,0.24, 0.12043756053433073),8861,TRUE
Cc1cccc(C)c1OC(C)(/C=C/C=O)N(C(=O)/C=C/c1c(F)cc(Cl)cc1CC(=O)[C@H](C)N)C(C)C,0.24, 0.2409242049148718),8868,TRUE
N[C@@H](Cc1ccc(F)c(Oc2nc3ccccc3c3ccccc23)c1)C(=O)C=O,0.24, 0.30715490065633094),8875,TRUE
[H]N[C@@H](Cc1nnc(S)n1-c1ccccc1Oc1nc2ccccc2c2ccccc12)C(=O)C=O,0.24, 0.16175507911561343),8882,TRUE
CC[C@H](Cc1ccc2nc(OC(=O)C(=O)[C@H](C)N)c3ccccc3c2c1)Nc1cccnc1,0.24, 0.24087663058888945),8889,TRUE
CCCC[C@H](N)C(=O)NC(C)(/C=C/C(=O)OC(O[C@H]1CO[C@H]2OCC[C@@H]12)C(N)=O)Oc1ccccc1,0.24, 0.2024633038654033),8896,TRUE
C[C@H](Nc1cc2c(OC(C)(N)/C=C/C=O)nc3ccccc3c2cc1Sc1ccccc1)C(=O)C(N)=O,0.24, 0.09411819226070726),8903,TRUE
Cc1c(O)ccc(-c2ccc3[nH]ccc3c2)c1-c1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c2c1,0.24, 0.1463647525144943),8910,TRUE
Cc1cccc(C)c1-c1c(-c2ccc(C=O)s2)ccc2c1nc(OC(C)(N)/C=C/C=O)c1ccccc12,0.24, 0.11097527092932723),8917,TRUE
CC(N)(/C=C/C=O)N[C@H](C=O)Cc1c(F)cc(C[C@H](N)/C=C/C=O)cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.09734397411404852),8924,TRUE
CC[C@@H](C=O)NC(=O)C(=O)[C@H](C)N(c1ccc(C[C@H](N)CC)c(O)c1C)C1(N)CC1,0.24, 0.24115650844002703),8938,TRUE
CC(N)(/C=C/C(=O)N1C[C@H]2[C@@H](C1)C2(C)C)Oc1nc2c(Oc3cncc(Br)c3)cccc2c2ccccc12,0.24, 0.17136173425015142),8945,TRUE
CC(N)(/C=C/C=O)c1oncc1-c1c(Nc2ccc(N)cc2)ncc(Br)c1-c1ccccn1,0.24, 0.18510841623886728),8959,TRUE
N[C@@H](Cc1oc2cc(O)c(-c3nccs3)c(O)c2c(=O)c1O)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.12988388660015912),8966,TRUE
C[C@@H](C=O)Nc1cccc2c1nc(Oc1cc(C[C@H](N)C(=O)C=O)c(Cl)cc1CN)c1ccccc12,0.24, 0.16768071098499793),8973,TRUE
Cc1ccc(C[C@H](N)C(=O)C(=O)NS(=O)(=O)C2CC2)cc1CN1C(=O)C(=O)c2cc(F)ccc21,0.24, 0.5268698433196155),8980,TRUE
Cc1c(NS(=O)(=O)C2(C)CC2)ccc2c(O)c(N(c3ccccc3)c3ccccc3[N+](=O)[O-])c(C[C@H](N)C(=O)C=O)nc12,0.24, 0.09494807854746289),8987,TRUE
NC(/C=C/C(=O)N[C@H](C=O)CO)Cc1cccc(-c2oc(C=O)cc2Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.1252556517009277),8994,TRUE
[H]N[C@@H](Cc1ccc2c(c1)nc(C)n2C)C(=O)C(N)=O,0.24, 0.7430233454643864),9008,TRUE
CC(=O)n1ccc2cc(C3COC(=O)C3(C[C@H](N)C(=O)C=O)C[C@@H](C=O)CC(=O)[C@@H](N)C(C)C)ccc21,0.24, 0.2438813768018659),9015,TRUE
N[C@@H](Cc1c(F)cc(F)cc1F)C(=O)C(=O)On1nnc2c(Sc3ccccc3-n3cc4c(c3)C(=O)C=CC4=O)cccc21,0.24, 0.20339057850273914),9029,TRUE
C=C[C@@H]1C[C@]1(N)c1ccc2nc(OC(C)(N)/C=C/C(=O)OCC(N)=O)c3ccc(Nc4ccc(C(=N)N)cc4)cc3c2c1,0.24, 0.02922953160111659),9036,TRUE
CC(N)(/C=C/C=O)Oc1nc2cc(-c3cccc(C#N)c3)ccc2c2cc(N3CCn4cnnc4C3)ccc12,0.24, 0.1532736060133178),9043,TRUE
CC(C)NC(C)/C=C/C(=O)N1CCN(C(=O)c2cc3c(O)cccc3[nH]2)C(c2ccc3[nH]cnc3c2)C1,0.24, 0.3011822446962904),9050,TRUE
N[C@@H](Cc1c(-c2cccc(Nc3ccccc3)c2)cc(C=O)o1)C(=O)C=O,0.24, 0.47135306014867856),9057,TRUE
CC1C(=O)OC[C@@H]1N[C@@H](C)C(=O)C(=O)NS(=O)(=O)C1(C)CC1,0.24, 0.47743388290484773),9064,TRUE
Cc1cc(O)ccc1-c1cc(C[C@H](N)C(=O)C=O)ccc1/C=C/C=O,0.24, 0.45855009547625053),9071,TRUE
CC(/C=C/C=O)N(Cc1cc(Cl)cc(CC[C@H](N)C(=O)O)c1)C(=O)c1occc1NC(=O)C(O)c1cccnn1,0.24, 0.1756715312227662),9078,TRUE
Cc1cnc(C(=O)N2CCN[C@H](c3c(-c4ccc(N)cc4)cc(C(C)(N)/C=C/C=O)c(C)c3O)C2)cn1,0.24, 0.22944859354936395),9092,TRUE
CC(/C=C/C=O)(NC(=O)c1nc2ccc(C(C)(C)C)c(-c3cccnn3)c2[nH]1)Oc1nc2ccccc2c2ccccc12,0.24, 0.09994594307894146),9099,TRUE
[H]c1c(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)ccc2nc(OC(=O)C(=O)[C@H](C)N)c3ccccc3c12,0.24, 0.23327763825060452),9106,TRUE
CC(N(Cc1cccc(Cl)c1)C(/C=C/C=O)Cc1cccc(C#N)c1)n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.260813734167556),9113,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2c(-c3cc(=O)c4c(O)cc(O)cc4o3)cccc12)c1sc(C=O)cc1C(F)(F)F,0.24, 0.07673893127558504),9120,TRUE
CC(/C=C/C=O)(NC(=O)C(Cl)=C(Cl)Cl)N[C@H](C(=O)C(F)(F)F)C(CC=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.1210532979885231),9127,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)C(=O)N[C@H](C(=O)Oc1nc2ccccc2c2ccccc12)[C@@H](C)O,0.24, 0.12356210208569648),9134,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cc(-c3cc(F)c(F)cc3F)cc(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)c12,0.24, 0.07256475902896167),9141,TRUE
CC[C@@H](C)[C@@H](C=O)N(C(=O)/C=C/C(C)(N)c1ccc(O)cc1Oc1nc2ccccc2c2ccccc12)S(=O)(=O)c1ccccn1,0.24, 0.10317480871514027),9148,TRUE
CCC(CNC(C)(/C=C/C=O)c1ccc(Cl)c(NC2CC2)c1)Oc1nc2ccccc2c2ccccc12,0.24, 0.12791767734170237),9155,TRUE
[H]NC(=N)c1ccc(Nc2cccc3c2c(OC(=O)C(=O)[C@H](C)N)nc2ccccc23)cc1,0.24, 0.12151081992789899),9162,TRUE
CC(N)/C=C/C(=O)N[C@H](C=O)C(C)c1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)c(-c2nc3ccn(C)cc-3n2)c(=O)o1,0.24, 0.12736902340064435),9169,TRUE
O=CC(=O)[C@@H](N[C@H]1CO1)C(c1ccc([SH](=O)=O)nc1)c1c(Cl)cccc1Oc1nc2ccccc2c2ccccc12,0.24, 0.08022669994889993),9176,TRUE
COc1cccc(C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)C(=O)Oc2nc3c(Nc4ccccc4)cccc3c3ccccc23)c1,0.24, 0.10691521463543129),9183,TRUE
O=CCNC(=O)CCc1c(Cl)cccc1CN[C@@H](CO)C(=O)C=O,0.24, 0.3747494741662807),9190,TRUE
CC(C)C(OC(=O)[C@@H](N)CCN(Cc1cscn1)C(C)/C=C/C(=O)Nc1ccccc1)Oc1nc2ccccc2c2ccccc12,0.24, 0.06089435356999127),9204,TRUE
CCC(Cc1sc(N)nc1CNC(C)(/C=C/C=O)c1c[nH]cn1)N([C@H](C=O)CC(C)C)[C@@H](C)[C@H](N)C=O,0.24, 0.1773809145237501),9211,TRUE
CC(=O)n1ccc2cc(-c3c(O)cc4oc(-c5cc(Cl)ccc5NC(=O)/C=C/C(C)N)cc(=O)c4c3O)ccc21,0.24, 0.2040597621891233),9218,TRUE
C[C@H]1O[C@@H](OC(C)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)NC(=O)CC[C@H](N)C(=O)CF)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.09203618527000106),9225,TRUE
N[C@@H](Cc1c(/C=C/C=O)cccc1N1C[C@H]2CCC[C@H]2C1)C(=O)C(=O)NC1CCC(c2cc(O)c(O)c(O)c2)CC1[C@H]1CO1,0.24, 0.0901571757310976),9232,TRUE
CC(C)C(Oc1ccc(O)cc1)[C@@H](C=O)C(=O)[C@@H](Nc1coc(-c2cc3cccc(C(C)(N)/C=C/C=O)c3[nH]2)c1)[C@@H](C)O,0.24, 0.07968487264113769),9239,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccccc1Cl,0.24, 0.5966849636893405),9246,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1cc2cc(C=O)[nH]c2cc1Oc1cccnc1,0.24, 0.1094483624792713),9260,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](C)C(=O)c1nc([C@@H]2C[C@@H]3CCCC[C@@H]3CN2)cs1,0.24, 0.5002826470346815),9267,TRUE
CC(C)C[C@H](C(=O)[C@@H](N)[C@@H](C)O)C(=O)N(C(=O)[C@@H](N)C(C)(C)C)[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.12694229454982117),9281,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cccs1,0.24, 0.5421687667384126),9295,TRUE
C[C@H](N)[C@H](O)CNC(C)(/C=C/C=O)c1oc(C(=O)C(F)F)c(CC2CCOC2=O)c1N1CCCNC1=O,0.24, 0.13469482495539495),9302,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(-c3oc4cccc(O)c4c(=O)c3O)c(NC3CCCCC3)cc12,0.24, 0.079175320339409),9309,TRUE
C[C@H]1O[C@@H](OC(=O)C(=O)[C@@H](N)Cc2ccc3[nH]ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.3269428369089121),9316,TRUE
N[C@H](C(=O)C=O)C(c1ccc(C=O)s1)C1CCCC1,0.24, 0.6373121860594138),9323,TRUE
CC(/C=C/C=O)(NC(=O)C(Cl)=C(Cl)Cl)c1cc([N+](=O)[O-])cc([C@@H]2CCCN2)c1Cc1cccnn1,0.24, 0.20994403828807484),9344,TRUE
CC(/C=C/C=O)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2-c2nnc3n2CCNC3)nc1)Oc1nc2ccccc2c2ccccc12,0.24, 0.05080550903686684),9351,TRUE
CC(/C=C/C=O)NC1(Nc2ccc(-c3ccccc3)cc2)CC2CCCC(Oc3nc4ccccc4c4ccccc34)C2CN1,0.24, 0.07005427911290787),9358,TRUE
CC(N)/C=C/C(=O)Nc1cc(NC(C)C=O)c(NC(N)=O)cc1Oc1cccc2[nH]c(C=O)c(N3CC[C@@H]4CCCC[C@@H]4C3)c12,0.24, 0.12673631569790575),9365,TRUE
C[C@H](NCC(CN)N1C[C@H]2CCC[C@H]2C1)C(=O)C=O,0.24, 0.4930645591518566),9372,TRUE
CC(C)[C@H](Nc1cc(C=O)sc1Cc1nc(C(C2CCCC2)[C@H](N)C(=O)C=O)cs1)C(=O)C[C@@H](C)C=O,0.24, 0.2509000976787523),9379,TRUE
Cn1cc(C[C@H](N)C(=O)C=O)cc1-c1cccc2c1c(C[C@H](N)C(=O)C(F)(F)F)c(C=O)[nH]2,0.24, 0.32604533443447536),9386,TRUE
CC(=O)N(C(=O)/C=C/C(C)N(C(C)=O)c1ccc(C)cc1Oc1nc2ccccc2c2ccccc12)C(=O)[C@H](C)N,0.24, 0.2518169237396373),9393,TRUE
COc1cc2nc(OC(=O)[C@@H](NC(=O)C(=O)[C@H](C)N)[C@@H](C)O)c3ccccc3c2cc1Nc1nc2ccccc2[nH]1,0.24, 0.10282565473896337),9407,TRUE
Cc1cccc(C)c1N1C[C@H]2C(OC(N[C@@H]3C[C@@H]4CCCC[C@@H]4CN3)C(N)=O)CCC[C@@H]2C[C@H]1C[C@H](N)C(=O)C=O,0.24, 0.19227086817803027),9414,TRUE
C[C@@H](C[C@H](O)[C@H](C)N)Nc1cn(C(C)(/C=C/C=O)NCc2cc(-c3ccno3)n(Cc3ccc4[nH]ccc4c3)c2)nn1,0.24, 0.09922590643094266),9421,TRUE
CC[C@H](NC(C)(N)/C=C/C(=O)Nc1c(Cl)cccc1Oc1nc2ccccc2c2ccccc12)C(=O)Nc1ccccc1,0.24, 0.07855462700216839),9428,TRUE
Cc1noc(Nc2cc(NC(=O)/C=C/c3ccc(Cl)cc3F)ccc2S(=O)(=O)NC(C)(N)/C=C/C=O)c1[N+](=O)[O-],0.24, 0.08341687693295574),9435,TRUE
N[C@@H](Cc1c(Oc2nc3ccccc3c3ccccc23)ccc2[nH]c(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc12)C(=O)C=O,0.24, 0.092351339801355),9442,TRUE
CCCCNC(C)(/C=C/C=O)c1cc(-c2ccc(/C=C/C=O)cc2)c(O)c(N2CC[C@@H]3CC(c4cccnc4)CC[C@@H]3C2)c1,0.24, 0.12945981936597503),9449,TRUE
CCc1c(CC(N)(/C=C/C=O)c2cccc([N+](=O)[O-])c2)ccc(Br)c1-c1ccc(Cl)cc1Cl,0.24, 0.14161491603763673),9456,TRUE
CSC(C[C@H](Nc1c(NC(=O)C(=O)[C@H](C)N)cc(Cl)c(C2CC2)c1Cl)C(=O)C(F)(F)F)C(N)=O,0.24, 0.31383989097065307),9463,TRUE
N[C@@H](Cc1cc(Oc2nc3ccccc3c3ccccc23)c(F)cc1Cl)C(=O)C(=O)Nc1ccc(-c2ccccc2)cc1,0.24, 0.13997779867326787),9470,TRUE
Cc1cccc(C)c1CC1(C)[C@H]2CN[C@H](CC3(CC=O)C(=O)OC[C@@H]3N(C(=O)C(Cl)=C(Cl)Cl)C(C)/C=C/C=O)[C@H]21,0.24, 0.21980095792519083),9477,TRUE
CC[C@@H](N)Cc1cccc2c(=O)n(C[C@H](N)C(=O)C(=O)Oc3nc4ccccc4c4ccccc34)[nH]c(=O)c12,0.24, 0.15762996695532508),9484,TRUE
CC(N)(/C=C/C=O)[C@H]1NC(N2C[C@@H]3CCC[C@@H]3C2N2CCC3CCCCC3C2)CC1NS(=O)(=O)C1CC1,0.24, 0.3242010616824984),9491,TRUE
CC(N)(/C=C/C=O)c1ccc(-c2cccc(N)c2)c2cc(-c3ccc(Oc4ccccc4)c4ccccc34)[nH]c12,0.24, 0.11237710543943144),9498,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2cc(C3C(=O)OC[C@@H]3C)cc(N[C@@H](C)C=O)c12,0.24, 0.23415652706725304),9512,TRUE
Cc1ccc(C([C@H](O)[C@@H](N)C(C)C)[C@@H](C)C(=O)N[C@@H](C)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)cc1,0.24, 0.149750484708717),9519,TRUE
CC(N)(/C=C/C(=O)N(CC=O)c1oc2ccc(C[C@H](N)/C=C/C=O)c(O)c2c(=O)c1O)c1nc(S)[nH]c(=O)c1C#N,0.24, 0.08047094652582255),9526,TRUE
CNC(=O)/C=C/C(C)(N)NS(=O)(=O)C1(Oc2nc3ccccc3c3ccccc23)CC1c1cccc(N)c1,0.24, 0.11807573791074397),9533,TRUE
N/C(=C\c1ccc(C[C@H](NCc2ccc(NC3CCCC3)c(Cl)c2)C(=O)C=O)o1)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.046938717823780715),9540,TRUE
Cc1noc(N(C(=O)c2ccc(Cl)s2)C(C)(N)/C=C/C(=O)Oc2cncc(Cl)c2)c1[N+](=O)[O-],0.24, 0.16166958596266542),9547,TRUE
CCCNc1cc([N+](=O)[O-])ccc1Nc1c(C[C@H](N)C(=O)C=O)ccc(O)c1O,0.24, 0.13146078615156667),9554,TRUE
CC(N)/C=C/C(=O)N(C(=O)c1nc2ccccc2[nH]1)[C@@H](CC(Oc1nc2ccccc2c2ccccc12)C(N)=O)C(=O)C(F)(F)F,0.24, 0.1532145654488056),9561,TRUE
CC(N)(/C=C/C=O)C1CC1Oc1nc2ccccc2c2cc(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)ccc12,0.24, 0.18920434112465934),9568,TRUE
CC(N)(/C=C/C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1CC(=O)c1ccco1)Oc1nc2ccccc2c2ccccc12,0.24, 0.052923957877177345),9582,TRUE
C[C@@H](C(=O)C=O)N(c1ccc(/C=C/C=O)cc1)C(Oc1nc2ccccc2c2ccccc12)c1cc(C#N)cc(-c2ccc3[nH]cnc3c2)c1,0.24, 0.04923874021417129),9589,TRUE
CC(C)[C@@H](C(=O)C[C@@H](C)C=O)N(c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(=O)C(=O)[C@H](C)NC(C)(N)/C=C/C=O,0.24, 0.04340335223722388),9596,TRUE
CC(C)(C)N[C@@H](Cc1c(F)cc(C[C@H](N)C(=O)NN(C=O)CCC(N)=O)cc1NC(C=O)CCC(=O)O)C(=O)C=O,0.24, 0.06578520549534526),9603,TRUE
N[C@@H](Cc1cc(Nc2cc3ccccc3s2)cc([N+](=O)[O-])c1)C(=O)C(=O)Oc1cccnc1,0.24, 0.17348208831089815),9610,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(-c3ccccc3)cc(N3CC[C@@H]4CCCC[C@@H]4C3)c12,0.24, 0.13387100168635654),9617,TRUE
N[C@@H](Cc1ccc(O)c(Cl)c1Cl)C(=O)C=O,0.24, 0.6333445767549334),9624,TRUE
C[C@H](N)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1-c1cccc(Nc2ccc(N)cc2)c1[N+](=O)[O-],0.24, 0.16200410195545703),9631,TRUE
COc1cc2c(cc1/C=C/C(=O)NC(C)/C=C/C=O)OC(c1cc(CS(=O)C3=[SH]c4ncccc4N3)c3[nH]cnc3c1)O2,0.24, 0.09482870525025319),9638,TRUE
Cc1nc(-c2ncc(Cl)cc2OC(=O)/C=C/C(C)(N)c2ccc(Cl)cc2)sc1OP(=O)(O)O,0.24, 0.2262390047681943),9645,TRUE
NC(/C=C/C=O)(Cc1cccnc1Oc1cccc2[nH]c(C=O)cc12)Oc1nc2ccccc2c2ccccc12,0.24, 0.1037193915842563),9652,TRUE
Cc1cccc(Oc2c(C[C@H](N)C(=O)C(=O)Oc3nc4ccccc4c4ccccc34)cc(C#N)cc2-c2nccs2)c1,0.24, 0.12151363270947162),9659,TRUE
NC(/C=C/C(=O)Nc1ccc(Cl)cc1)Cc1cnc([SH](=O)=O)c(N(C(=O)c2ccc(Cl)s2)c2ccccc2)c1,0.24, 0.17300266682618626),9666,TRUE
CC[C@@H](N)Cc1c(N(C(=O)[C@@H](N)CCCCN)[C@H](C=O)[C@@H](C)O)ccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.055369304116789926),9673,TRUE
C[C@@H](C=O)NC(C(N)=O)[C@@H](C=O)NC1(c2nnc3n2CCNC3)C2CCCCC2CC(C[C@H](N)C(=O)C=O)N1c1ccccc1,0.24, 0.1310128876237779),9680,TRUE
CC(C)[C@@H](C=O)NC(C)(/C=C/C=O)NCc1cccc(Cl)c1CC(N)(N[C@@H](C)/C=C/C=O)C(=O)C(F)(F)F,0.24, 0.13839773106263417),9687,TRUE
Nc1ccc(C[C@@H](C(=O)C=O)N(CC=O)Cc2ccc([N+](=O)[O-])cc2)c(-c2ccc3cc[nH]c3c2)c1NC1CC1,0.24, 0.07486234143978708),9694,TRUE
[H]c1c(C[C@H](N)C(=O)C=O)ccc2c1nc(C)n2C,0.24, 0.6288934008330159),9701,TRUE
CC(/C=C/C=O)(c1oc2cc(O)c(C[C@H](N)/C=C/C=O)c(O)c2c(=O)c1O)N(C(=O)CN)c1c(O)c(Cl)cc(Cl)c1Cl,0.24, 0.10738416304791087),9708,TRUE
N[C@H](C=O)CC1NCCN(c2c(Cl)cccc2C[C@H](N)C(=O)C=O)C1N1CCOCC1,0.24, 0.3301291946277875),9715,TRUE
C[C@H](NCc1cccnc1)C(=O)C(=O)Oc1nc2ccccc2c2cccc(N[C@H](C=O)CCC=O)c12,0.24, 0.13072000556352492),9729,TRUE
N[C@@H](Cc1cc2occc(=O)c2c(O)c1NC(C=O)Oc1nc2ccccc2c2ccccc12)C(=O)C=O,0.24, 0.08817743884982118),9736,TRUE
[H]c1c([H])c(C[C@H](N)C(=O)C=O)c(N[C@@H](C)C=O)c(Oc2nc3ccccc3c3ccccc23)c1N,0.24, 0.1507961101185205),9743,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(-c3nc4cc[nH]c(-c5ccc(Br)cc5)c-4n3)ccc12,0.24, 0.10333757097096914),9750,TRUE
C[C@H](NC(=O)/C=C/C(N)Cc1ccc(N2C[C@H]3CC(c4cccs4)C[C@H]3C2)c(C#N)c1)C(=O)c1nccs1,0.24, 0.3020645075055897),9757,TRUE
[H]N[C@H](C(=O)C=O)C(C1CC1)N1CCNCC1,0.24, 0.45227231579080435),9764,TRUE
N[C@@H](Cc1cc2ccccc2s1)C(=O)C=O,0.24, 0.6433516949489637),9771,TRUE
NC(/C=C/C=O)(Cc1cc2nc[nH]c2cc1-c1nc2ccccc2c2ccccc12)c1ccc(F)c(-c2ccccc2F)c1,0.24, 0.11358047413512827),9785,TRUE
CC(C)C[C@H](C=O)NC1CCCCC1NC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.12201095465413367),9792,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NCc1ccccc1)c1ccccc1N=Cc1ncoc1O,0.24, 0.0836370557471351),9799,TRUE
C[C@@H]1C[C@H]2CCCC(Oc3nc4ccccc4c4ccccc34)[C@@H]2C(Nc2ccccc2Cl)N1C(C)(N)/C=C/C(=O)N(C)C,0.24, 0.17197627097716556),9806,TRUE
CC(N)/C=C/C(=O)N(C(=O)c1cc2cc(F)cc(C[C@H](N)/C=C/C=O)c2[nH]1)/C(C=O)=C\c1occc1C1CCOC1=O,0.24, 0.175749485000056),9813,TRUE
N[C@@H](Cc1cc(O)c(O)c(O)c1On1nnc2c(O)ccc(-c3csc(Cc4oc5cc(O)cc(O)c5c(=O)c4O)n3)c21)C(=O)C=O,0.24, 0.06198683521915878),9820,TRUE
Nc1cccc(C[C@H](N)C(=O)C=O)c1,0.24, 0.3962067783984827),9834,TRUE
Cc1cccc(C)c1-c1cc(-c2cc([N+](=O)[O-])ccc2CN[C@@H](C)C(=O)C=O)sc1C=O,0.24, 0.2198139677900998),9841,TRUE
CNc1nc2ccn(C[C@H](N)C(=O)C(=O)Oc3nc4ccccc4c4ccccc34)c(NC3CC3)c-2n1,0.24, 0.16830278558941034),9848,TRUE
CSC(C)NC(C)(/C=C/C(=O)Nc1ccc(N)cc1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)Nc1onc(C)c1[N+](=O)[O-],0.24, 0.06514209462753735),9855,TRUE
N[C@@H](Cc1cc([C@H]2NCCNC2c2ccc(Cl)cc2)cc2ccccc12)C(=O)C=O,0.24, 0.4204377670368309),9862,TRUE
CCCC1=C(O)OC(CCCC(=O)O)(C[C@H](N)C(=O)C(=O)N[C@@H](C)[C@@H](O)C[C@H](C)NC(=O)c2cc3cc(F)ccc3[nH]2)CC1=O,0.24, 0.13400775420696062),9869,TRUE
Cc1cc(C[C@H](N)/C=C/C=O)cc(C)c1CC(C)(Oc1nc2ccccc2c2ccccc12)N(C=O)C(C)(/C=C/C=O)NS(=O)(=O)C1CC1,0.24, 0.07280173875347282),9876,TRUE
C[C@H]1O[C@H](c2ccc(-c3c(F)c(F)cc(F)c3C[C@H](N)C(=O)C=O)c([N+](=O)[O-])c2)C[C@H]2CCCC[C@@H]21,0.24, 0.18726523009684046),9883,TRUE
C[C@H](NC(=O)[C@@H](N)C(C)(C)Oc1nc2ccccc2c2ccccc12)C(=O)C(=O)N[C@H](C=O)[C@@H](C)O,0.24, 0.18448290019073624),9890,TRUE
Cc1noc(NC(C=O)NC(C)(/C=C/C=O)NC(C)(Oc2nc3ccccc3c3ccccc23)C(=O)C(F)(F)F)c1[N+](=O)[O-],0.24, 0.04909509557327637),9897,TRUE
Cc1cc(C(=O)N(c2ccc3c(OC(C)(N)/C=C/C=O)nc4ccccc4c3c2)[C@@H](C)[C@@H](O)C[C@H](C)N)no1,0.24, 0.12022366312407708),9904,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cc(C(C(=O)c3ccco3)c3ccc(C(=O)C(F)F)o3)ccc12,0.24, 0.11866222056498432),9911,TRUE
CC(N)(/C=C/C=O)NC(C=O)NC1CCCC1N1CCCC1Nc1ncccc1Nc1ccc(Cl)cc1,0.24, 0.16101848224223872),9918,TRUE
CC(C)C[C@@H](C=O)Nc1cc(CC(C)Oc2ccccc2)c2c(C(C)(N)/C=C/C=O)nc3ccccc3c2c1,0.24, 0.12760681678340982),9925,TRUE
CC(C)[C@H](N)C(=O)NC(C)(/C=C/C(=O)Oc1cnc(N[C@H](C=O)CCCCN)c(Cl)c1)c1ccc(Cl)cc1,0.24, 0.11656899760936863),9932,TRUE
[H]CC(N)/C=C/C(=O)N(C(=O)c1nc2ccccc2[nH]1)C(C(=O)C(C)=O)[C@@H](C)O,0.24, 0.4592006429889937),9939,TRUE
CC(N)/C=C/C(=O)N[C@@H](CC(N)=O)C(=O)OC[C@H]1NC[C@@H]2C(Oc3ccc(O)cc3-c3ccc4cc[nH]c4c3)CC[C@H]12,0.24, 0.1484005561348177),9946,TRUE
CC(=O)C(=O)C(Nc1c(C[C@H](N)C(=O)C=O)ccc([C@@H]2CCCN2)c1-c1nnc(S)n1-c1ccccc1)[C@@H](C)O,0.24, 0.12372589949634613),9953,TRUE
Cc1ccccc1C(C(=O)C(=O)C(N)[C@@H](C)O)(c1ccc(O)cc1)c1ccccc1N=Cc1ncoc1O,0.24, 0.15064608034730514),9960,TRUE
C[C@H](N)C[C@H](O)[C@H](C)NC(=O)/C=C/C(C)(N)C1C(=O)OC(OCC=O)(Oc2nc3ccccc3c3ccccc23)[C@@H]1C,0.24, 0.08201195007790336),9967,TRUE
CC[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)Oc1nc2ccccc2c2ccc(-c3ccc(N)cc3)c(NCC=O)c12,0.24, 0.07968398366327192),9974,TRUE
CC(C)[C@H](NC(=O)C(=O)[C@H](C)NC1(N)CC1)[C@@H](O)C[C@@H](C)C=O,0.24, 0.24843921188764093),9988,TRUE
CCC(C)(C)NC(C)(/C=C/C=O)NC1C(=O)OCC1Oc1c(C)cccc1Cc1c[nH]c2ccccc12,0.24, 0.15356346838294616),9995,TRUE
CC(C)C(=O)Nc1ccc(-c2ccc3c(c2)nc(OC(C)(N)/C=C/C=O)c2ccc(-c4ccc5[nH]ccc5c4)cc23)cc1,0.24, 0.07576602557534853),10002,TRUE
CC(C=O)Nc1ccc2oc(N([C@@H](C)C=O)C(C)(N)/C=C/C(=O)N[C@@H](CCC=O)C(=O)C(F)(F)F)cc(=O)c2c1O,0.24, 0.1098369107612049),10009,TRUE
Cn1ccc2nc(C(C)(/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)NC(=O)c3cnccn3)nc-2c1,0.24, 0.19320968327124471),10016,TRUE
[H]C(C)c1c(-c2ccc(-c3ccc(/C=C/C=O)cc3)c3cc(NC)[nH]c23)noc1C[C@H](N)C(=O)C=O,0.24, 0.18168120308924118),10030,TRUE
CC(C)C[C@@H](B(O)O)N(C(=O)C(=O)[C@H](C)N)C(=O)c1cc2cc(F)ccc2[nH]1,0.24, 0.4035058487529111),10044,TRUE
Cc1cc(-c2nc3ccccc3c3ccccc23)cc(C)c1C(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.12657996142789302),10051,TRUE
Cc1noc(Nc2ccc3c(OC(=O)C(=O)[C@H](C)N)nc4ccccc4c3c2)c1[N+](=O)[O-],0.24, 0.1510659849560551),10072,TRUE
CCCCC1(NC(=O)/C=C/C(C)NCc2cccc(C#N)c2)CC1[C@@H]1C[C@H]2CCCC(NC)[C@@H]2C(C(F)F)N1,0.24, 0.2893028345061862),10079,TRUE
CC(C)(C)NC(=O)C(=O)[C@@H](N)Cc1cc(O)c(O)c(O)c1,0.24, 0.39679855818265936),10086,TRUE
CC(N)(/C=C/C=O)N1CCC(N[C@H]2c3cc(-c4ccc(Oc5nc6ccccc6c6ccccc56)c5[nH]c(C=O)cc45)ccc3C[C@H]2O)NC1=O,0.24, 0.07207055085326189),10093,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2cc(C[C@@H](C=O)C[C@@H](C)O)ccc12)N[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](C)O1,0.24, 0.13843002760587853),10100,TRUE
CC(Oc1nc2ccccc2c2ccccc12)[C@@H](N)Cc1ccsc1C[C@H](N)C(=O)C=O,0.24, 0.2311904300050638),10107,TRUE
N[C@@H](Cc1cnc(S(=O)(=O)NCc2cccc(Cl)c2C(=O)O)c(NS(=O)(=O)C2CC2)c1)C(=O)C=O,0.24, 0.21437577941912522),10114,TRUE
CC(C)(C)NC(C)(/C=C/C=O)n1ccc2nc(-c3cc(C(F)(F)F)c(O)c(Cl)c3Cl)nc-2c1,0.24, 0.33647500323270224),10121,TRUE
N#Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cccc(C[C@H](NCc2cccc(N3CCNCC3)c2)C(=O)C(=O)O)c1,0.24, 0.32273179317817396),10135,TRUE
Cc1noc(Nc2ccc3c(nc(OC(=O)C(=O)[C@H](C)N)c4ccccc43)c2OCC(C)C)c1[N+](=O)[O-],0.24, 0.10926086078867388),10149,TRUE
C[C@@H](O)[C@H](Nc1ccc2c(OC(C)(N)/C=C/C=O)nc3cc(NS(=O)(=O)c4ccc(N)cc4)ccc3c2c1)C(=O)[C@H](C=O)CO,0.24, 0.029266933027201635),10156,TRUE
CCCNC(=O)/C=C/C(N)(Cc1cnc([SH](=O)=O)c(Oc2nc3ccccc3c3ccccc23)c1)On1nnc2ccccc21,0.24, 0.08389884189599411),10163,TRUE
C[C@@H](C(=O)C=O)N(Cc1ccc([N+](=O)[O-])cc1N[C@H](C=O)CCCCN)C(=O)c1cccs1,0.24, 0.13924752628132456),10184,TRUE
CC(N)(/C=C/C=O)Oc1nc2cc(Cc3ccc4c(c3-c3cccnc3)OCO4)ccc2c2cc([C@H](N)C=O)ccc12,0.24, 0.11282150522352116),10191,TRUE
CNc1c(C(=O)NC2CCCCC2)ccc2c(OC(N)(CC=O)[C@H](NC(=O)C(=O)[C@H](C)N)C(C)=O)nc3ccccc3c12,0.24, 0.09017128424799203),10198,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cccc([C@@H]3C[C@@H]4CCCC[C@@H]4CN3C(=O)c3nc4ccccc4[nH]3)c12,0.24, 0.10420577892376133),10205,TRUE
CC(C)[C@@H](C=O)Nc1c(CC2C(=O)OC[C@@H]2C)ccc(Cl)c1NC(=O)C(=O)[C@H](C)N,0.24, 0.3066130955888036),10212,TRUE
CCC(=O)NC(/C=C/C=O)(N[C@@H](C)[C@@H](O)C[C@H](C)N)C(c1cc([C@@H]2C[C@H]2NC(=O)c2ccco2)no1)C1CCC1,0.24, 0.1256813494312748),10219,TRUE
CCC[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.4434495366720937),10226,TRUE
Cn1ccc(-c2[nH]c3cc(CC(/C=C/C=O)NCc4ccccc4)ccc3c2N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)c1,0.24, 0.11719909537894933),10233,TRUE
CC(/C=C/C=O)(N[C@H](C=O)CCCC(N)c1cccc(C#N)c1)On1nnc2cccc(Oc3nc4ccccc4c4ccccc34)c21,0.24, 0.06530879142317307),10240,TRUE
CCC(C)(C)NC(=O)/C=C/C(C)(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)C(C)(C)C)N(CC=O)C1(CC)CCCCC1,0.24, 0.1309855612689591),10247,TRUE
CCC(C)(C)NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(Cc1c[nH]nn1)N(C(=O)[C@@H](N)CC(N)=O)c1cscn1,0.24, 0.0640448947280598),10254,TRUE
CC(N)(/C=C/C=O)c1cccc2[nH]c(Oc3nc4cccc(C[C@@H](N)CC=O)c4c4ccccc34)c(-c3ccccc3)c12,0.24, 0.09577739798238771),10261,TRUE
CC(=O)[C@H](C)N(C(=O)/C=C/C(C)(N)N(CC=O)c1cc2ccccc2s1)C(=O)[C@H](CC(C)C)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.13341808001925243),10268,TRUE
CC(Cc1cccc2cccc(C[C@H](N)C(=O)C=O)c12)Oc1nc2ccccc2c2ccccc12,0.24, 0.19497031591292693),10275,TRUE
CC(N)(/C=C/C=O)c1cccc(N(/C(=C\c2ccco2)C(=O)Oc2cncc(Br)c2)c2ccc(O)c(Cl)c2Cl)c1N,0.24, 0.0770324554608094),10282,TRUE
Cc1c(C(C)(/C=C/C=O)NCC(C)C)c(N(c2ccccc2O)S(=O)(=O)C2CC2)cc2c(O)ccnc12,0.24, 0.25786957984768083),10289,TRUE
Cc1ccc(N2CCOCC2CCC=O)c2c(C[C@H](N)C(=O)C=O)ccnc12,0.24, 0.5423014441159262),10296,TRUE
CC(N)(/C=C/C=O)c1nnc(Cc2cnc(S(N)(=O)=O)c(Oc3nc4ccccc4c4ccccc34)c2)cc1[C@@H]1CCCN1,0.24, 0.12595074656718425),10303,TRUE
CC[C@@H](N)Cc1c(C(=O)NC(C)(/C=C/C=O)O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[nH]c2ccc(Cl)cc12,0.24, 0.16611445451840182),10310,TRUE
CC(N)/C=C/C(=O)N[C@@H](Cc1cc(O)c(O)c(O)c1Cn1ccc2ncnc-2c1)C(=O)NN(C=O)CCC(N)=O,0.24, 0.057863846647527216),10317,TRUE
CSc1sc(Oc2cccc(C)c2)c(C)c1C[C@H](N)C(=O)C=O,0.24, 0.4704468101253554),10324,TRUE
CC(Cc1cnnn1C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)c1oc2cccc(O)c2c(=O)c1O,0.24, 0.1364802024105205),10331,TRUE
CCCCc1ccccc1-c1ccc2nc(NC3CC3NC(=O)[C@H](CCCC)NC(=O)C(=O)[C@H](C)N)[nH]c2c1,0.24, 0.19980901980030957),10338,TRUE
CCC(C[C@H](N)C(=O)N(CC=O)C(C)(N)/C=C/C=O)N(C(=O)c1cc2cc(Cl)ccc2[nH]1)[C@@H](C)[C@@H](C)O,0.24, 0.17361137403663007),10345,TRUE
CC(N)(/C=C/C=O)Oc1nc2cccc([C@@H]3CC4CCCCC4CN3)c2c2cccc([C@@H]3C[C@H]4CCCC[C@@H]4CN3)c12,0.24, 0.13047992291938806),10359,TRUE
CC[C@H](N)C(=O)N(C(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2ccccc12)C(C(=O)C(C)=O)[C@@H](C)O,0.24, 0.156776361259276),10366,TRUE
CC(/C=C/C=O)NC(N[C@@H](C)/C=C/C=O)(Oc1nc2ccccc2c2cc(-c3ccccc3Cl)ccc12)[C@@H](O)[C@H](C)N,0.24, 0.07528192889639451),10373,TRUE
NC(/C=C/C=O)(c1ccco1)C(Oc1nc2ccccc2c2ccccc12)c1ccc(NC2CCCC2)s1,0.24, 0.12136616710056784),10380,TRUE
C[C@H](NCc1cccc(Cl)c1)C(=O)C(N)=O,0.24, 0.7506116806379863),10394,TRUE
CC[C@@H](C=O)Nc1ccc2c(nc(OC(=O)C(=O)[C@H](C)N)c3ccccc32)c1-c1cccnc1,0.24, 0.17813382278695872),10401,TRUE
CC(N)(/C=C/C=O)OC(C(=O)N(C(=O)c1cc2c(O)cccc2[nH]1)c1cccc(C#N)c1)c1ccc2c(c1)OCO2,0.24, 0.1670642765567069),10408,TRUE
CC[C@H](C)c1cc(CN(C)C(=O)/C=C/C(C)(N)Oc2nc3ccccc3c3c(-c4cccc(/C=C/C=O)c4)cccc23)ccc1O,0.24, 0.06828856696378637),10415,TRUE
Cc1cccc(C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)C(=O)Oc2nc3ccccc3c3cccc(N[C@@H](C)C=O)c23)c1,0.24, 0.09961869831903075),10422,TRUE
CC(C)[C@H](Nc1ccc2c(OC(=O)/C=C/C(C)(N)NCC=O)nc3ccccc3c2c1)[C@@H](O)C[C@@H](C)C=O,0.24, 0.08767831378906794),10436,TRUE
[H]c1cc(C#N)cc2c1N(Cc1cccc3c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc13)C(=O)C2=O,0.24, 0.26197827269169527),10443,TRUE
C[C@H](NC(=O)/C=C/[C@@H](N)Cc1c(O)c(Cl)c(Oc2nc3ccccc3c3ccccc23)c(Cl)c1Cl)C(=O)C=O,0.24, 0.07707480607923779),10450,TRUE
CC(C)[C@H](NC(=O)[C@@H](N)[C@H](C)Oc1cc(Nc2ccc(NC(C)(N)/C=C/C=O)cc2)cnc1S(N)(=O)=O)[C@@H](O)C[C@@H](C)C=O,0.24, 0.07366866755052838),10457,TRUE
CC(C)[C@H](N)C(=O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)C=O,0.24, 0.47053082942687663),10464,TRUE
CCC[C@H](NC(CCCCN)C(=O)N1C[C@H]2CC(c3cccc(Cl)c3)CC[C@@H]2C[C@H]1C[C@H](N)C(=O)C=O)C(=O)C=O,0.24, 0.15131849177700477),10471,TRUE
C[C@@H](C=O)N[C@@H](Cc1c(Oc2nc3ccccc3c3ccccc23)cnn1C)C(=O)C(=O)N[C@H](C=O)CO,0.24, 0.14314739453425382),10478,TRUE
CC(C)(NCC=O)OC(C)(/C=C/C=O)N(CC=O)C(Oc1cccc2[nH]c(C=O)cc12)c1cc(C#N)cc(-c2ccc(Cl)cc2)c1,0.24, 0.08873647499875582),10485,TRUE
C[C@H](N)C(=O)C(=O)On1nnc2c1c(C1CC(c3cccc([N+](=O)[O-])c3)C1)ccc2,0.24, 0.28119953324753755),10492,TRUE
NC(/C=C/C=O)(Cc1ccc(O)cc1)Oc1ccc(O)cc1-c1cccc(Cl)c1Nc1ccccn1,0.24, 0.13405389803501405),10499,TRUE
N[C@@H](Cc1cccs1)C(=O)C=O,0.24, 0.5421687667384126),10506,TRUE
CC(C)(C)Nc1cccc2c1nc(OC(N)(/C=C/C=O)C(Nc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1)c1ccccc12,0.24, 0.03445953167931747),10513,TRUE
CC1(C)[C@H]2CN(C(=O)C(=O)[C@@H](N)Cc3ccc(-c4ccc5[nH]cnc5c4Sc4nncn4-c4ccccc4)cc3F)C[C@H]21,0.24, 0.25040779671848123),10520,TRUE
CC(C)COC(=O)CC[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)C(F)(F)F,0.24, 0.460085448233876),10527,TRUE
CC(C)[C@H](Nc1ccc(C[C@H](NC[C@H]2O[C@H](C)C[C@H]3CCC(c4cccc5cc[nH]c45)C[C@H]23)C(=O)C=O)c2cc[nH]c12)C(=O)C[C@@H](C)C=O,0.24, 0.08382575174588272),10534,TRUE
CCC(CN(C1CCCC1)[C@@H](C)C(=O)C(=O)N1CCNCC1)NC(C=O)CCC(=O)O,0.24, 0.27965335019398235),10548,TRUE
C[C@@H](Oc1cc(C(C)(N)/C=C/C(=O)OP(=O)(O)O)c(Cl)cc1F)[C@H](N)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.0910777847578855),10555,TRUE
Cc1cc(C(NCC=O)[C@H](N)C(=O)C=O)ccc1Oc1nc2cc(C(F)(F)F)cc(C=O)c2c2ccccc12,0.24, 0.174647782929722),10562,TRUE
CC1(Oc2nc3cccc(C4CC4)c3c3ccccc23)C(=O)OC[C@@H]1C[C@H](N)C(=O)C=O,0.24, 0.2644788728954319),10569,TRUE
N#Cc1cc(C[C@@H](N)CC=O)c2c(c1)C(=O)C(=O)N2Cc1c2c(cn1CC(N)/C=C/C=O)C(=O)C=CC2=O,0.24, 0.2600073083787785),10590,TRUE
CCC(N[C@H](C=O)C(C)Oc1nc2ccccc2c2ccccc12)C1=C(O)OC(C(C)(N)/C=C/C=O)CC1=O,0.24, 0.19186154645415682),10597,TRUE
N[C@H](C(=O)C(=O)NCC=O)C(c1c[nH]cn1)C1CC1,0.24, 0.4361311056767901),10604,TRUE
CCCc1cccc2c1nc(OC(=O)C(=O)[C@@H](N)Cc1cccc([N+](=O)[O-])c1)c1c(CCCC(=O)O)cccc12,0.24, 0.08472920327755562),10611,TRUE
CN(C(=O)/C=C/C(N)Cc1ccc2c(ccn2C(=O)Cc2cc(N)ccc2-c2ccoc(=O)c2)c1)C(=O)c1cnccn1,0.24, 0.2080982554386084),10625,TRUE
O=CC(=O)[C@H](Cc1c(O)c(Cl)cc(Cl)c1Cl)N[C@@H]1C[C@H]2CCCC(c3ccc(Cl)cc3Cl)[C@@H]2CN1,0.24, 0.2000747263170476),10632,TRUE
CCc1c2c(c(Oc3nc4ccccc4c4ccccc34)n1C(F)(F)c1ccc3nc(NC(=O)/C=C/C(C)N)[nH]c3c1)C(=O)C=CC2=O,0.24, 0.1218998002915815),10639,TRUE
CCCC(Oc1nc2c(-c3nc4ccccc4c4ccccc34)c(-c3ccc(N)cc3)ccc2c2ccccc12)[C@@H](C=O)NC(=O)C(=O)[C@H](C)N,0.24, 0.056617742278772684),10660,TRUE
C[C@H](NC(=O)/C=C/C(N)C(c1ccc([N+](=O)[O-])cc1CCC=O)N(C=O)C(C=O)[C@H]1COC(=O)C1)C(=O)C=O,0.24, 0.0676288609593718),10667,TRUE
CC(N)/C=C/C(=O)Oc1nc2cc(-c3cccc(Cl)c3N[C@@H](C)C=O)ccc2c2cc(N3CCNCC3)ccc12,0.24, 0.12109255540158856),10674,TRUE
CC(=O)N([C@@H](C=O)CC(C)C)C(C)(/C=C/C(=O)N[C@@H](CCC1CCC1)C(=O)O)NC(=O)[C@@H](N)C(C)(C)C,0.24, 0.15476584508496993),10681,TRUE
CC(=O)c1cc([C@H](N)C=O)c(CC(C)CN([C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(/C=C/C=O)Oc2nc3ccccc3c3ccccc23)o1,0.24, 0.05407987973233882),10688,TRUE
Cc1cccc(C2CCC(C(c3cc([C@H]4COC(=O)C4C)c(C=O)s3)[C@H](N)C(=O)C=O)C2)c1,0.24, 0.3586627450320247),10695,TRUE
N[C@@H](Cc1ccc2OCOc2c1)C(=O)C=O,0.24, 0.5738912689328733),10702,TRUE
CC(N)(/C=C/C=O)Nc1ccc(N)cc1-c1ccc([SH](=O)=O)nc1Oc1ccccc1-c1c[nH]cn1,0.24, 0.0755112259972842),10709,TRUE
CC(C)c1cc(C(C)(C)C)cc2nc(OC(=O)C(=O)[C@H](C)N)c3ccccc3c12,0.24, 0.39756855968808036),10716,TRUE
CC(C)OC1O[C@H]2OCC[C@H]2[C@H]1OC(=O)C(=O)[C@H](C)N,0.24, 0.5593434723856259),10730,TRUE
Cc1cccc(C)c1C(N[C@H](C)C(C(=O)NC(C)(/C=C/C=O)Oc1ccc(O)cc1)c1ccccc1)c1ccccc1,0.24, 0.10387313262670338),10737,TRUE
[H]c1c(O)cc(O)c2c(=O)cc(C[C@H](N)C(=O)C=O)oc12,0.24, 0.5224196562994474),10744,TRUE
Cc1nc(C2(C)C(=O)OC[C@@H]2Cc2cc(C)c(OC(=O)C(=O)[C@H](C)N)c(C)c2)cs1,0.24, 0.42611269249152256),10751,TRUE
Cc1ccc(C2C(N)C2(N)C(N[C@@H](C)C=O)(c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](N)C(=O)C=O)cc1,0.24, 0.13873166777268295),10758,TRUE
CNC(=O)/C=C/C(C)(N)c1ccc(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)c(-c2nc(S)[nH]c(=O)c2C#N)c1,0.24, 0.14546016035151438),10765,TRUE
NC(/C=C/C=O)(Cc1cc(-c2nc3ccccc3c3ccccc23)c2[nH]c(C=O)cc2c1)c1ccccc1F,0.24, 0.14228679000020128),10772,TRUE
C=C[C@@H]1C[C@H]1N(C(=O)/C=C/c1ccc2c(c1)OCO2)c1cc(CC(N)/C=C/C(=O)N[C@H](C(=O)CF)C(CC=O)c2cccnc2)oc1C=O,0.24, 0.12273091758151458),10779,TRUE
C[C@H](NC(C)(N)/C=C/C(=O)N[C@H](C(=O)C(F)(F)F)C(CC(N)=O)NS(=O)(=O)c1ccc(N)cc1)C(=O)C(F)(F)F,0.24, 0.07560353377830495),10786,TRUE
[H]c1cccc(N(C(=O)[C@@H](N)[C@H](C)CC)[C@@H](C)CCN[C@@H](C)C(=O)C=O)c1Cl,0.24, 0.44342003807550445),10793,TRUE
N[C@@H](Cc1nc(S)ncc1-c1ccc(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)cc1)C(=O)C=O,0.24, 0.0571220464386497),10800,TRUE
CC[C@@H](C=O)N(C1CCCCC1)C(c1ccc2[nH]ccc2c1)C(/C=C/C=O)N[C@H]1CN1c1ccc([N+](=O)[O-])cc1,0.24, 0.09907091771805618),10807,TRUE
N[C@@H](Cn1cc2c(c1-c1cccc3[nH]ccc13)C(=O)C=CC2=O)C(=O)C(=O)N1C[C@H]2CCC[C@H]2C1,0.24, 0.5561120546540804),10814,TRUE
N[C@@H](Cc1c(F)cc(F)cc1F)C(=O)C(=O)Oc1nc2ccccc2c2cc(-c3nc4ccccc4c4ccccc34)ccc12,0.24, 0.12291746884161887),10821,TRUE
CC(C)CN(C(C)(N)/C=C/C=O)C(C)(C(=O)C(F)(F)F)c1nnccc1-c1cc(-c2ccccc2Cl)nc(S)n1,0.24, 0.10746110549413908),10828,TRUE
CC(/C=C/C(=O)N(C(=O)c1cc2cc(F)ccc2[nH]1)[C@H](C(=O)C[C@@H](C)C=O)C(C)C)NCC(CN)N1C[C@H]2CCC[C@H]2C1,0.24, 0.22450978687221504),10835,TRUE
CC(C)C[C@@H](C=O)Nc1ccc2c(c1)nc(OC(=O)C(=O)[C@H](C)NCC(N)C(C)O)c1c(CC=O)cccc12,0.24, 0.10413411144414919),10842,TRUE
Cc1nc(-c2c(F)cc(F)c(C[C@H](N)C(=O)C=O)c2F)c(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)s1,0.24, 0.2312613919182203),10849,TRUE
CC(C)(C)OC(C)(N)/C=C/C(=O)Oc1c(Oc2ccccc2)ccnc1Oc1nc2ccccc2c2ccccc12,0.24, 0.09287802272690371),10856,TRUE
CC(C)[C@H](NC(=O)/C=C/C(N)Cc1ccc(F)cc1)C(=O)Oc1nc2ccc(OP(=O)(O)O)cc2c2ccccc12,0.24, 0.09323401677356896),10863,TRUE
CC(=O)Nc1ccc(S(=O)(=O)NC(=O)C(=O)[C@H](C)N)c(NC(C)(C)C)c1Oc1nc2ccccc2c2ccccc12,0.24, 0.17804161571925942),10870,TRUE
NCCCC[C@@H](C=O)NC(=O)/C=C/C(N)CC1CCC(Oc2nc3ccccc3c3ccccc23)CC1,0.24, 0.14600382344063473),10877,TRUE
CC(C)C[C@H](Nc1cccc(C[C@H](N)C(=O)C(=O)Oc2nc3c(C4CCOC4=O)cccc3c3ccccc23)c1)B(O)O,0.24, 0.08926311192890356),10884,TRUE
C=C(CC)C(=O)c1cc(-c2c(C)noc2C)cc2nnn(OC(C)(N)/C=C/C(=O)Nc3cc(Cl)cc(Cl)c3)c12,0.24, 0.15406804027152093),10891,TRUE
N[C@@H](C[C@H]1CN1C1CCCCC1)C(=O)C=O,0.24, 0.41917761992605207),10898,TRUE
C[C@@H](C=O)Nc1cc2c(cc1CCCC(=O)O)c(OC(N)(/C=C/C=O)Cc1ccccc1)nc1ccccc12,0.24, 0.09792395390602412),10905,TRUE
N[C@@H](Cc1nc(C=Nc2ccc(C(NCC=O)N3C(=O)C(=O)c4cc(F)ccc43)cc2)c(O)o1)C(=O)C=O,0.24, 0.1861383672215292),10912,TRUE
CC(N)(/C=C/C(=O)Nc1c(Cl)cccc1-n1cc2c(c1)C(=O)C=CC2=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.14853111609003594),10919,TRUE
NCCCC[C@@H](C=O)Nc1ccc2c(OC(=O)C(=O)[C@@H](N)Cc3nccs3)nc3ccccc3c2c1,0.24, 0.08675528097376957),10926,TRUE
[H]C1C(=O)C(C(N)CC)=C(O)OC1C[C@@H](C(=O)C=O)N(Cc1ccccc1)C(C)C,0.24, 0.4562742956508292),10933,TRUE
[H]OC(=O)C(=O)[C@@H](N)Cc1cc(-c2ccc3c(c2)OCO3)n([H])c1,0.24, 0.7079019508585179),10947,TRUE
N[C@H](C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)C(c1ccno1)n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.1903428654484929),10954,TRUE
CC(N)(/C=C/C=O)c1ccc(CC(N)(Oc2nc3ccccc3c3ccccc23)C(=O)C(F)(F)F)c(-c2cccc3ccccc23)c1F,0.24, 0.054598466163630406),10961,TRUE
CC(/C=C/C=O)(NCc1cccc(Cl)c1)Oc1nc2ccccc2c2cc(-c3ccc(/C=C/C=O)cc3)ccc12,0.24, 0.08466889566190083),10968,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccccc1,0.24, 0.5320470866249444),10975,TRUE
C[C@H]1O[C@@H](c2cc(C3CCC4CN(c5cccc(C(C)(N)/C=C/C=O)c5N)CCC4C3)cc([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.10487634582895755),10982,TRUE
Cc1cc(CC(C)N[C@@H](C)C=O)c(Oc2cccc(C)c2N[C@H](C=O)CCCCN)c(C(C)(N)/C=C/C=O)c1,0.24, 0.13386773493869425),10989,TRUE
C[C@H](NCc1ccccc1)C(=O)C(=O)On1nnc2cc(Oc3nc4ccccc4c4ccccc34)c(Cc3ccccc3)cc21,0.24, 0.11098160670542713),10996,TRUE
C[C@@H](C(=O)C=O)N(C(=O)[C@@H](N)CC(C)(C)c1nc2ccccc2c2ccccc12)c1cc(CC(=O)[C@@H](N)CCC=O)n(C)n1,0.24, 0.12575858234617968),11003,TRUE
Cc1ccc(C(CC=O)(c2nnc3n2CC(c2ccccc2)NC3)[C@H](NC(C)(N)/C=C/C=O)C(=O)C(F)(F)F)nn1,0.24, 0.17575367909223058),11010,TRUE
CCCC1=C(O)OC(c2c(O)c(-c3nc4ccccc4c4ccccc34)c(O)c3c(=O)c(O)c(C[C@H](N)C(=O)C=O)oc23)CC1=O,0.24, 0.09166025114454276),11017,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1nc2c(Nc3ccc4cc[nH]c4c3)cccc2c2ccccc12,0.24, 0.21863991489225582),11024,TRUE
CC(C)C[C@H](C=O)NC(NC(C)/C=C/C=O)c1ccc(Cl)cc1N(C)Cc1cc(C(=O)/C=C(\O)C(=O)O)c2cc[nH]c2c1,0.24, 0.049133470822605066),11031,TRUE
Cc1noc(NC(OC(=O)C(=O)[C@H](C)N)(Oc2c(Nc3ccc([N+](=O)[O-])cc3Cl)ccc3[nH]c(C=O)cc23)C(N)=O)c1[N+](=O)[O-],0.24, 0.034863775567351735),11038,TRUE
CC(/C=C/C=O)(NC1CCOC1=O)N[C@@H](CC(N[C@@H](CCC=O)C(=O)C(F)(F)F)C(=O)O)C(=O)C(F)(F)F,0.24, 0.06755075543480826),11045,TRUE
CN(C)C(=O)/C=C/C(N)(Cc1cccc(Oc2nc3ccccc3c3ccccc23)c1)Oc1ccccc1,0.24, 0.15725045011331962),11059,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(CCC=O)cccc2c2cc(NC(C=O)C(CC(=O)O)[C@@H]3C[C@H]4CCCC[C@@H]4[C@@H](C)O3)ccc12,0.24, 0.10555089963923191),11073,TRUE
CC(N)(/C=C/C=O)c1cc(-c2cccnc2)cc2c(-n3nnc4cccc(C(=O)/C=C(\O)C(=O)O)c43)cccc12,0.24, 0.11440939977564993),11080,TRUE
[H]C(c1ccc2[nH]cnc2c1)[C@H](N)C(=O)C(=O)Oc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1,0.24, 0.1604463545901675),11087,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)Nc1ccc(N)cc1-c1c(F)cc(F)cc1F,0.24, 0.07855492003458887),11094,TRUE
Cc1cccc(C)c1Oc1cc(-c2cc(O)c3c(=O)c(O)c(C[C@H](N)C(=O)C=O)oc3c2)ccc1F,0.24, 0.25976046471855074),11101,TRUE
CSC1(N2CCOCC2)Cn2cnnc2CN1C(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2ccccc12,0.24, 0.2220171177666864),11108,TRUE
Cc1cccc(C)c1-c1cc(CN[C@H](CC(C)C)C(=O)NC(C)/C=C/C(=O)N[C@H](C=O)[C@H](C)O)cn1C,0.24, 0.24453897991964535),11115,TRUE
CC(/C=C/C=O)(NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2N)cc1CC(N)C(=O)C(F)(F)F)Oc1ccc(O)cc1,0.24, 0.19823866913849134),11129,TRUE
CCC(C)(C)NC(c1ccc(-c2ccc(F)cc2)cc1)C(/C=C/C(=O)OCC=O)(NC=O)NC=O,0.24, 0.164843548557809),11143,TRUE
O=CC(=O)[C@H](Cc1cc(O)c(O)c(O)c1CCCC(=O)O)N[C@H]1CO1,0.24, 0.16671659750246998),11150,TRUE
Cc1c(N(c2cccc3c2nc(OC(C)(/C=C/C=O)NC(C)(C)C)c2ccccc23)S(=O)(=O)C2(C)CC2)ccc2cccnc12,0.24, 0.07859905766987087),11157,TRUE
NCCCC[C@@H](C=O)Nc1c(-c2cc(Cl)cc([C@@H]3CCCN3)c2C[C@H](N)C(=O)C=O)cc(O)c2c(=O)ccoc12,0.24, 0.08903034177706204),11164,TRUE
CC(/C=C/C(=O)N(c1ccccc1N)[C@@H](CCC=O)C(=O)CF)(NCC=O)c1cccc2ccccc12,0.24, 0.2080231594646626),11171,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.45474966002437955),11178,TRUE
CCC1(c2cccnn2)Oc2cc(CC(/C=C/C=O)NC=O)cc(-c3cnc(C(=O)[C@H](C)N)s3)c2O1,0.24, 0.22700775218355393),11199,TRUE
CCCCNC(C)(/C=C/C=O)Oc1nc2ccccc2c2c([C@H](C=O)C(C)C)c(-c3ccno3)c(CCCC)cc12,0.24, 0.05315006120725294),11206,TRUE
CC(/C=C/C=O)(NC=O)n1nnc2cccc(C3([C@H]4NC[C@@H]5CC(Oc6nc7ccccc7c7ccccc67)C[C@H]45)CC3)c21,0.24, 0.1452609322115371),11213,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](Cc1nc2ccccc2c2cccc(-c3ccc4[nH]c(C=O)cc4c3)c12)NC(C)(N)/C=C/C=O,0.24, 0.06135154973792806),11227,TRUE
CC(N)(/C=C/C=O)OC(C)(C)c1ccc(-c2cc(-c3ccccc3Cl)c3[nH]c(C=O)cc3c2)cc1F,0.24, 0.1570635259223361),11234,TRUE
CCCC1=C(O)OC(c2sc(N(c3cccc(F)c3C(C)(N)/C=C/C=O)[C@@H](CCC(=O)O)C(=O)C(F)(F)F)nc2C)CC1=O,0.24, 0.14224654830101433),11241,TRUE
Cc1ccc(C[C@H](N)C(=O)C(=O)N[C@H](C=O)CCCC(N)c2oc3cc(O)cc(O)c3c(=O)c2O)cc1,0.24, 0.16015263370421357),11262,TRUE
C[C@H]1O[C@H](NC(C)(/C=C/C=O)Oc2nc3ccccc3c3ccccc23)C[C@H]2CCCC(NS(=O)(=O)c3ccccn3)[C@@H]21,0.24, 0.11761868339081617),11269,TRUE
C#CC(c1ccc([SH](=O)=O)nc1)[C@@H](C=O)NC(=O)C(=O)[C@@H](N)Cc1cc2nc[nH]c2cc1-c1ccnc2c(C)cccc12,0.24, 0.08145844204980753),11283,TRUE
O=CC(=O)[C@H](Cn1ccc2ncnc-2c1C1CCCC1)Nc1ccc(Cc2ccc(C(=O)CF)o2)cc1,0.24, 0.18108120340340317),11290,TRUE
C=C[C@@H]1C[C@]1(NC(=O)CC(C)C)c1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3c(Nc4ccccc4)cccc3c2c1,0.24, 0.1028499765656537),11297,TRUE
CC1C(=O)OC[C@@H]1N[C@@H](Cc1nc2ccccc2c2c(NC=O)cccc12)C(=O)C=O,0.24, 0.2475598759232967),11304,TRUE
[H]N[C@@H](Cc1ccnc2c(C)cccc12)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.25139634630497737),11311,TRUE
CC(N)(/C=C/C=O)c1scnc1-n1nnc2cccc(CC3CC(On4nnc5ccccc54)OC3=O)c21,0.24, 0.17924138397926595),11318,TRUE
CC(N)(/C=C/C=O)Oc1nc2cccc(CN3C(=O)C(=O)c4cc(C#N)ccc43)c2c2cccc([C@@H]3C[C@H]3N)c12,0.24, 0.1205891955152953),11325,TRUE
[H]NC([H])N[C@@H](Cc1ccc(CC=O)c2[nH]cc([H])c12)C(=O)C=O,0.24, 0.36251221013531193),11332,TRUE
N[C@H](C(=O)C=O)C(c1cccnn1)C1(Nc2ccc([N+](=O)[O-])cc2Cl)CCCC1Oc1nc2ccccc2c2ccccc12,0.24, 0.06874772069082538),11339,TRUE
Cc1ccc(CSc2cccc3c2nc(OC(=O)C(=O)[C@H](C)N)c2ccccc23)cc1,0.24, 0.20456698148984073),11346,TRUE
[H]N(C(=O)[C@@H](N)C(C)Oc1nc2ccccc2c2ccccc12)C(=O)[C@@H](O)C(C=O)NC(C(=O)C(C)=O)[C@@H](C)O,0.24, 0.11369180403794014),11353,TRUE
N[C@@H](Cc1oc2cc(O)cc(O)c2c(=O)c1-c1cc(O)c(O)c(N2C[C@H]3CCC[C@H]3C2)c1)C(=O)C=O,0.24, 0.19394941153008427),11360,TRUE
NC(=O)CCN(C=O)N(C(=O)[C@@H](N)Cc1c(F)cc(F)c(C[C@H](N)C(=O)C(N)=O)c1F)c1cccc2[nH]ccc12,0.24, 0.10629200202370659),11367,TRUE
CC(/C=C/C(=O)NS(=O)(=O)c1ccc(N)cc1)(NC(C=O)N[C@@H](CCC=O)C(=O)C(F)(F)F)Oc1nc2ccccc2c2ccccc12,0.24, 0.0472987242728773),11374,TRUE
Cc1cc(NC2CCCC2NS(=O)(=O)c2ccc(N)cc2)cc(C)c1OC(C)(/C=C/C=O)NCc1ccc(Cl)cc1,0.24, 0.09433420398740548),11381,TRUE
CCCC1=C(O)OC(Oc2nc3ccccc3c3ccccc23)(C(C)(N)/C=C/C(=O)On2nnc3ccccc32)CC1=O,0.24, 0.15036019972571885),11388,TRUE
CC(N)(/C=C/C=O)Nc1nc(Oc2nc3ccccc3c3ccccc23)ccc1N[C@H](C=O)CCCC(N)=O,0.24, 0.08708239708005171),11395,TRUE
CC(N)(/C=C/C(=O)N(CC=O)c1oc2cc(O)c(NS(=O)(=O)c3ccc(N)cc3)c(O)c2c(=O)c1O)c1nc(S)[nH]c(=O)c1C#N,0.24, 0.0300637582847502),11423,TRUE
CCCN(c1csc(C)n1)c1cc(O)cc(-c2ccc3cccc(C)c3n2)c1C[C@H](N)C(=O)C=O,0.24, 0.2555387408582884),11430,TRUE
NCCCC[C@@H](C=O)NC(/C=C/C=O)(Cc1cc(B(O)O)cc([N+](=O)[O-])c1)Oc1ccc(O)cc1CC(=O)c1ccco1,0.24, 0.02065679374227926),11437,TRUE
CC(N)(/C=C/C=O)c1cc(Oc2nc3ccccc3c3ccccc23)c(Cl)cc1CCc1cccc(Cl)c1Cl,0.24, 0.1139900655296793),11444,TRUE
C[C@H](N)/C=C/C(=O)N(C(=O)/C=C/C(N)Cc1c(F)cc(CC[C@H](N)C(=O)O)cc1Oc1ccccc1)[C@@H](C)[C@@H](C)O,0.24, 0.21299833391671946),11451,TRUE
Cc1cc(NS(=O)(=O)C2(Cc3ccc4c(c3)OCO4)CC2)cc(C)c1OC(=O)C(=O)[C@H](C)N,0.24, 0.3383354046156986),11458,TRUE
[H]N[C@@H](Cc1cccc2[nH]ccc12)C(=O)C=O,0.24, 0.5860996805754763),11465,TRUE
CC(C)[C@@H](C=O)C1C(c2ccc(Cl)cc2Cl)CC[C@@H]2[C@@H](CN[C@@H](C)C(=O)C=O)O[C@H](C)C[C@@H]12,0.24, 0.3799303448188509),11472,TRUE
[H]c1c(-c2cc3c(nc(C)n3C)c(NC(N)=O)c2C[C@H](N)C(=O)C=O)cc(B(O)O)cc1[N+](=O)[O-],0.24, 0.0923589783029008),11479,TRUE
CC(C)C[C@H](Nc1cc2c(c(-c3ccc(Br)cc3)c1)[C@H](NC(C)(N)/C=C/C=O)[C@H](O)C2)B(O)O,0.24, 0.12075274809660326),11486,TRUE
N[C@@H](Cc1nnc(S)n1-c1ccccc1-c1cc(Sc2ccccc2)c(F)cc1Cl)C(=O)C=O,0.24, 0.20001146314211274),11493,TRUE
C[C@@H](O)[C@@H](C=O)NC(c1ccc(O)cc1)C(/C=C/C=O)(NCCC(=O)O)OC(C)(C)c1ccc(OC(C)(C)C)cc1,0.24, 0.11483361413212849),11500,TRUE
CC(C)(Oc1cc(C(CCc2cccs2)C2=C(O)OC(CC(N)/C=C/C=O)CC2=O)cc2nc[nH]c12)C(N)=O,0.24, 0.19502147661588873),11507,TRUE
[H]C(=O)C(=O)[C@@H](N)C(c1ccccc1)[C@H]1NC[C@H]2[C@@H]1C2(C)Cc1ccccc1,0.24, 0.5857270670572869),11514,TRUE
N[C@@H](CC1(CC=O)CCC(Oc2nc3ccccc3c3ccccc23)C1c1oc2cc(O)cc(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.10927288021309853),11521,TRUE
N[C@@H](Cc1oc2cc(O)c(CC=O)c(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.3932543445575468),11535,TRUE
CC(N)/C=C/C(=O)Nc1ccc(C(=N)Nc2ccc(Br)c(Oc3nc4ccccc4c4ccccc34)c2)cc1C[C@H](N)C(=O)C=O,0.24, 0.02883895459691442),11542,TRUE
[H]N(C(=O)C(=O)[C@H](C)NC(C)(N)/C=C/C(=O)NC)c1cccc2cc[nH]c12,0.24, 0.28194101826071793),11549,TRUE
COc1cccc2c1c(OC(=O)C(=O)[C@@H](N)Cc1ccccc1N)nc1ccc(-c3ccc4[nH]cnc4c3)cc12,0.24, 0.11753958533740894),11556,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(N3C[C@H]4[C@@H](C3)C4(C)C)cccc2c2ccccc12,0.24, 0.40869095434831254),11563,TRUE
[H]Oc1cc2c(cc1/C=C/C(=O)N[C@@H](C)C(=O)C=O)OC(C[C@@H](C=O)NC1CC3CCCCC3CN1)(C1CCCC1)O2,0.24, 0.18025369068217334),11570,TRUE
C[C@H](O)[C@H](N)C(=O)NC(C)(/C=C/C(=O)N(C(=O)/C=C/c1ccccc1)c1ccc(N)cc1)Oc1ccccc1,0.24, 0.17958486001838292),11577,TRUE
CC(N)(/C=C/C=O)c1cnc(S(N)(=O)=O)c(N[C@@H](CCC=O)C(=O)C(F)(F)F)c1Sc1ccccc1,0.24, 0.2693143703783346),11584,TRUE
C=C[C@@H]1C[C@]1(N)c1cnc(-c2nccs2)c(OC(=O)C(=O)[C@@H](N)CC2CC2)c1,0.24, 0.3969148559473016),11591,TRUE
CC(=O)n1ccc2cc(-c3ccc(-c4c[nH]cn4)c4c3c(OC(=O)/C=C/C(C)(N)c3ccon3)nc3ccccc34)ccc21,0.24, 0.1306086676299781),11598,TRUE
C[C@@H](O)C(Nc1ccc(O)c(OC(C)(N)/C=C/C(=O)O)c1)C(=O)C(=O)Cc1nnc2n1CCNC2,0.24, 0.10084463725867036),11605,TRUE
N[C@@H](Cc1cc(Br)cnc1-c1c(N=Cc2ncoc2O)ccc(O)c1CC=O)C(=O)C=O,0.24, 0.22564481100095207),11612,TRUE
CC(N)/C=C/C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1c2ccc(CCC(=O)Nc3ccccc3Cl)cc2C[C@H]1O,0.24, 0.16441207002837668),11626,TRUE
NC(F)(F)C(=O)c1ccc(C[C@H](NC2CC3CCCCC3(c3cc(=O)c4c(O)cc(O)cc4o3)CN2)C(=O)C=O)o1,0.24, 0.10942608217297918),11640,TRUE
CC(C)[C@H](N)C(=O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)C(=O)O,0.24, 0.52680253116983),11647,TRUE
CC[C@H](NC(N)[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)C(=O)O,0.24, 0.1833726352198147),11654,TRUE
CC(/C=C/C=O)(N[C@H]1CN1c1cc(O)c(O)cc1Nc1ccccc1Cl)O[C@H]1CO[C@H]2OC([C@@H]3C[C@H]3N)C[C@H]21,0.24, 0.07401381287429783),11661,TRUE
CSc1ccc(N[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C=O)c2c1c(OC(=O)C(=O)[C@H](C)N)nc1c(-n3ccnn3)cccc12,0.24, 0.07408588485089108),11668,TRUE
CC(C)COC(=O)/C=C/C(N)(Oc1ccccc1)C(Oc1nc2ccccc2c2ccccc12)c1cccc2cc[nH]c12,0.24, 0.07654578073243223),11675,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(NC3CCCCC3)cccc2c2ccccc12,0.24, 0.3884348239506097),11682,TRUE
N[C@@H](Cc1oc2cc(O)c(CC3CCOC3=O)c(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.288988010233692),11689,TRUE
CCCc1ccc2c(c(OC(=O)C(=O)[C@H](C)N)nc3ccccc32)c1N[C@H](C=O)C(C)N[C@@H](C)C(=O)C=O,0.24, 0.13211596811547935),11696,TRUE
Cc1cnc(C(=O)N(C(=O)/C=C/C(C)N)[C@@H](C)C(=O)Cc2c[nH]c(Sc3cccc(-c4ccnn4C)c3)n2)cn1,0.24, 0.2795475941153664),11703,TRUE
CC(C=O)Nc1cccc2c1c(OC(=O)C(=O)[C@@H](N)Cc1ccccc1/C=C/C=O)nc1c([C@H](C=O)C(C)C)cccc12,0.24, 0.07638508711771391),11710,TRUE
CCNC(C)/C=C/C(=O)N[C@@H](C)C(=O)c1nc(Oc2nc3c(Nc4ccccn4)cccc3c3ccccc23)cs1,0.24, 0.10097230973504868),11717,TRUE
CC(N[C@H](C=O)CCCCN)c1cccc2c1c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.13322628281690813),11731,TRUE
N[C@@H](Cc1nc2ccn(Cn3ccnn3)cc-2n1)C(=O)C(=O)Nc1c[nH]c2ccccc12,0.24, 0.32719263818122873),11738,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccc(-c3ccccc3O[C@H]3CO[C@H]4OCC[C@@H]34)cc12,0.24, 0.24120705428976197),11745,TRUE
Cc1cccc(Oc2c(C=O)[nH]c3ccc(C(O[C@H]4CO[C@H]5OCC[C@@H]45)[C@H](N[C@H]4CO4)C(=O)C=O)cc23)c1,0.24, 0.2227206252375529),11752,TRUE
CC[C@@H](C)[C@@H](C=O)N(C(=O)/C=C/C(C)NC(=O)[C@H](CC(C)C)NC(=O)/C=C/[C@H](C)N)c1ccoc(=O)c1,0.24, 0.2528254200064037),11759,TRUE
Cn1ccc(CC(N)(/C=C/C=O)Oc2ccc(Oc3nc4ccccc4c4ccccc34)cc2CCC=O)c1,0.24, 0.10436052066428778),11766,TRUE
CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C2CC(C)CCN2C(=O)/C=C/C(C)(N)Oc2nc3ccccc3c3ccccc23)cc1,0.24, 0.11873224328259491),11773,TRUE
Cc1c(C[C@H](N)C(=O)C=O)cc(C[C@H](N)C(=O)C=O)c(O)c1Cn1cc2c(c1-c1ccccc1)C(=O)C=CC2=O,0.24, 0.23900405444202455),11780,TRUE
NC(=O)CC(Oc1nc2ccccc2c2ccccc12)[C@H](Nc1nc2cc(C[C@H](N)C(=O)C=O)cc([C@H](N)C=O)c2[nH]1)C(=O)C(F)(F)F,0.24, 0.06581382560531526),11787,TRUE
C[C@H](N)C(=O)C(=O)N1C[C@@H]2CC(N[C@@H](CCC=O)C(=O)CF)(C(F)(F)F)C[C@@H]2C1Oc1nc2ccccc2c2ccccc12,0.24, 0.14452949357019518),11794,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cccc(C[C@@H](CCn3[nH]c(=O)c4ccccc4c3=O)Nc3cccc(/C=C/C=O)c3)c12,0.24, 0.05641527258144406),11801,TRUE
C[C@H]1O[C@H](NC(C)(/C=C/C=O)Oc2nc3ccccc3c3cc(Nc4ccc(-c5ccccc5)cc4)ccc23)C[C@H]2CCCC[C@@H]21,0.24, 0.07494640032906148),11808,TRUE
CC(=O)N(C(=O)/C=C/C(C)(N)c1cc(Oc2nc3ccccc3c3ccccc23)cnn1)[C@H](C=O)[C@H](C)O,0.24, 0.20592586615549557),11815,TRUE
CC(C)C[C@H](Nc1cccc2c1c(OC(F)(F)C(=O)c1ccc(C(C)(N)/C=C/C=O)o1)nc1ccccc12)B(O)O,0.24, 0.06359316696508517),11822,TRUE
C[C@H](Nc1ccco1)C(=O)C(=O)O[C@H]1CO[C@H]2OCC(c3cc(O)c(O)c(O)c3)([C@@H]3CCCN3)[C@@H]12,0.24, 0.2175462917911361),11829,TRUE
C[C@H](NCC(CN)c1ccccc1F)C(=O)C(=O)Nc1ccc(N(Cc2ccc(Cl)cc2)c2oc3cc(O)cc(O)c3c(=O)c2O)cc1,0.24, 0.09555768072531529),11836,TRUE
N[C@H](C(=O)C=O)C(c1ccc(-c2cc(O)c(O)c(O)c2)c(-c2ccc(O)cc2)c1)C1CC1,0.24, 0.21830252221063426),11843,TRUE
CC(N)(/C=C/C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Oc1nc2ccccc2c2ccccc12)NC1CCCC1OCC(N)=O,0.24, 0.0594760945988116),11850,TRUE
CC[C@@H](C=O)NC1NCCN[C@@H]1C(Oc1cccc(C[C@H](N)C(=O)c2nccs2)c1)C(N)/C=C/C=O,0.24, 0.13356043163634407),11857,TRUE
CC1(C)[C@H]2CN[C@H](C([C@H](N)C(=O)C=O)N3CCOCC3)[C@H]21,0.24, 0.50121275953091),11864,TRUE
N[C@H](C(=O)C=O)C(c1ccc(-c2cccc(Oc3nc4ccccc4c4ccccc34)c2[N+](=O)[O-])c2[nH]c(C=O)cc12)C1CC1,0.24, 0.05838410653337854),11871,TRUE
CC1(C)[C@H]2CN(C(=O)C(=O)[C@@H](N)Cc3c(/C=C/C=O)cccc3Nc3ccccc3)C[C@H]21,0.24, 0.38043393904827827),11878,TRUE
Cc1cccc2c(C[C@H](N)C(=O)C(=O)Oc3nc4ccccc4c4cc(N[C@@H](C)CCC=O)ccc34)ccnc12,0.24, 0.11016358500155908),11885,TRUE
[H]c1c(O)cc(O)c2c(=O)c(O)c(-c3sc(C[C@H](N)C(=O)C=O)nc3C)oc12,0.24, 0.36695339001091126),11892,TRUE
C[C@@H](C(=O)c1nccs1)N(C(=O)/C=C/C(C)(N)c1ccc(-c2c[nH]cn2)c(Cl)c1Cl)C(=O)c1ccc(Cl)s1,0.24, 0.18075275733691726),11899,TRUE
CNC(=O)C(=O)[C@H](C)N(c1oc2cc(O)cc(O)c2c(=O)c1O)C(C)(N)/C=C/C(=O)OCC(=O)N1CCNCC1,0.24, 0.08999027859937918),11906,TRUE
C[C@@H](C=O)NC(c1cccc([N+](=O)[O-])c1)C(/C=C/C=O)(NC(c1cccnc1)C1CCC1)c1ccoc(=O)c1,0.24, 0.14522480808035507),11913,TRUE
CC[C@@H](C(=O)O)N(CC(C)C)C(C)(/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)Oc1c(C)cccc1C,0.24, 0.2149236221748577),11920,TRUE
C[C@H](N[C@@H]1C[C@H]2CCCC[C@@H]2C(Oc2nc3ccccc3c3ccccc23)N1)C(=O)C=O,0.24, 0.34932230142282167),11927,TRUE
CC(C)COC(N[C@@H](C)C(=O)C(=O)N[C@H](C(=O)NS(=O)(=O)C1CC1)[C@H](C)O)c1ccc([N+](=O)[O-])cc1,0.24, 0.11275626726378482),11934,TRUE
CC(C)C[C@H](C=O)N(C(=O)[C@H](C)CC(=O)[C@@H](N)C(C)C)c1nccnc1C(=O)N(c1ccoc(=O)c1)C(C)/C=C/C=O,0.24, 0.2432187806635689),11941,TRUE
[H]C1CC(C[C@H](N)C(=O)C=O)C(=O)O1,0.24, 0.3458806153219315),11955,TRUE
CC1C(=O)OC[C@@H]1c1cc(Cl)ccc1Nc1ncsc1C(c1cc2ccccc2s1)[C@H](N)C(=O)C=O,0.24, 0.1783661001833996),11962,TRUE
Nc1ccc(NC(c2ccc(O)cc2)[C@H](N)C(=O)C(=O)N2CCNC(c3ccc(F)c(Oc4nc5ccccc5c5ccccc45)c3)C2)cc1,0.24, 0.07259125449813598),11969,TRUE
CC(/C=C/C=O)N(C(=O)CCCCC(N)c1ccccc1)[C@H]1O[C@H](C)[C@H]2CCCC[C@@H]2C1c1cc(O)c(O)c(O)c1,0.24, 0.11957385914887109),11983,TRUE
CC(C)CNC(=O)C(=O)[C@@H](N)Cc1cc(CN2C(=O)C(=O)c3cc(F)ccc32)cc([C@H]2COC(=O)C2C)c1,0.24, 0.37924431566118255),11990,TRUE
CC(=O)n1ccc2cc(CC(N)(/C=C/C=O)Oc3nc4ccccc4c4ccc(Nc5cc(Cl)cc(Cl)c5)cc34)ccc21,0.24, 0.07835994258958068),11997,TRUE
CC[C@@H](N)Cc1cc(OC(C)(C)Oc2nc3ccccc3c3ccc([C@H](N)C=O)cc23)c(C(C)(N)/C=C/C=O)nn1,0.24, 0.1009749700698166),12004,TRUE
N[C@@H](C[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C(=O)C=O,0.24, 0.5567016766873706),12011,TRUE
CC(C)C[C@H](Nc1ccc(OC(C)(N)/C=C/C=O)cc1N(C(=O)c1cccs1)c1ccc(-c2ccccc2)cc1)B(O)O,0.24, 0.06410286176412512),12018,TRUE
C[C@@H](O)[C@@H](C=O)NC(=O)/C=C/C(C)(NCc1ccc(Cl)cc1)Oc1nc2ccccc2c2ccccc12,0.24, 0.12345958209149108),12032,TRUE
Cc1noc(N(C(=O)c2nccnc2N2CCNCC2)C(N)(/C=C/C=O)Cc2c(F)cc(F)cc2F)c1[N+](=O)[O-],0.24, 0.12841895587374536),12053,TRUE
C[C@H](Nc1ccc2nc(OC(C)(N)/C=C/C=O)c3c(Cc4ccc5c(c4)OCO5)cccc3c2c1)[C@@H](C)O,0.24, 0.1276980780183814),12060,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccc(C[C@H](NC(=O)c3cc4cc(F)ccc4[nH]3)C(=O)C(F)(F)F)cc2c2ccccc12,0.24, 0.0702145566182535),12067,TRUE
NC(/C=C/C=O)(Cc1ccccc1)Oc1nc2ccccc2c2cccc(CS(=O)C3=[SH]c4ncccc4N3)c12,0.24, 0.0599085999937908),12074,TRUE
NC(/C=C/C=O)Cc1nnc2n1CC(c1cncc(Br)c1)(c1cc(Oc3nc4ccccc4c4ccccc34)ccn1)NC2,0.24, 0.13311294195996318),12081,TRUE
C[C@H](N)C(=O)C(=O)N(C(=O)c1cc(Oc2nc3ccccc3c3ccccc23)c(Cl)s1)[C@H](C(=O)C(F)(F)F)C(O)CC(=O)O,0.24, 0.1669482175007383),12088,TRUE
CCN[C@@H](C)C(=O)C(=O)Oc1nc2c(Cn3cc4c(c3)C(=O)C=CC4=O)cccc2c2ccccc12,0.24, 0.24391801487141254),12095,TRUE
Cc1c(C(C)(N)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)c(-c2cccc(Cl)c2Cl)cc2c(O)ccnc12,0.24, 0.11849676319396169),12102,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccc(NC)c(Nc3nc4ccccc4[nH]3)c12,0.24, 0.17250128650140317),12109,TRUE
C[C@H](NC(c1cc(B(O)O)cc([N+](=O)[O-])c1)C(/C=C/C=O)N[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C(=O)c1nccs1,0.24, 0.06464272260249208),12116,TRUE
N[C@@H](Cc1nccs1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.3263974253301195),12130,TRUE
Cc1noc(NC(C(/C=C/C=O)(NCC=O)c2ccc3cc[nH]c3c2)C2([C@@H]3C[C@H]4CCCC[C@@H]4[C@@H](C)O3)CC2)c1[N+](=O)[O-],0.24, 0.10972732273401645),12137,TRUE
[H]Oc1cccc(N)c1C[C@H](N)C(=O)C=O,0.24, 0.3547607755540435),12144,TRUE
C[C@H]1O[C@@H](NC(C)(/C=C/C=O)NC2CCCC2Nc2ccc(Cl)c(Oc3nc4ccccc4c4ccccc34)c2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.06235298471427795),12151,TRUE
C[C@H](N)C(=O)C(=O)N(c1ccc(Cl)cc1)S(=O)(=O)C1(C)CC1,0.24, 0.8155807556685298),12165,TRUE
CC(N)(/C=C/C(=O)O[C@H]1CCOC1(CC=O)Oc1ocnc1C=Nc1ccccc1)N[C@H](C(=O)Oc1ccccc1)C(C)(C)C,0.24, 0.07020842012472095),12172,TRUE
CC([C@@H](C=O)NC1CCCCC1c1[nH]cnc1C(C)(/C=C/C=O)NC(=O)c1cc2c(O)cccc2[nH]1)n1ccc2ncnc-2c1,0.24, 0.11002487139122055),12179,TRUE
Nc1cc(N)c(C[C@H](N)C(=O)C=O)c(-c2nc(CC=O)cs2)c1,0.24, 0.3770713765002359),12186,TRUE
CC(N)/C=C/C(=O)N[C@H](C=O)CCCCNc1nc2ccccc2c2c(-c3nc(S)[nH]c(=O)c3C#N)cccc12,0.24, 0.04683340947019291),12193,TRUE
CC(N)(/C=C/C(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)Oc1nc2ccc(Nc3cc(Cl)cc(Cl)c3)cc2c2ccccc12,0.24, 0.11279275023692657),12200,TRUE
CC(N)(/C=C/C=O)Nc1ccc(Cl)c(Oc2nc3ccccc3c3c(-c4c[nH]c5ccccc45)cccc23)c1,0.24, 0.08426984921948324),12207,TRUE
CC(N)(/C=C/C=O)Oc1nc2cc([C@@H]3CNCCN3)ccc2c2ccc(-c3c(C=O)ccc4cc[nH]c34)cc12,0.24, 0.10886447625004779),12214,TRUE
Cc1c(-c2ccc(O)c(Cl)c2Cl)c(Cc2ccc3c(c2)OCO3)cc2c(CC(N)/C=C/C=O)ccnc12,0.24, 0.21730272273984488),12228,TRUE
CC[C@@H](C=O)Nc1cc(C[C@H](N)C(=O)C=O)cc(N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)c1/C=C/C(N)=O,0.24, 0.11435119791287493),12235,TRUE
CC(C)c1ccc(O)c(C23CCCCC2C[C@@H](N[C@@H](C)C(=O)C(=O)O)NC3)c1,0.24, 0.5595203802989299),12242,TRUE
CC[C@@H](C=O)Nc1c(Oc2c(C)cccc2Cc2ccc3c(ccn3C(C)=O)c2)ccc(Cl)c1C(C)(N)/C=C/C=O,0.24, 0.14884219947558514),12249,TRUE
[H]C(=O)/C=C/C(C)(N)NC(C(=O)C(C)=O)[C@H](O)Cc1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.12682821774304484),12256,TRUE
C=C(C(=O)c1c(C[C@H](N)C(=O)C=O)cnc([SH](=O)=O)c1N[C@@H](C)/C=C/C=O)C(C)C1CC2CCCCC2CN1,0.24, 0.09217250597542942),12263,TRUE
C[C@@H](C=O)N[C@@H](C)C(=O)C(=O)Nc1ccc(N)c(N[C@@H](C)[C@@H](C)O)c1-c1ccc(Sc2ncccn2)c(/C=C/C=O)c1,0.24, 0.0611702046575893),12284,TRUE
CCOC(=O)C(=O)[C@H](C)N(C(=O)C(c1cccc2ccccc12)C(C)C)C(=O)[C@H](CC(C)C)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.21780894305273538),12291,TRUE
CCCCc1cc(C#N)cc(CC(N)/C=C/C(=O)N(C(=O)c2cc3ccccc3[nH]2)S(=O)(=O)C2(C)CC2)c1,0.24, 0.37231399141409915),12298,TRUE
CC(C)C[C@H](NC(=O)C(=O)[C@H](C)NC(=O)/C=C/[C@H](C)N)B(O)O,0.24, 0.19831187915779416),12305,TRUE
C=C[C@@H]1C(O)[C@]1(N)N[C@@H](C)C(=O)C(=O)Nc1ccc(N)cc1,0.24, 0.21003946107724492),12312,TRUE
CN(C(=O)/C=C/c1cccc(N/C(C=O)=C\c2ccco2)c1)c1cc(C(C)(/C=C/C=O)NC(=O)[C@@H](N)C(C)(C)C)no1,0.24, 0.21436188326136182),12326,TRUE
CC1CCN(c2cccc3c(OC[C@H](N)C(=O)C=O)nc4ccccc4c23)CC1,0.24, 0.39479404658464523),12333,TRUE
Cc1cnc(C(=O)N(C(=O)[C@@H](N)CC(C)C)C(C)(/C=C/C=O)Oc2nc3ccccc3c3ccccc23)cn1,0.24, 0.14755876055862294),12340,TRUE
Cc1cccc(C)c1Oc1cccc2c1c(OC(/C=C/C=O)(Cc1ccc3cc[nH]c3c1)NCc1cccnc1)nc1ccccc12,0.24, 0.06538202836874632),12347,TRUE
CCc1cccc2c1nc(OC(C)(N)/C=C/C(=O)NC(C(=O)C(C)=O)[C@@H](C)O)c1ccccc12,0.24, 0.19230733444770087),12354,TRUE
N[C@@H](Cc1ccc(O)c(O)c1CCC=O)C(=O)C=O,0.24, 0.3588018675095528),12361,TRUE
C[C@H](N)C(=O)C(=O)Oc1c(Nc2ccccc2)cc(O)c(Nc2ccccc2Cl)c1N[C@@H](C)C(=O)C=O,0.24, 0.08168921582109558),12368,TRUE
CCCNc1c(C2C(=O)OC(c3cc(O)c4cccc(C)c4n3)[C@@H]2C)ccc2c1c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.11532827127130993),12375,TRUE
O=CC(=O)[C@H](Cc1scnc1NC(=O)C(O)Oc1nc2ccccc2c2ccccc12)NCc1ccc(Cl)cc1,0.24, 0.09208490067188954),12382,TRUE
C[C@H](NC(c1csc(N)n1)c1c(-c2c[nH]c(-c3ccc(Cl)cc3)n2)[nH]c2ccccc12)C(=O)C=O,0.24, 0.1780629727612771),12389,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccc(CC(=O)c3ccco3)cc2c2ccc(C(OC(C)(C)C)C(=O)[C@H](C)N)cc12,0.24, 0.1255066634724913),12396,TRUE
CC[C@@H](C=O)Nc1c(O)c(N(C)Cc2ccnc(S)n2)c2oc(C(C)(N)/C=C/C(=O)O[Na])c(O)c(=O)c2c1O,0.24, 0.051262719207812314),12410,TRUE
CNc1ccc2c(c1)[C@H](NC(C)(/C=C/C(=O)Oc1nc3ccccc3c3ccccc13)NCc1oc(=O)oc1Cc1ccccc1N)[C@H](O)C2,0.24, 0.03957370150046157),12417,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3cscn3)cccc2c2cc(N3C[C@H]4[C@@H](C3)C4(C)C)ccc12,0.24, 0.25317537232211806),12424,TRUE
CC1(C)[C@H]2CN(c3cccc4c3nc(OC(=O)C(=O)[C@@H](N)Cc3cccc(=O)o3)c3ccccc34)C[C@H]21,0.24, 0.24458158699296892),12431,TRUE
C=C[C@@H]1C(C[C@H](N)/C=C/C=O)[C@]1(N)C(N)(/C=C/C=O)C[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1cscn1,0.24, 0.22351514159400232),12438,TRUE
CCCC[C@H](N)C(=O)N(C(=O)c1cc2c(O)cccc2[nH]1)C(C)(/C=C/C(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)OCC,0.24, 0.22045992121218017),12452,TRUE
CCCC1=C(O)OC(C(Oc2nc3ccccc3c3ccccc23)C(N)/C=C/C(=O)N(CC=O)c2ccc3c(c2)nc(C)n3C)CC1=O,0.24, 0.1095374637550562),12459,TRUE
CCC(N[C@@H](C)[C@@H](O)C[C@H](C)N)c1oc2cc(OC(C)(/C=C/C=O)NC(C)(C)C)cc(O)c2c(=O)c1O,0.24, 0.13930850049452395),12473,TRUE
Cc1cccc(C)c1OC(=O)Nc1c2c(cn1C[C@H](O)[C@@H](C=O)NC(=O)/C=C/C(C)N)C(=O)C=CC2=O,0.24, 0.2922882398174286),12480,TRUE
CC(C)C[C@@H](N)C(=O)N(C(=O)[C@H](C)CC(=O)[C@@H](N)C(C)C)[C@@H](C)C(=O)C=O,0.24, 0.38962142119228077),12487,TRUE
CC(C)NC(=O)C(OC(C)(N)/C=C/C=O)c1oc2cc(O)c(-c3nc(C=Nc4ccccc4)c(O)o3)c(O)c2c(=O)c1O,0.24, 0.0675097135166123),12494,TRUE
CN(C(=O)/C=C/C(C)(N)Sc1ccccc1CC[C@H](N)C(=O)O)C(=O)c1ccc(Nc2ccc(C(=N)N)cc2)s1,0.24, 0.06092777385439912),12501,TRUE
Cc1cc(O)cc(N[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C=O)c1-c1cc(C(C)(/C=C/C=O)NC(Nc2ccccc2)[C@@H](O)[C@H](C)N)cn1C,0.24, 0.06476556775520094),12508,TRUE
N#Cc1c(Oc2nc3ccccc3c3ccccc23)nc(SC(c2c(F)cc(F)cc2F)C(N)/C=C/C=O)[nH]c1=O,0.24, 0.08207623556521416),12515,TRUE
N[C@@H](Cc1c(CC(=O)c2ccco2)c(O)c(O)c(O)c1-c1ccc(Cl)cc1)C(=O)C=O,0.24, 0.1793917255612683),12522,TRUE
[H]N(c1ccc(C(=N)N)cc1)c1nccc(-c2ccc(O)cc2C)c1C[C@H](N)C(=O)C=O,0.24, 0.1630658057183452),12529,TRUE
CC(=O)n1ccc2cc(CC(C)C(Oc3nc4ccc(-c5ccccc5)cc4c4ccccc34)OC(N)(C=O)N[C@@H](C)C(=O)C=O)ccc21,0.24, 0.06797324959726408),12536,TRUE
CC(/C=C/C=O)NCc1ccc(Oc2cc(-c3ccccc3-c3cccc4[nH]ccc34)cc(Cl)c2Cl)cc1,0.24, 0.14482480658980387),12543,TRUE
Cc1cccc2c(O)cc(N(c3ccc(C(=N)N)cc3)C(C)c3csc(C(=O)[C@H](C)NC(=O)/C=C/C(C)N)n3)nc12,0.24, 0.0802235568540726),12557,TRUE
CC(/C=C/C=O)(N[C@@H]1NC1Cn1cc2c(c1)C(=O)C=CC2=O)c1ccc(C(=O)C(F)(F)Oc2nc3ccccc3c3ccccc23)o1,0.24, 0.06633914795759686),12564,TRUE
[H]N(C(=O)[C@H](C)CC(=O)[C@@H](N)C(C)C)[C@@H](C)C(=O)C=O,0.24, 0.4705308294268766),12571,TRUE
N[C@H](C=O)CCN[C@@H](Cc1cccc2cccc(Oc3nc4ccccc4c4ccccc34)c12)C(=O)C=O,0.24, 0.15423500840204282),12578,TRUE
CC(N)/C=C/C(=O)Nc1cc(C2(Oc3nc4c(NC5CCCCC5)cccc4c4ccccc34)C(=O)OC[C@@H]2C)ccn1,0.24, 0.13500716455637263),12585,TRUE
[H]C(=O)C(=O)[C@@H](N)C[C@@H]1O[C@H](Cc2cccs2)[C@@H](O)[C@H](O)[C@@H]1O,0.24, 0.3739024086933477),12592,TRUE
Cn1ccc2nc(C[C@H](N)C(=O)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3N3CCNCC3)nc-2c1,0.24, 0.250719347134099),12599,TRUE
C[C@H](N)C[C@H](O)[C@H](C)NC1(C)C(=O)OC[C@@H]1Cc1cc(CC(N)/C=C/C=O)cc(C[C@@H](C=O)C[C@@H](C)O)c1[N+](=O)[O-],0.24, 0.05782566702345614),12606,TRUE
[H]NC(c1ccccc1F)[C@H](N)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,0.24, 0.39681744667201435),12613,TRUE
O=CC(=O)[C@H](Cc1ccc2cc[nH]c2c1)N[C@H]1CO1,0.24, 0.45624013910630595),12620,TRUE
[H]NC(N)(C(=O)N(C(=O)[C@@H](N)[C@H](C)O)[C@@H](C)C(=O)C=O)c1ccc(O)c(Cl)c1Cl,0.24, 0.2028666439988334),12627,TRUE
CC(/C=C/C=O)NC(=O)Oc1nc2ccccc2c2cccc([C@@H]3C[C@H]3NC(=O)CC[C@H](N)C(=O)C(F)(F)F)c12,0.24, 0.19586370400556274),12634,TRUE
N[C@H](C(=O)C=O)C(c1ccoc(=O)c1[C@H]1CO1)c1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.23674427883402668),12641,TRUE
Cc1noc(NC(=O)C(=O)[C@@H](N)Cc2c(N)cccc2C[C@H](Nc2cccs2)[C@@H](O)[C@H](O)[C@H](C)N)c1[N+](=O)[O-],0.24, 0.06594724300138045),12648,TRUE
Cc1cc(CCCC(=O)O)cc(C)c1OC(=O)/C=C/C(C)(N[C@H](C=O)CCCCN)c1c(C)cccc1C,0.24, 0.09910466810392221),12662,TRUE
CNc1cc(Nc2ccc(NC(=O)C(=O)[C@@H](N)Cc3ccccc3CC=O)cc2)oc1C(=O)CF,0.24, 0.17594923330530757),12669,TRUE
CC(C(Oc1nc2ccccc2c2ccccc12)c1ccccc1Cl)[C@@H](C=O)NC(C)(N)/C=C/C=O,0.24, 0.13095118309675297),12676,TRUE
C[C@H](NC1COCC(N2C(=O)NCCC2[C@@H]2C[C@H]2N)N1C(N)(/C=C/C=O)Cc1ccccc1O)C(=O)C(F)(F)F,0.24, 0.20059716643864123),12683,TRUE
CC(C)CC(=O)N(C(=O)[C@H](C)NC(=O)/C=C/C(C)(N)On1nnc2ccccc21)N(C=O)CC(N[C@@H](C)C=O)C(N)=O,0.24, 0.07569606894178167),12690,TRUE
COC(C(=O)NC(/C=C/C=O)C(c1ccc2[nH]cnc2c1)C1CCC1)C(C)(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.1092267309512486),12697,TRUE
O=CC(=O)[C@H](Cc1c(F)cc(F)c(F)c1-c1oc2cccc(O)c2c(=O)c1O)NC1CC2CCCCC2CN1,0.24, 0.20151995196807507),12704,TRUE
[H]N([H])[C@@H](Cc1ccccc1[H])C(=O)C=O,0.24, 0.5320470866249443),12718,TRUE
CCc1c(Nc2ccccc2C(C)(N)/C=C/C=O)cnc(-c2ccc3[nH]c(C=O)cc3c2)c1Br,0.24, 0.19549482355550135),12732,TRUE
C[C@H]1O[C@@H](c2ccc3nc(C(=O)N(C(N)=O)C(C)(/C=C/C=O)Oc4nc5ccccc5c5ccccc45)[nH]c3c2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.07748636989258244),12739,TRUE
Cc1cccc(C)c1C1OCC[C@@H]1OC1CCC[C@@H]2C(C[C@H]3COC(=O)C3C)[C@@H](C)O[C@H](CN[C@@H](C)C(=O)C=O)[C@@H]12,0.24, 0.25324036522209264),12746,TRUE
Cc1cc(C(C)(C)C)c(Oc2nc3ccc(-c4ccc5[nH]c(C=O)cc5c4)cc3c3ccccc23)cc1C(C)(N)/C=C/C=O,0.24, 0.11165124248728903),12753,TRUE
C[C@H](N)C(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.7540900621199903),12760,TRUE
CCCc1cccc2c1nc(OC(N)(/C=C/C=O)C(c1cc(-c3ccccc3)on1)C1CCCC1)c1ccccc12,0.24, 0.08345592355771166),12767,TRUE
COc1ccc2nc(OC(N)(/C=C/C=O)Cc3ccc(O)c(O)c3)c3c(Oc4ccccc4)cc(-c4cccnn4)cc3c2c1,0.24, 0.055420676520781795),12774,TRUE
Cc1noc(NC(=O)[C@H](CO)NC2CCNC(=O)N2C(C)(N)/C=C/C(=O)NC2CCCCC2)c1[N+](=O)[O-],0.24, 0.1392195911528469),12781,TRUE
CC(=O)c1cc(CN2C(=O)C(=O)c3cc(F)cc(Cn4ccc5ncnc-5c4)c32)c(C(C)(N)/C=C/C=O)o1,0.24, 0.163373350431713),12795,TRUE
C[C@H](NCc1cccc(C#N)c1CC(=O)[C@H](C)NC(=O)[C@@H](N)[C@H](O)Cc1ccc(Br)cc1)C(=O)C=O,0.24, 0.21039667514869723),12802,TRUE
CC(/C=C/C(=O)N[C@@H](C)C(C)NC1(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCC1)NCCC(=O)O,0.24, 0.1495422553919301),12809,TRUE
CC(N)/C=C/C(=O)N[C@H]1c2cc(CC(CC(=O)O)Oc3nc4ccccc4c4ccccc34)ccc2C[C@H]1O,0.24, 0.19268088323551422),12816,TRUE
Cn1ccc(CNC(C)(/C=C/C=O)c2ccc(-c3nc(-c4cccc5cc[nH]c45)[nH]c3Nc3ccccc3)c3ccccc23)c1,0.24, 0.09543704218425396),12823,TRUE
CC1(Oc2nc3ccccc3c3ccccc23)C(=O)OC[C@@H]1C[C@H](N)C(=O)C=O,0.24, 0.29635597525525936),12830,TRUE
CC(N)(/C=C/C=O)c1cc2cc(C=O)[nH]c2c(-c2scnc2Oc2nc3ccccc3c3ccccc23)c1OCC=O,0.24, 0.11330225061529313),12837,TRUE
Nc1ccccc1C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cccc(Nc3ccc(CC=O)cc3)c12,0.24, 0.08527248936844274),12851,TRUE
CC(/C=C/C=O)NCc1cncc(C(C=O)(Oc2nc3ccccc3c3ccccc23)[C@@H]2C[C@H]3CCCC[C@@H]3[C@@H](C)O2)c1CCCC(=O)O,0.24, 0.08430792974939767),12858,TRUE
CC(C)[C@H](N)C(=O)C[C@H](C=O)C(NC(C)(C)C)c1ccccc1N[C@@H](Cc1ccccc1/C=C/C=O)C(=O)C=O,0.24, 0.16371379780303771),12865,TRUE
CC(C)C(N[C@@H](CCC=O)C(=O)CF)OC1CC[C@@H]2C[C@@H](C)N(C(=O)C(=O)[C@H](C)N)C[C@H]2C1CS(=O)C1=[SH]c2ncccc2N1,0.24, 0.07615337785255284),12872,TRUE
C[C@H](N)C[C@H](O)[C@H](C)NC(=O)CC[C@H](NC(C)(N)/C=C/C(=O)OP(=O)(O)O)C(=O)Cc1c(O)c(Cl)cc(Cl)c1Cl,0.24, 0.05875866006765862),12886,TRUE
[H]OC(=O)C(=O)[C@@H](N)Cc1ccccc1[H],0.24, 0.6696680790842583),12893,TRUE
NC(/C=C/C=O)(C[C@H]1CO1)N1C(=O)NCCC1N(CC=O)C(Oc1nc2ccccc2c2ccccc12)c1ccc(Cl)cc1,0.24, 0.07818535611862766),12900,TRUE
CC1(C)[C@H]2CN(c3cc(O)c(Nc4ccccc4)cc3OC(=O)C(=O)[C@@H](N)C[C@@H]3C[C@H]4CCCC[C@@H]4CN3)C[C@H]21,0.24, 0.16446610572425913),12907,TRUE
CC(/C=C/C=O)(Oc1nc2ccccc2c2ccccc12)N(C(=O)[C@@H](O)CC=O)C(C=O)c1ccc2[nH]cnc2c1,0.24, 0.10934977269004151),12914,TRUE
CC(Cc1cc(=O)c2c(O)cc(O)cc2o1)[C@@H](C=O)c1cccnc1C([C@@H]1C[C@H]2CCCC[C@@H]2CN1)[C@H](N)C(=O)C=O,0.24, 0.20778685660139853),12921,TRUE
NC(/C=C/C=O)(Cc1cc(O)c2c(=O)ccoc2c1)Oc1nc2c(OCCC3CCCC3)cccc2c2ccccc12,0.24, 0.08903020667892746),12928,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1nc2c(N3C[C@H]4CCC[C@H]4C3)cccc2c2ccccc12,0.24, 0.4079969007509633),12935,TRUE
CC(N)(/C=C/C=O)OC([C@@H](N)C(=O)N1C[C@H]2CCC[C@H]2C1)n1nnc2cc(Oc3ccccc3)ccc21,0.24, 0.25766857730560205),12942,TRUE
C[C@H](NC(=O)/C=C/C(C)(N)N[C@@H](CC(C)(C)Oc1nc2ccccc2c2ccccc12)B(O)O)C(=O)C(F)(F)F,0.24, 0.10419685001858942),12949,TRUE
NC(/C=C/C=O)(Oc1ccc(O)cc1)C(c1ccc2c(ccn2C(=O)Cc2ccccc2/C=C/C=O)c1)n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.10417328371128995),12956,TRUE
CC(C)C[C@H](C(=O)NS(=O)(=O)c1ccc(N)cc1)N(C(=O)C(=O)[C@H](C)N)c1ccccc1[N+](=O)[O-],0.24, 0.18461874626886995),12963,TRUE
O=CC(=O)[C@H](Cc1ccc(Oc2coc3cc(O)cc(O)c3c2=O)cc1N=Cc1ncoc1O)N(Cc1cccnc1)Cc1cscn1,0.24, 0.08717439322561307),12970,TRUE
CC(/C=C/C=O)(NCc1ccc(Oc2nc3ccccc3c3cc(CC(=O)c4ccco4)ccc23)c(Cl)c1)c1cscn1,0.24, 0.0688465628046559),12977,TRUE
C=C[C@@H]1C[C@H]1NC(C=O)c1c(Cl)cccc1CN[C@@H](C)C(=O)C(=O)OC(C)(C)C,0.24, 0.261645928393735),12984,TRUE
CC(C)C[C@@H](C=O)C(=O)[C@@H](NC(C[C@H](N)C(=O)CF)(Oc1nc2ccccc2c2ccccc12)C(=O)NC(C)/C=C/C=O)[C@@H](C)O,0.24, 0.05336690902526611),12991,TRUE
CC(=O)Nc1ccc(NC(=O)C(=O)[C@H](C)N)c(-c2cnc(S(N)(=O)=O)c([C@H](C=O)C(C)C)c2)c1Oc1nc2ccccc2c2ccccc12,0.24, 0.08601489554254396),13005,TRUE
N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)C(=O)Oc1cc(Cl)cnc1O,0.24, 0.47312399621614387),13012,TRUE
CC(C)OC1(C(C)(/C=C/C=O)N(C=O)[C@@H]2C[C@@H]3CCCC[C@@H]3C(NC(C)C(C)O)N2C(C)(C)C)CCCC1,0.24, 0.2867649663454291),13019,TRUE
CC(N)/C=C/C(=O)N[C@@H](C)C(=O)CC1CCCCC1c1ccc(Oc2nc3ccccc3c3ccccc23)c(=O)o1,0.24, 0.198979339091822),13026,TRUE
CC(/C=C/C=O)NC(=O)c1cc(Oc2nc3c(CC(N)C(=O)C(F)(F)F)cccc3c3ccccc23)co1,0.24, 0.18520357770403392),13033,TRUE
C[C@@H](N)C(C(=O)NC(C)(/C=C/C=O)Oc1ccc(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1ccccc1F,0.24, 0.1716379766307527),13040,TRUE
N[C@@H](Cc1ccc(Br)cc1N[C@@H](CCC=O)C(=O)C(F)(F)F)C(=O)C=O,0.24, 0.4285336391783982),13047,TRUE
C[C@H]1COC(=O)C1c1ccc(OC(N)(/C=C/C=O)Cc2ccc(N)cc2)c(C[C@@H](N)C(C=O)C2CCOC2=O)c1,0.24, 0.1164496454980641),13054,TRUE
CC1C(=O)OC[C@@H]1Cc1cccc2c1c(OC(=O)C(=O)[C@@H](N)C[C@H]1CN1)nc1cc(OC(C)(C)C)ccc12,0.24, 0.19880573838247032),13068,TRUE
CC(NC1CC1NC1(NC(C)(N)/C=C/C=O)CCCC1)C(C)(O)c1nc2ccccc2c2ccccc12,0.24, 0.12489552448227698),13075,TRUE
C#CC[C@@H](C=O)NC(c1cccc([N+](=O)[O-])c1)C(N)(/C=C/C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.05896927392691671),13082,TRUE
C[C@H](NC(=O)/C=C/C(N)Cc1cc(O)c(O)c(O)c1)C(=O)N(C(=O)Oc1nc2ccccc2c2ccccc12)N(C=O)CCC(N)=O,0.24, 0.042650120171234325),13089,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(C)(C)C[C@H](NC(=O)/C=C/C(N)Cc1ccc(/C=C/C=O)cc1)B(O)O,0.24, 0.20721275429617086),13096,TRUE
Cc1c(-c2cc(Cc3ccccc3C(C)(N)/C=C/C=O)oc2C(=O)CF)ccc(O)c1OC(C=O)Oc1ccccc1,0.24, 0.09164083845414395),13103,TRUE
Cc1ccc(C2(C)C(=O)OC[C@@H]2C[C@H](N)C(=O)C=O)cc1,0.24, 0.4944559208466632),13110,TRUE
CC(N)(/C=C/C=O)Oc1nc2cccc(N3CCC4CCCCC4C3)c2c2cccc(Nc3nc4ccccc4[nH]3)c12,0.24, 0.08658909370803856),13117,TRUE
N[C@H](C(=O)C(=O)Oc1cccnc1)C(O[C@H]1CO[C@H]2OCC[C@@H]12)c1ccc(Br)c(N2CCNCC2)c1,0.24, 0.36264282580808194),13124,TRUE
CC(C)C[C@H](Nc1cc(N[C@@H](C)C=O)cc2c1c(OC(=O)C(=O)[C@H](C)N)nc1c(C=O)cccc12)B(O)O,0.24, 0.07700112672796343),13131,TRUE
CC(C)C[C@H](C=O)NC(C)(N)/C=C/C(=O)N[C@H](C(=O)Oc1nc2ccccc2c2ccccc12)[C@@H](C)O,0.24, 0.10214990350051982),13138,TRUE
C[C@@H](O)[C@@H](N)Cc1c(F)cc(F)c(CC(N)(/C=C/C=O)c2ccc(Cl)c(-c3cccnn3)c2Cl)c1F,0.24, 0.27653885572062287),13145,TRUE
CC[C@@H](N)Cc1cc(NC(=O)C(=O)[C@@H](N)Cc2oc3cc(O)cc(O)c3c(=O)c2O)no1,0.24, 0.2578076522293331),13152,TRUE
C[C@@H](OC(N)(/C=C/C=O)C(c1ccc(/C=C/C=O)c(Oc2nc3ccccc3c3ccccc23)c1)C1CC1)[C@H](N)C=O,0.24, 0.09776521936950915),13159,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(N(C)c3cc(F)c(F)cc3F)cccc2c2ccccc12,0.24, 0.2087736759248355),13166,TRUE
CC(=O)NC(=O)C(=O)[C@@H](N)C(OC(C)C)c1c(Cc2c(C)cccc2C)cc(O)cc1C(C)C,0.24, 0.48246725894212394),13173,TRUE
C=C[C@@H]1C[C@]1(N)c1cccc(NC(=O)/C=C/C(N)(Cc2cccc(C#N)c2)c2ccc(CC(=O)c3ccco3)cc2)c1,0.24, 0.12632345641183998),13180,TRUE
CC(C)C(OC1(NC(=O)C(=O)[C@H](C)N)CC1N[C@H](C(=O)C[C@@H](C)C=O)C(C)(C)NC(C)(C)C)OP(=O)(O)O,0.24, 0.06563548021954849),13187,TRUE
CC1C(=O)OC[C@@H]1C[C@@H](C=O)NC(C)(N)/C=C/C(=O)N(Cc1ccc(/C=C(\N)C=O)o1)c1nnc(S)n1-c1ccccc1,0.24, 0.07285900711105016),13194,TRUE
CC1(S(=O)(=O)NC(c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)CC1,0.24, 0.09613512925645663),13208,TRUE
CC(C)C[C@H](C=O)Nc1cc2nc(N(CC=O)C(C)(/C=C/C=O)Oc3nc4ccccc4c4ccccc34)nc-2cn1C,0.24, 0.08697481703611173),13215,TRUE
CC[C@@H](C=O)NC1CC1(C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)NC(=O)c1cc(C)on1,0.24, 0.11058965641883282),13222,TRUE
N[C@@H](CC1CCCC1)C(=O)C(=O)Oc1nc2ccccc2c2ccc(C3CCC3)cc12,0.24, 0.345860700474044),13229,TRUE
Cc1c(O)cccc1-c1cc(N)ccc1S(=O)(=O)NC(C[C@H](N)C(=O)C(F)(F)F)C(=O)NC(C)/C=C/C=O,0.24, 0.1574547577522772),13236,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(-c3cccc(-c4ccc5[nH]c(C=O)cc5c4)c3[N+](=O)[O-])ccc12,0.24, 0.05283802880088824),13243,TRUE
Cc1cc(C(F)(F)F)c(C[C@H](N)C(=O)C=O)c(C[C@H]2COC(=O)C2C)c1N1C[C@H]2CCC[C@H]2C1,0.24, 0.3662198759432838),13250,TRUE
C#CC[C@@H](C=O)NC(C)(/C=C/C=O)N(C(=O)c1[nH]c2ccc(Cl)cc2c1C[C@@H](C=O)C[C@@H](C)O)C(C)(C)C,0.24, 0.15332431013625697),13257,TRUE
CC(C)c1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccc(-c3cccc4ccccc34)cc12,0.24, 0.19232065869653328),13264,TRUE
CCCCc1c(Cl)c(O)c(CC(N)/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)c(Cl)c1Cl,0.24, 0.22350480977702109),13271,TRUE
CC(C)(C)NC(/C=C/C(=O)NC(C=O)C(CC(=O)O)Oc1nc2ccccc2c2ccccc12)(C[C@H]1CN1)NC(=O)C(Cl)=C(Cl)Cl,0.24, 0.054467902259228165),13285,TRUE
CC(N)(/C=C/C(=O)Nc1ccc(-c2ccccc2)cc1)Oc1nc2ccccc2c2cc(Oc3ccc(O)cc3)ccc12,0.24, 0.09841885820246724),13299,TRUE
C[C@@H](O)C[C@H](C=O)C(OCC=O)c1cc2cc(N(C(C=O)CCC(=O)O)C(C)(N)/C=C/C=O)ccc2[nH]1,0.24, 0.13745466267461248),13306,TRUE
C#CC[C@H](NC(=O)[C@@H](N)C(C)(Oc1nc2ccccc2c2ccccc12)c1cccc(/C=C/C=O)c1)C(=O)NC(C)/C=C/C=O,0.24, 0.09098836823709155),13313,TRUE
CC1(C)[C@H]2CN(c3c(F)cc(F)c(-c4ccoc4C[C@H](NCC(=O)Oc4nc5ccccc5c5ccccc45)C(=O)C=O)c3F)C[C@H]21,0.24, 0.08541342229704155),13327,TRUE
C[C@H](NC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2cc(Cc3ccccc3)cc(NC3CC3)c12)[C@@H](C)O,0.24, 0.099486060278653),13334,TRUE
Cc1ccc(-c2ccc(C=O)s2)c2c(N(C(=O)[C@H](CC(C)C)C(=O)[C@@H](N)[C@@H](C)O)C(C)/C=C/C=O)ccnc12,0.24, 0.19319139065473928),13341,TRUE
C[C@H](N)C[C@H](O)[C@H](C)N(C(=O)C(=O)[C@@H](N)Cc1oc(C=O)cc1-c1ccc(Cl)cc1)c1c[nH]nn1,0.24, 0.22272629702918745),13355,TRUE
CC(N)(/C=C/C(=O)N(C(=O)/C=C/c1ccc2c(c1)OCO2)S(=O)(=O)C1CC1)N[C@H](C=O)CCCCN,0.24, 0.14613736155386156),13362,TRUE
N[C@@H](Cc1cccs1)C(=O)C(=O)Oc1nc2cc(-c3cc(B(O)O)cc([N+](=O)[O-])c3)ccc2c2ccccc12,0.24, 0.0668679695528318),13369,TRUE
C[C@@H](/C=C/C=O)Nc1ccc(CC(N)(/C=C/C(=O)OC[C@@H](N)C=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1/C=C/C=O,0.24, 0.04757431103880332),13376,TRUE
Cc1noc(NC(=O)/C=C/C(N)Cc2cc(OC(C)(C)c3ccc(-c4cc(O)c5cccc(C)c5n4)nn3)nn2C)c1[N+](=O)[O-],0.24, 0.11579206944585702),13383,TRUE
Cc1cccc(Cc2cc(O)c3cccc(C)c3n2)c1OC(=O)/C=C/C(C)(N)c1nnc(S)n1-c1ccccc1,0.24, 0.10802002451110462),13397,TRUE
CC(N)/C=C/C(=O)N(C(=O)c1ccc2cccc(-c3cc(O)c(O)c(O)c3-c3nc(S)[nH]c(=O)c3C#N)c2n1)[C@H](C=O)[C@H](C)O,0.24, 0.048397505586584705),13411,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3ccc4[nH]cnc4c3C(F)(F)F)cccc12,0.24, 0.21869667871177076),13418,TRUE
C=C[C@@H]1C[C@]1(N)c1cc2[nH]c(C(=O)NC(/C=C/C=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2cc1F,0.24, 0.16635786171648512),13425,TRUE
CC(N)(/C=C/C=O)Oc1nc2cc(OP(=O)(O)O)ccc2c2ccc(-c3cccc(N)c3)c(OC(C)(C)C(N)=O)c12,0.24, 0.04569264949655983),13432,TRUE
NC(=O)C(C[C@H](NC(=O)C(=O)[C@@H](N)CC1CCOC1=O)C(=O)C(F)(F)F)C1CCCCC1,0.24, 0.3146507200434499),13439,TRUE
CC(N)(/C=C/C(=O)N(C(=O)[C@H](N)C(O)C1CCC1)c1ccc(N)cc1)Oc1nc2ccccc2c2ccccc12,0.24, 0.11437776303163104),13446,TRUE
C[C@H](NCc1ccc([N+](=O)[O-])c(NC(C)(C)C)c1)C(=O)C(N)=O,0.24, 0.39469258308793875),13453,TRUE
CCCNC([C@H]1COC(=O)C1(C)N1CCC2CCCCC2C1)C(N)(/C=C/C=O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0.24, 0.10748440688486748),13460,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)C(=O)O,0.24, 0.4461073178394835),13467,TRUE
C[C@H](N)C(=O)NN(CCC(N)=O)C(=O)c1ccccc1Sc1cc(CC(N)/C=C/C(=O)O[Na])cc(OC(C)(C)C(N)=O)c1N,0.24, 0.06853498169691485),13474,TRUE
CC(=O)C(=O)C([C@@H](C)O)N(C(=O)/C=C/C(C)(N)C1CCCC(Oc2nc3ccccc3c3ccccc23)C1)c1cc2ccccc2s1,0.24, 0.09744199427092741),13481,TRUE
Cc1c(C(C)(N)/C=C/C=O)ccc(O)c1C1CC1(Oc1nc2ccccc2c2ccccc12)[C@H](C=O)C(C)C,0.24, 0.15626222639278464),13488,TRUE
CCC1C2CCCCC2CN[C@@H]1N(CCC(=O)O)C(C)/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,0.24, 0.23900998046026506),13495,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cccc(N(c3ccc(Cl)cc3)C3CCC(c4cncc(Br)c4)C3)c12,0.24, 0.11144104907386979),13502,TRUE
N[C@H](C(=O)C=O)C(Oc1nc2c(CCCC(=O)O)cccc2c2cc(-c3ccccc3)ccc12)C1CCC1,0.24, 0.16352223660021276),13509,TRUE
C[C@@H](O)[C@@H](C=O)N(C(=O)/C=C/C(C)(N)Sc1nc(-n2[nH]c(=O)c3ccccc3c2=O)c(C#N)c(=O)[nH]1)c1ccccn1,0.24, 0.06857567699274816),13516,TRUE
CC[C@@H](C)[C@H](NC(=O)C(=O)[C@H](C)N[C@H]1COC(=O)C1C)C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,0.24, 0.33035080494366276),13523,TRUE
NC(=O)C(=O)[C@@H](N)C[C@@H]1CNCCN1,0.24, 0.36959747346312694),13530,TRUE
COC(=O)/C=C/C(C)(NC1C(=O)OC[C@@H]1C)c1oc2cc(O)c(Nc3ccc([N+](=O)[O-])cc3Cl)c(O)c2c(=O)c1O,0.24, 0.08395731517819999),13551,TRUE
C[C@@H](C=O)Nc1c(O)cc2oc(C(C)(N)/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)cc(=O)c2c1O,0.24, 0.07725683941744567),13565,TRUE
CC[C@@H](C=O)Nc1ccc(Cl)c(Cl)c1C[C@H](N)C(=O)C=O,0.24, 0.5618683135073202),13572,TRUE
C[C@H](N[C@@H]1C[C@H]2CCCC[C@@H]2CN1)C(=O)C=O,0.24, 0.5631595038153204),13579,TRUE
CC[C@@H](C)[C@@H](C=O)Nc1ccc(C(C)(N)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)c(C)c1O,0.24, 0.08598970645125578),13586,TRUE
CC(/C=C/C=O)NCC[C@@H](C(=O)Oc1nc2ccccc2c2ccccc12)N(Cc1cccc(Cl)c1)C(C)(C)C,0.24, 0.09525975251380218),13593,TRUE
Cc1cc(C(=O)N(C2CCC[C@@H]3[C@@H](CNC(C)/C=C/C=O)O[C@H](C)C(Oc4nc5ccccc5c5ccccc45)[C@@H]23)[C@H](C=O)C(C)(C)C)no1,0.24, 0.10752820102000787),13600,TRUE
C[C@H](Nc1ccc2nc(C(=O)NC(C)(/C=C/C=O)c3c[nH]c4c(NS(=O)(=O)c5ccc(N)cc5)cccc34)[nH]c2c1)[C@@H](C)O,0.24, 0.06573895641265323),13607,TRUE
[H]NC(=O)C(=O)[C@@H](N)C[C@@H]1CNCCN1,0.24, 0.36959747346312694),13614,TRUE
C[C@H](N)C(=O)C(=O)N(C)Cc1c(N2C[C@H]3[C@@H](C2)C3(C)C)ccc(Cl)c1Cl,0.24, 0.7749488404810727),13621,TRUE
CCN(C(C)/C=C/C=O)C(C)N([C@H](C=O)CCCC(N)Oc1nc2ccccc2c2ccccc12)[C@H](C=O)C(C)(C)C,0.24, 0.1032446905700428),13628,TRUE
CC(/C=C/C=O)(N[C@H](C=O)CCCCN)Oc1nc2ccccc2c2cc(-c3ccccc3)c(-c3cccnn3)cc12,0.24, 0.062452165847959346),13635,TRUE
[H]CN[C@@H](C)C(=O)C(=O)N[C@@H](C)[C@@H](O)C(Oc1nc2ccccc2c2ccc(C)cc12)[C@H](C)N,0.24, 0.2881643593485256),13642,TRUE
CC(NC(=O)/C=C/C(C)(N)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)NC1CCCCC1OC(C)(C)C,0.24, 0.19461657470286084),13649,TRUE
[H]Oc1[nH]c2ccccc2c1NC(=O)C(=O)[C@H](C)NC[H],0.24, 0.6172515265053187),13663,TRUE
Cc1csc(CC(N)(/C=C/C(=O)N[C@H](C=O)[C@@H](C)O)Oc2ccc(O)c(Oc3nc4ccccc4c4ccccc34)c2)n1,0.24, 0.0741182894283415),13670,TRUE
CC(C=O)N(c1cccc(Cl)c1)C(C=O)OC(=O)C(=O)[C@H](C)NC(N)C=O,0.24, 0.22553880553109068),13677,TRUE
CC(N)(/C=C/C(=O)N[C@H](C=O)[C@H](O)Cc1nnc(S)n1-c1ccccc1)OC(c1ccc(Cl)cc1)[C@@H](N)C=O,0.24, 0.08744116099633105),13684,TRUE
C[C@@H](C=O)Nc1cc(C(C)(N)/C=C/C(=O)Oc2cc(N[C@@H](C)[C@@H](C)O)c(O)cc2-n2ccnn2)c(Cl)cc1Cl,0.24, 0.0744477621008469),13691,TRUE
CC(/C=C/C=O)(NC(=O)c1ccco1)c1cnc([C@H]2NC(c3cccc([N+](=O)[O-])c3)[C@@H]3CCC[C@H]23)c(Br)c1,0.24, 0.15513005195145135),13698,TRUE
C[C@H](OC(C)(N)/C=C/C=O)[C@@H](C=O)Nc1cc(B(O)O)cc([N+](=O)[O-])c1N1C[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.08445620445395495),13705,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)ccc2c2ccccc12,0.24, 0.2404107053112707),13712,TRUE
CCCCNC(/C=C/C=O)Cc1cc2c(-c3nc4cc(C(F)(F)C(=O)c5ccco5)ccc4c4ccccc34)cccc2s1,0.24, 0.0493948591472663),13719,TRUE
NC(/C=C/C=O)(Cc1ccc2[nH]cnc2c1)Oc1cccc2[nH]c(C(=O)Oc3nc4ccccc4c4ccccc34)cc12,0.24, 0.06739635511289783),13726,TRUE
CC(=O)[C@H](CCC=O)Nc1c([N+](=O)[O-])ccc(NC2CNCCN2C(=O)C(=O)[C@H](C)N)c1Cl,0.24, 0.15162370599882768),13733,TRUE
[H]OC1CCC(C[C@H](N[H])C(=O)C=O)C1[H],0.24, 0.46242232235824615),13740,TRUE
CC(C)(C)Nc1cc(S(N)(=O)=O)ncc1C(O)[C@@H](C=O)NC(=O)/C=C/C(N)Cc1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.11183136953478776),13747,TRUE
N[C@@H](Cc1scnc1N(c1ccc(Br)cc1)[C@@H](CCC(=O)O)C(=O)C(F)(F)F)C(=O)C=O,0.24, 0.33125200681131955),13754,TRUE
C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)NS(=O)(=O)c1ccc(N)cc1,0.24, 0.25004230742598926),13761,TRUE
CC(C)C[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@@H](N)C(C)C)C(=O)NC(/C=C/C=O)CC1C(=O)OCC1c1cccs1,0.24, 0.14926771306843054),13768,TRUE
[H]N[C@@H](C[C@@H]1CNCCN1)C(=O)C=O,0.24, 0.349456710989069),13775,TRUE
CC(C)C(C(=O)NC(/C=C/C=O)(C[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](C)O1)[C@@H]1CCCN1)c1cc(=O)c2c(O)cccc2o1,0.24, 0.2906175131031739),13782,TRUE
[H]C(=O)C(=O)[C@@H](N)C[C@H]1COC(=O)C1(C)OCC(C)C,0.24, 0.39992210858319055),13789,TRUE
NC(/C=C/C=O)(C(c1ccc2cc[nH]c2c1)c1oc2cc(O)c(-c3ccc4[nH]cnc4c3)c(O)c2c(=O)c1O)N1CCOCC1,0.24, 0.11490546328550505),13803,TRUE
Cc1cc(C2C(=O)OC[C@@H]2C)cc2ccc(C(C)(C)OC(C)(N)/C=C/C(=O)Oc3ccc(N[C@H](C=O)CC(C)C)cc3)nc12,0.24, 0.08523416900271538),13810,TRUE
N=C(N)c1ccc(Nc2ccc3c(c2)c(OC(=O)C(=O)[C@@H](N)Cc2c(F)cc(F)cc2F)nc2ccccc23)cc1,0.24, 0.06999896066239375),13817,TRUE
CC(/C=C/C=O)N[C@@H]1CC2(Oc3nc4ccccc4c4ccccc34)C(CCC(C(F)F)C2C[C@@H](N)CC=O)CN1,0.24, 0.17499927854148187),13838,TRUE
CC(N[C@@H](C)C[C@H](O)[C@H](C)N)C(=O)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1ccc(C(=O)CF)o1,0.24, 0.07637666287678917),13845,TRUE
[H]N(C(=O)C(=O)[C@H](C)N)C1(Oc2nc3ccccc3c3ccc([H])cc23)CC1,0.24, 0.4186317504551481),13859,TRUE
CC(N)(/C=C/C=O)Nc1cc(Oc2nc3c(NC(=O)CO)ccc(-c4ccno4)c3c3ccccc23)ccc1Cl,0.24, 0.08218303607971018),13866,TRUE
CC(N)/C=C/C(=O)N[C@@H](C)C(=O)C(=O)Nc1ccccc1,0.24, 0.5270485136246356),13873,TRUE
CC[C@H](C)c1ccc2c(OC(N)(/C=C/C=O)Cn3[nH]c(=O)c4ccccc4c3=O)nc3ccccc3c2c1,0.24, 0.13880031440797638),13880,TRUE
NC(/C=C/C=O)Cc1ccc(NC(=O)C(N)C(CC(=O)O)Oc2nc3ccccc3c3ccccc23)c(NC2CCCC2)c1,0.24, 0.08448812676460458),13894,TRUE
Cc1c(O)cccc1-c1cc(F)cc2cc(C(=O)N(C(=O)/C=C/C(N)Cc3ccccc3)[C@H](C=O)[C@H](C)O)[nH]c12,0.24, 0.18588142435398608),13901,TRUE
[H]C(=O)C(=O)[C@@H](N)C(c1cccs1)[C@@H]1CC2CCCCC2CN1,0.24, 0.6435741348875136),13908,TRUE
C[C@@H](C=O)Nc1ccc2c(OC(C)(N)/C=C/C=O)nc3ccccc3c2c1-c1cc(/C=C/C=O)cc(CCCC(=O)O)c1,0.24, 0.07636516665118546),13915,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C(=O)NC1CCCCC1Nc1ccc(-c2ccccc2)cc1)[C@@H](C)O,0.24, 0.3589542998835177),13922,TRUE
Cc1cccc(C)c1-c1ccc(Cl)c(Cl)c1C(Nc1ccccc1)[C@H](N)C(=O)C=O,0.24, 0.3738859061895466),13929,TRUE
Cc1csc(-c2ccc3c(OC(c4cc(C#N)cc(C(=O)O)c4)[C@H](N)C(=O)C(=O)O[Na])nc4ccccc4c3c2)n1,0.24, 0.15693305857117962),13936,TRUE
CC1(S(=O)(=O)NC([C@@H]2C[C@@H]3CCCC[C@@H]3CN2)C(N)(/C=C/C=O)c2cc(Cl)ccc2NS(=O)(=O)C2CC2)CC1,0.24, 0.22584161750531107),13943,TRUE
C=C[C@@H]1C[C@H]1Nc1cc(CN[C@@H](Cc2ccc(O)cc2Cc2cccc3[nH]c(C=O)cc23)C(=O)C=O)ccc1Cl,0.24, 0.10002041397827739),13950,TRUE
CCCNC(c1ccc2c(O)nc3ccc(-c4ccc(C=O)o4)cc3c2c1)[C@H](N)C(=O)C=O,0.24, 0.20283310067948854),13964,TRUE
N[C@@H](C[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)/C=C/c1ccc(CS(=O)C2=[SH]c3ncccc3N2)cc1)C(=O)C=O,0.24, 0.1473853204972175),13971,TRUE
NC(=O)CCN(NC(=O)[C@@H](N)Cc1[nH]c2ccccc2c1C[C@H](N)C(=O)C=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.0637135244117292),13978,TRUE
CC(C)NC(/C=C/C=O)(Cn1[nH]c(=O)c2cccc(Cc3ccc4c(c3)OCO4)c2c1=O)Nc1ccc(C(=N)N)cc1,0.24, 0.06060304444085834),13985,TRUE
CSc1cc(C)c(C2COC(=O)C2N[C@@H](Cc2c[nH]nn2)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)s1,0.24, 0.11277890173584222),13992,TRUE
C[C@H](NC(=O)/C=C/C(N)CC1(N2CCOCC2)CCOC1=O)C(=O)c1nc(-c2cc(=O)c3c(O)cccc3o2)cs1,0.24, 0.18988415135627063),13999,TRUE
N[C@H](C(=O)C=O)C(Sc1nncn1-c1ccccc1)c1cc(O)c(O)c(O)c1Oc1nc2ccccc2c2ccccc12,0.24, 0.05955774327603616),14006,TRUE
CCCC[C@@H](C=O)Nc1cc(C([C@H]2CN2)[C@H](N)C(=O)C(=O)N2CCNCC2)ccc1Cl,0.24, 0.22432885503920277),14013,TRUE
Cc1nc2cc(-c3cc(/C=C/C=O)cc(-c4ccoc4C[C@H](N)C(=O)C=O)c3)c(-c3ccccc3/C=C/C=O)cc2n1C,0.24, 0.12538603545655025),14020,TRUE
[H]C([C@H](N)C(=O)C(=O)NC1CCCCC1)[C@@H]1CNCCN1,0.24, 0.49930472608947574),14027,TRUE
N[C@H](C(=O)C=O)C(c1ccc(/C=C/C=O)cc1)c1cc(F)c(F)cc1F,0.24, 0.3558486911613479),14034,TRUE
CC/C=C/C(=O)N1Cc2nncn2CC1NC(C(=O)C(C)=O)(c1ccc2[nH]ccc2c1)[C@@H](C)O,0.24, 0.3390981419652502),14041,TRUE
N[C@@H](Cc1c(F)ccc(Oc2ccc(-c3cccc4[nH]c(C=O)cc34)cc2)c1C[C@H](N)C(=O)c1nccs1)C(=O)C=O,0.24, 0.11040883131496991),14048,TRUE
CC(C)C([C@H]1NC[C@@H]2CCC[C@H]12)[C@H](NC(=O)C(=O)[C@@H](N)Cc1coc2cc(O)cc(O)c2c1=O)B(O)O,0.24, 0.17358520148071793),14055,TRUE
COC1C(Nc2ccc(N)cc2)CCCC1(NC(=O)C(=O)[C@H](C)NCCCN)On1nnc2ccccc21,0.24, 0.09888235549421351),14062,TRUE
NC(=O)CCN(C=O)N(C(=O)[C@@H](N)Cc1ccc2oc(CC(N)/C=C/C=O)c(O)c(=O)c2c1O)c1ccc(Cl)cc1,0.24, 0.10677997657693797),14069,TRUE
C[C@@H](O)[C@H](NC(C)(/C=C/C=O)NC(=O)c1nc2cccc(-c3c[nH]c4ccccc34)c2[nH]1)C(=O)[C@H](C=O)CO,0.24, 0.06912064766367515),14076,TRUE
C=C[C@@H]1C[C@]1(N)CC(N)(/C=C/C(=O)OC(C)c1cc2ccccc2s1)N1C[C@H]2CCC(c3ccc(O)cc3)[C@H]2C1,0.24, 0.17355172409778868),14083,TRUE
C[C@H](N)CCC(=O)N(C(=O)[C@@H](N)C(Nc1ccccc1)(Nc1cc(Cl)cc(Cl)c1)C(N)=O)[C@@H](C)C(=O)C=O,0.24, 0.1365719662106358),14090,TRUE
[H]Nc1cccc2c1c(OC(=O)C(=O)[C@@H](N)Cc1nc(C)c(NC(C)=O)s1)nc1ccccc12,0.24, 0.17090311760837915),14097,TRUE
COc1cc([N+](=O)[O-])ccc1/C=C/C(=O)N(C(=O)C(C)(C)C1CC2CCCCC2CN1)[C@@H](C)C(=O)C=O,0.24, 0.1746070819778097),14104,TRUE
CC(=O)c1ccc(-c2cc(O)c(Cl)c(Cl)c2-c2cnoc2C(C)(/C=C/C(=O)OCC(C)C)NC(C)(C)C)o1,0.24, 0.15993971940426924),14111,TRUE
Cc1c(O)cccc1-c1c(C[C@H](N)C(=O)C=O)cc(-c2nccs2)c(OCC(C)C)c1Cl,0.24, 0.34171518969169035),14118,TRUE
CC(=O)[C@@H](N)CCC(=O)N([C@@H](C)/C=C/C=O)C1(c2cccc3ccccc23)OCC[C@@H]1OC(C)(N)/C=C/C=O,0.24, 0.22651870146225994),14125,TRUE
NC(/C=C/C=O)Cc1cc(-c2cc(O)c(O)c(O)c2)c(Br)c(-c2cc(O)c3c(=O)ccoc3c2)c1,0.24, 0.13808217655431473),14132,TRUE
N[C@H](C(=O)C=O)C(c1cc2ccccc2s1)C1CC1,0.24, 0.6722714875161575),14139,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C(=O)Oc1nc2ccccc2c2cccc(N[C@H](C=O)CCCCN)c12)[C@H](C)O,0.24, 0.07156556210792119),14146,TRUE
Cc1cccc2c(NC(Cc3cc(CC(N)/C=C/C=O)ccc3/C=C/C=O)C(=O)C(F)(F)F)ccnc12,0.24, 0.2908525212951769),14153,TRUE
CC(O)C(C)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(F)(F)C(=O)c1ccc(C(C)(N)/C=C/C=O)o1,0.24, 0.1177017464231657),14160,TRUE
CC(/C=C/C=O)N(C=O)C(CC(=O)O)c1nnccc1Oc1nc2ccccc2c2cccc(Nc3nc4ccccc4[nH]3)c12,0.24, 0.08994124039705086),14167,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@@H](N)Cc1cc(Oc2ccc(O)cc2)ccc1C(C)(N)/C=C/C(=O)OP(=O)(O)O,0.24, 0.1478879688830945),14174,TRUE
Cc1c(C[C@H](NCC(=O)NCc2ccc(Cl)cc2)C(=O)C=O)c(C2C(=O)OC[C@@H]2C)cc2c(O)ccnc12,0.24, 0.20405467349222847),14181,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(-c3cccnc3)ccc2c2cccc(Cc3ccccc3Oc3ocnc3C=Nc3ccccc3)c12,0.24, 0.06953880548286134),14188,TRUE
N[C@@H](Cc1cc(O)c(O)c(-n2nnc3ccccc32)c1)C(=O)C=O,0.24, 0.3526033084386121),14195,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccc(N3C[C@H]4[C@@H](C3)C4(C)C)cc12)NS(=O)(=O)c1ccccn1,0.24, 0.15114945141532538),14202,TRUE
Cc1cccc2c(C[C@H](N)C(=O)C(=O)N3CCNCC3)ccnc12,0.24, 0.7948686213401539),14209,TRUE
O=C/C=C/C(Cc1c(O)c(Cl)cc(Cl)c1Cl)(NC(=O)c1ccc(Cl)o1)[C@@H]1CC2CCCCC2CN1,0.24, 0.21222509593999786),14216,TRUE
CC(N)(/C=C/C(=O)Oc1nc2cccc(C(F)(F)c3ccccc3)c2c2ccccc12)N[C@H](C=O)CCC=O,0.24, 0.0940213893695241),14223,TRUE
C[C@H](Nc1cc(O)c(Cl)c(Cl)c1-c1c(C[C@H](N)C(=O)C=O)ccc2[nH]c(C=O)cc12)C(=O)c1nccs1,0.24, 0.12633111123177915),14230,TRUE
C[C@@H](O)[C@@H](C=O)NC(C[C@H](N)C(=O)CF)C(=O)NC(C)(/C=C/C=O)c1cc(N2CCOCC2)n(C)c1,0.24, 0.18456205252938684),14237,TRUE
N[C@@H](Cc1oc2cc(O)cc(O)c2c(=O)c1O)C(=O)C(=O)Nc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,0.24, 0.14804063029109413),14244,TRUE
CC(N)(/C=C/C=O)c1ncc(Nc2ccc(Oc3nc4ccccc4c4ccccc34)cc2)cc1CN1C(=O)C(=O)c2cc(C#N)ccc21,0.24, 0.07451162683786826),14251,TRUE
CC(=O)NC(=O)/C=C/C(C)(N)N(Cc1cc(-c2cccc(/C=C/C=O)c2)n(C)c1)[C@@H](C)C(=O)C(F)(F)F,0.24, 0.28386728220903285),14258,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2cc(O[C@H]3CO[C@H]4OCC[C@@H]34)ccc12)Oc1ocnc1C=Nc1ccccc1,0.24, 0.0753656348355959),14265,TRUE
Cc1nc(-c2cccc3c2c(OC(=O)C(=O)[C@@H](N)Cc2cccc(Cl)c2Cl)nc2ccccc23)cs1,0.24, 0.158461384288423),14279,TRUE
CC(NC(C)(N)/C=C/C(=O)N(C(=O)/C=C/[C@H](C)N)[C@@H](CO)C(=O)OP(=O)(O)O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.05246714958604769),14286,TRUE
N[C@@H](Cc1cc(Oc2nc3ccccc3c3ccccc23)c(O)c(O)c1-c1ccc2[nH]cnc2c1)C(=O)C=O,0.24, 0.10206547643835724),14293,TRUE
Cc1nc(-c2cc3[nH]c(C(=O)N(C)C(=O)/C=C/C(C)(N)Oc4nc5ccccc5c5ccccc45)cc3cc2F)cs1,0.24, 0.13506331024017385),14300,TRUE
CC[C@@H](N)Cc1nc(Oc2cccc(C)c2)c(Br)cc1OC(=O)C(=O)[C@H](C)NCc1ccc([N+](=O)[O-])cc1,0.24, 0.13261035284734018),14314,TRUE
C[C@H]1COC(=O)C1CC(/C=C/C=O)(NC=O)N1C[C@@H]2CCC[C@@H]2C1Oc1nc2ccccc2c2ccccc12,0.24, 0.19257664500415234),14321,TRUE
CC(C)(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1c(O)cc(O)c2c(=O)cc(C[C@H](N)C(=O)C=O)oc12,0.24, 0.09187442446483642),14328,TRUE
CC(N)/C=C/C(=O)Oc1nc2cc(C3C(=O)OC[C@@H]3C)ccc2c2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc12,0.24, 0.18121289925299552),14335,TRUE
CNc1c(N2CCC3CCCCC3C2)oc(=O)c(-c2cc(O)c(O)c(O)c2)c1NC(=O)C(=O)[C@H](C)N,0.24, 0.2546317119531112),14342,TRUE
CCCc1nc2cn(CC(N)(/C=C/C=O)c3ccc(F)c(On4nnc5ccccc54)c3)cc(-c3ccccc3)c-2n1,0.24, 0.17745923861275442),14349,TRUE
[H]Cc1c(Sc2nccc(-c3ccc4cc[nH]c4c3)n2)noc1C[C@H](N)C(=O)C=O,0.24, 0.27184427748588214),14356,TRUE
CCc1cccc2c1nc(OC(=O)C(=O)[C@@H](N)Cc1ccc3c(c1)OCO3)c1ccccc12,0.24, 0.2758625484757514),14363,TRUE
N[C@H](C(=O)C=O)C(c1cc2ccccc2s1)[C@@H]1CC2CCCCC2C(OCC=O)N1,0.24, 0.4955615361303805),14370,TRUE
CC(Cc1c(O)c(Cl)cc(Cl)c1Cl)C[C@H](NC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)B(O)O,0.24, 0.03973583584364962),14377,TRUE
Cc1cccc2c(C(C=O)NC3OCC[C@@H]3Oc3ccc4c(OC(=O)/C=C/C(C)N)nc5ccccc5c4c3)ccnc12,0.24, 0.1069612870384796),14391,TRUE
Cn1nccc1-c1ccc2c(c1)nc(OC(=O)/C=C/C(C)(N)Nc1ccc(Nc3ccccc3O)cc1)c1ccccc12,0.24, 0.05379551786995148),14398,TRUE
N[C@H](C(=O)C(=O)Oc1nc2c(C(=O)/C=C(\O)C(=O)O)cccc2c2ccccc12)C(N)(c1ccccc1)[C@@H]1CCCN1,0.24, 0.04969281959244699),14405,TRUE
CC(/C=C/C=O)(NC(=O)/C=C/c1ccccc1)N(CC=O)Cc1cnccc1On1nnc2ccccc21,0.24, 0.17554193503576299),14412,TRUE
O=C(/C=C/C(Cc1ccccc1)(NCc1cccc(Cl)c1)c1ccc2[nH]cnc2c1)Oc1nc2ccccc2c2ccccc12,0.24, 0.09785794619486295),14419,TRUE
[H]c1cc2c(cc1C1CC1)nc(OC(CCC(N)=O)[C@@H](C=O)NC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.21676389085738107),14433,TRUE
Cc1cccc(NC(=O)C(=O)[C@H](C)N)c1CS(=O)C1=[SH]c2ncccc2N1,0.24, 0.3414010001410557),14440,TRUE
Cc1csc(C[C@H](N)C(=O)C(=O)Oc2cccnc2Oc2nc3c(CC(=O)[C@H](C)N)cccc3c3ccccc23)n1,0.24, 0.14360896589033756),14447,TRUE
C[C@H](CC(Nc1ccc(Cl)cc1Oc1nc2ccccc2c2ccccc12)c1ccc(C=O)o1)[C@@H](C=O)NC(C)(N)/C=C/C=O,0.24, 0.05156327020649781),14454,TRUE
Cc1nc2cc(CC(/C=C/C=O)NCc3cccnc3Oc3nc4ccccc4c4ccccc34)ccc2n1C,0.24, 0.13644873011651537),14461,TRUE
CC(N)(/C=C/C=O)N(C=O)c1c(Cl)cc([N+](=O)[O-])cc1Oc1nc2ccccc2c2cc(-c3cccnc3)ccc12,0.24, 0.05539752653460919),14468,TRUE
CC(N)(/C=C/C=O)N[C@@H](CC(=O)NC(=O)CC[C@H](N)C(=O)CF)C(=O)Oc1ccc(O)cc1-c1c[nH]c2ccccc12,0.24, 0.05317076801334598),14475,TRUE
CC(=O)N1CCN[C@H](C(Oc2nc3ccccc3c3ccccc23)(c2cccs2)C(N)/C=C/C=O)C1,0.24, 0.22853961849614327),14482,TRUE
N[C@@H](Cc1c(O)c(Cl)cc(Cl)c1Cl)C(=O)C=O,0.24, 0.5056937461656519),14489,TRUE
CC(N)(/C=C/C=O)c1ccc(Nc2ccccc2)c(-c2ccc([SH](=O)=O)nc2Cn2cc3c(c2)C(=O)C=CC3=O)c1,0.24, 0.15571382452671823),14496,TRUE
CC(N)(/C=C/C(=O)Oc1nc2cc(Oc3ccccc3)ccc2c2ccccc12)c1ccc2[nH]c(C=O)cc2c1,0.24, 0.10221097524067818),14503,TRUE
CC(C)(C)NC(/C=C/C(=O)NS(=O)(=O)C1(C)CC1)(Cc1ccc2[nH]c(C=O)cc2c1)C1CCCC1Oc1nc2ccccc2c2ccccc12,0.24, 0.0761466443823485),14510,TRUE
CC(C)(C)[C@@H](C=O)Nc1ncsc1-c1cccc(CC(/C=C/C=O)NCc2ccc([N+](=O)[O-])cc2)c1,0.24, 0.1501561329371432),14517,TRUE
N[C@@H](Cc1nnc2n1CC(n1[nH]c(=O)c3cccc(-c4cc(O)c5c(=O)ccoc5c4)c3c1=O)NC2)C(=O)C=O,0.24, 0.1613718769939689),14524,TRUE
CC(C)[C@H](Nc1csc(C(=O)[C@@H](N)Cc2scnc2C(C)(/C=C/C=O)NCC=O)n1)[C@@H](O)C[C@@H](C)C=O,0.24, 0.13047997507882747),14538,TRUE
[H]C(NC)[C@H](N)C(=O)C(=O)N1CCOCC1CC,0.24, 0.5887511516534443),14545,TRUE
[H]NC(C1CCCCC1)([C@@H](C)O)[C@@H](C)C(=O)N[C@@H](Cc1nc(C)sc1NC)C(=O)C=O,0.24, 0.321732349201855),14552,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N[C@H](C=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1,0.24, 0.04365436380560302),14559,TRUE
N[C@@H](Cc1cc(N2CCC3CCCCC3C2)no1)C(=O)C(=O)N(c1ccco1)c1cc(C(F)F)ccc1Cl,0.24, 0.3622729314738265),14566,TRUE
[H]Oc1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccc(-c3cccc4ccccc34)cc12,0.24, 0.23975664042499215),14573,TRUE
C=C[C@@H]1C[C@]1(N)N[C@H](C(=O)C=O)C(N[C@@H](CCC(=O)Oc1nc2ccccc2c2ccccc12)C(C)=O)c1cccc(Cl)c1N,0.24, 0.030275368548909207),14580,TRUE
Cc1c(CN2C(=O)C(=O)c3cc(C#N)cc(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)c32)cccc1C(C)(N)/C=C/C=O,0.24, 0.20829421112906657),14587,TRUE
C[C@H](N)C(=O)C(=O)N(c1c[nH]cn1)[C@H](C(=O)Oc1nc2c(CN)cccc2c2cccc(N[C@@H](CCC=O)C(=O)C(F)(F)F)c12)[C@H](C)O,0.24, 0.05624332119737351),14594,TRUE
N[C@@H](Cc1c(N=Cc2ncoc2O)cccc1-c1nc2c[nH]cc(Oc3nc4ccccc4c4ccccc34)c-2n1)C(=O)C=O,0.24, 0.0870272749350315),14601,TRUE
[H]Oc1cc(N)c([C@H]2COC(=O)C2C)cc1S(=O)(=O)NC(=O)C(=O)[C@H](C)N,0.24, 0.2799829177681975),14608,TRUE
CCCC1=C(O)OC(CC(/C=C/C=O)NC(=O)[C@@H](CC(C)C)NC(=O)C(=O)[C@H](C)N)(c2cc(F)c(F)cc2F)CC1=O,0.24, 0.11034831256342723),14615,TRUE
C[C@H](N)C(=O)C(=O)Nc1ccc(NC(=O)C(Cl)=C(Cl)Cl)cc1-n1ccnn1,0.24, 0.47290046954388915),14622,TRUE
CC(=O)NC(=O)C(=O)[C@H](C)NC(N)(CN)C(C)(O)Oc1ccc(Oc2ccc(O)cc2)c(Cl)c1Cl,0.24, 0.19409095143850272),14629,TRUE
CSc1c(-c2c(O)c(=O)c3c(O)cc(O)cc3o2)c(C)c(NC(=O)C(=O)[C@H](C)N)s1,0.24, 0.29016412062953273),14636,TRUE
CC(Cc1cccc2c1nc(OC1CC1(C)S(=O)(=O)NC(=O)C(=O)[C@H](C)N)c1ccccc12)N[C@H](C=O)[C@H](C)O,0.24, 0.14015022434896102),14643,TRUE
Cc1cccc2c(C3CCN[C@@H]3NC(C)(/C=C/C=O)c3oc4cc(O)cc(O)c4c(=O)c3O)ccnc12,0.24, 0.19813628820832543),14650,TRUE
CC(N)(/C=C/C=O)Nc1ccc(N(c2ccc(O)c(Cl)c2Cl)C2CC2c2ccc(O)c(O)c2)cc1,0.24, 0.11416034844487567),14664,TRUE
CCCc1c(F)cc(F)c(C(C)C[C@H](N)C(=O)C=O)c1F,0.24, 0.6219213850904601),14678,TRUE
Cc1cc(C(=O)N(C(=O)C(=O)[C@H](C)N)c2ccc(-c3cnc(C(=O)[C@H](C)N)s3)cc2-c2ccco2)no1,0.24, 0.2588038821325282),14685,TRUE
Cc1cc(O)ccc1-c1cc(NC(=O)C(=O)[C@@H](N)Cc2c(F)cc(F)c(N[C@H]3c4ccccc4C[C@H]3O)c2F)ccc1N,0.24, 0.13052067519287341),14692,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(Cc1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,0.24, 0.0812556415013069),14699,TRUE
CC(C)C1CCC2C[C@@H](NC(/C=C/C=O)Cc3cccc(Cl)c3Cl)NC(c3ccc(O)c(O)c3)C2C1,0.24, 0.17988005010840882),14720,TRUE
CC[C@H](C)NC(C(=O)NC(=O)COC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2cc(C3CC3)ccc12)C(C)C,0.24, 0.12790206920638622),14727,TRUE
CC[C@H](NC(C)(/C=C/C(=O)N[C@@H](C)C(=O)C=O)c1cccc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)[nH]c12)C(=O)O,0.24, 0.07630768645886923),14741,TRUE
CNc1c(-c2cccc(C)c2)ccc2c1nc(OC1CCC[C@@H]3[C@@H](CNC(C)/C=C/C=O)O[C@H](C)C[C@@H]13)c1ccccc12,0.24, 0.1220910577189613),14748,TRUE
Cc1c(O)cccc1-c1cccc2c1nc(OC(N)CCNC(C)/C=C/C=O)c1ccc(-c3ccco3)cc12,0.24, 0.08791827935655112),14755,TRUE
Nc1ccc(CC(N)(/C=C/C=O)Oc2nc3ccccc3c3ccccc23)cc1C[C@H](N)CC(C=O)O[Na],0.24, 0.0646091783092865),14762,TRUE
CC(/C=C/C=O)NC(=O)[C@@H](O)C(C=O)(N[C@@H](C)C(=O)C(F)(F)F)c1cc(B(O)O)cc([N+](=O)[O-])c1,0.24, 0.07285756213718857),14769,TRUE
Cc1nc(CC(N)(/C=C/C(=O)Nc2ccc(C(=N)N)cc2)Oc2nc3ccccc3c3ccccc23)cs1,0.24, 0.07505752787135352),14783,TRUE
C[C@H](NC[C@H]1OCC[C@H]2CCCC[C@H]12)C(=O)C(=O)Oc1nc2ccc([C@H]3CO3)cc2c2cccc(NS(=O)(=O)c3ccccn3)c12,0.24, 0.10766292850467657),14790,TRUE
CC(/C=C/C=O)(NCc1csc(N)n1)NC1CC1Sc1nc(Oc2nc3ccccc3c3ccccc23)c(C#N)c(=O)[nH]1,0.24, 0.05535861902852567),14797,TRUE
Cc1c(O)cccc1-c1c(O)cc2oc(C(C)(N)/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)c(O)c(=O)c2c1O,0.24, 0.09608300797091507),14804,TRUE
C[C@H](NC(O)C(=O)NC(C)(/C=C/C=O)NC(=O)c1cc(Oc2nc3ccccc3c3ccccc23)co1)[C@@H](C)O,0.24, 0.08237192132116429),14811,TRUE
Cc1cccc2c(C[C@@H](C(=O)C=O)N(C(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)C(C)(C)C)C(=O)c3cc4ccccc4[nH]3)ccnc12,0.24, 0.18490672213248424),14825,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NCC=O)NC(=O)C(Cl)=C(Cl)Cl,0.24, 0.15492277559576276),14832,TRUE
CCC(=O)N(C=O)C(Sc1nncn1-c1ccccc1)(c1ccc(C(C)(N)/C=C/C=O)nn1)c1c[nH]c2ccc(C=O)cc12,0.24, 0.0921965640911007),14839,TRUE
COc1ccc2c(OC(=O)/C=C/C(C)NCc3cccc(Cl)c3)nc3cc(C(F)(F)C(=O)c4ccco4)ccc3c2c1,0.24, 0.07921135730979816),14846,TRUE
[H]N[C@@H](C)C(=O)C(=O)N[C@H](C(=O)C[C@@H](C)C=O)C(C)C,0.24, 0.4705308294268765),14853,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(N/C(C=O)=C\c3ccco3)cccc2c2cc(-n3ccc4ncnc-4c3)ccc12,0.24, 0.09351990951360153),14860,TRUE
CC(N)/C=C/C(=O)Oc1nc2cc(-c3nnc(S)n3-c3ccccc3)ccc2c2c(-c3ccc([SH](=O)=O)nc3)cccc12,0.24, 0.10111873220479765),14867,TRUE
CCCC1=C(O)OC(CCCc2ccc(/C=C/C=O)cc2)(CC(N)/C=C/C=O)C(Cn2cc3c(c2)C(=O)C=CC3=O)C1=O,0.24, 0.2409827038301043),14874,TRUE
C[C@H]1O[C@H](CNC(/C=C/C(=O)N[C@@H](CCC=O)C(=O)C(F)c2cc(Cc3cccnn3)nn2C)CC2CC2)C[C@H]2CCCC[C@@H]21,0.24, 0.21127706360251572),14881,TRUE
N[C@@H](CC1CC2CC(c3cc(O)cc(-c4ccc(C=O)s4)c3)CCC2(N)CN1C(=O)/C=C/c1ccccc1)C(=O)C=O,0.24, 0.19280626058994982),14888,TRUE
CC(C)C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(/C=C/C=O)Nc1cccc(-c2nc(S)[nH]c(=O)c2C#N)n1,0.24, 0.03751687419337515),14895,TRUE
NC(/C=C/C(=O)Oc1nc2c(NC3CCCCC3)cccc2c2ccccc12)(CC1CCC1)c1ccccn1,0.24, 0.14719407132594584),14902,TRUE
[H]N[C@@H](C[C@H]1NC(n2nnc3ccccc32)[C@@H]2CCC[C@H]12)C(=O)C=O,0.24, 0.6219469480772698),14909,TRUE
CC[C@@H](C(=O)O)N(C(=O)/C=C/C(C)N)c1cc(Oc2nc3ccccc3c3ccccc23)c(C(C)=O)o1,0.24, 0.18416582648165844),14916,TRUE
CN(C)C(=O)C(=O)[C@@H](N)CC1CC(c2ccc(NS(=O)(=O)C3(C)CC3)cc2)OC1=O,0.24, 0.45653912841359345),14923,TRUE
CCC(=O)N(C(=O)c1ccc(Cl)o1)C(C)(/C=C/C=O)c1nnccc1-n1cc2ncnc-2cc1-c1ccc(O)cc1,0.24, 0.20465869718422205),14930,TRUE
Cc1nc2cc(C(C(=O)N[C@@H](C)C(=O)C(=O)Nc3ccc(-c4ccc(N5CCC(C)CC5)cc4)cc3)C(C)C)ccc2n1C,0.24, 0.2241969717977151),14937,TRUE
Cc1noc(NC2[C@@H](C(O)[C@H](NCC=O)C(=O)C=O)O[C@H](C)[C@H]3CCCC[C@H]23)c1[N+](=O)[O-],0.24, 0.1956410007988154),14944,TRUE
Cc1ccc(C(CNC(C)/C=C/C=O)(c2ccccc2/C=C/C=O)[C@H](C)NCc2ccc(Cl)cc2)nn1,0.24, 0.2494829938070362),14951,TRUE
C[C@H](N)C(=O)NN(CCC(N)=O)C(=O)c1c(Cl)cc(Nc2c(O)cc3occ(C[C@H](N)C(=O)C=O)c(=O)c3c2O)cc1Cl,0.24, 0.06594025589078217),14958,TRUE
C[C@H](N)C(=O)C(=O)N[C@H]1c2c(cccc2-c2ccccc2Cl)C[C@H]1O,0.24, 0.7287157319026716),14965,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)NCC(CNc1oc2cc(O)cc(O)c2c(=O)c1O)c1ccc2cc[nH]c2c1,0.24, 0.054802534603150065),14972,TRUE
[H]C(c1cc(=O)c2c(O)cc(O)cc2o1)[C@H](N)C(=O)C=O,0.24, 0.5224196562994474),14979,TRUE
Cc1noc(N(C(=O)CC[C@H](N)C(=O)O)C(=O)C(=O)[C@H](C)N)c1[N+](=O)[O-],0.24, 0.2818200380688018),14986,TRUE
NCc1c(C[C@H](N)C(=O)C=O)cccc1[N+](=O)[O-],0.24, 0.3085527410897482),14993,TRUE
C=C[C@@H]1C(c2ccc(F)cc2)(c2ccco2)[C@]1(N)N[C@H](C(=O)C=O)C(NCC=O)c1ccccc1,0.24, 0.1595402998814461),15000,TRUE
[H]C(=O)C(=O)[C@H](Cc1cccc(C)c1)N[H],0.24, 0.5606732915779044),15021,TRUE
CC[C@@H](C=O)NC(C=O)(c1ccc(C=O)s1)[C@H](O)C(=O)NC(/C=C/C=O)Cc1ccccc1CC=O,0.24, 0.22389005149644053),15028,TRUE
CC(/C=C/C=O)NCCC(Oc1nc2ccccc2c2ccccc12)C(c1ccc(Cl)cc1)C1CCCCC1,0.24, 0.11805569113688719),15035,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2C(CCC=O)N1C(=O)/C=C/C(C)(N)N(C(=O)OCC(N)=O)C(=O)C(N)CCC(=O)O,0.24, 0.15060762027412475),15049,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3oc4cc(O)cc(O)c4c(=O)c3O)cccc2c2ccccc12,0.24, 0.16786671659365351),15056,TRUE
COC(C)(/C=C/C(=O)Nc1cc(Cl)cc(Cl)c1)NC(CC(C)c1cc(NC2CCCC2)c(C)nn1)N[C@@H](C)C=O,0.24, 0.12768684268976246),15063,TRUE
Cc1cccc(Oc2c(N)cccc2N(C(=O)C(=O)[C@H](C)NCCCN)c2ccc(Cl)cc2)c1,0.24, 0.22229813270048976),15077,TRUE
CC(/C=C/C(=O)Oc1cccc2[nH]c(C=O)cc12)(N(CCCN)Cc1ccc(Cl)cc1)N(C=O)C(=O)c1ccc(Cl)o1,0.24, 0.06912357822885025),15084,TRUE
CSC(C)CC1=C(O)OC(c2ccc3c(OC(=O)C(=O)[C@H](C)N)nc4ccccc4c3c2)CC1=O,0.24, 0.2825896806070347),15091,TRUE
CC(C)C(Oc1nc2ccccc2c2ccccc12)[C@@H](C=O)C(=O)[C@@H](NC(=O)C(=O)[C@H](C)N)[C@H](O)Cc1ccc(F)cc1,0.24, 0.09339091425809147),15098,TRUE
C#CC[C@@H](C=O)N(C(=O)[C@@H](N)CC)C1CCC[C@@H]2[C@@H](CNC(/C=C/C=O)Cc3cccs3)O[C@H](C)C[C@@H]12,0.24, 0.23222827059975445),15105,TRUE
CC(/C=C/C(=O)N1C(N2CCOCC2)[C@H]2CCCC[C@@H]2C[C@H]1C)NC(=O)c1cc(N[C@H]2c3ccccc3C[C@H]2O)cs1,0.24, 0.40792011462688793),15112,TRUE
CC(=O)n1ccc2c(N[C@H](C=O)CC(C)C)c(C[C@H](N)C(=O)C(=O)N3CCC(C)CC3)ccc21,0.24, 0.4318698842244323),15119,TRUE
CC(C)CN[C@@H](C[C@H]1CN1C(C)C)C(=O)C=O,0.24, 0.3881125630291842),15126,TRUE
N[C@@H](Cc1cccc(Oc2nc3ccccc3c3cccc(C=O)c23)c1[N+](=O)[O-])C(=O)C=O,0.24, 0.14320330651982657),15140,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(N3CCOC([H])C3)cccc12,0.24, 0.4210453248130265),15147,TRUE
COC(C=O)C[C@@H](C=O)NC(N)(/C=C/C=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)c1,0.24, 0.061506259707278424),15154,TRUE
Cc1c(C(F)F)ccc(Cc2cccc(Cl)c2Cl)c1OC(=O)/C=C/C(C)(N)c1ccc(C(=O)CF)o1,0.24, 0.13808132820502603),15161,TRUE
CC[C@H](N)C(=O)NC(/C=C/C(=O)OCc1ccc2cc[nH]c2c1)(Cc1ccccc1)Nc1nc2ccc(CC=O)cc2[nH]1,0.24, 0.06041531547319777),15168,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(Sc3ccccc3Oc3ccc(O)cc3)cccc2c2ccccc12,0.24, 0.15911000440141362),15175,TRUE
C[C@H](N)C(=O)C(=O)OC(C=O)c1cc(C(F)(F)F)cc2ccccc12,0.24, 0.5071470627943907),15182,TRUE
N[C@H](C(=O)C=O)C(c1ccc2OCOc2c1)[C@@H]1CCCN1,0.24, 0.6003454760470563),15189,TRUE
N[C@@H](Cc1ccc(F)c(Oc2nc3ccccc3c3cc(-c4nc5ccccc5c5ccccc45)ccc23)c1)C(=O)C=O,0.24, 0.12357293143926908),15196,TRUE
CC(N)(/C=C/C(=O)Nc1ccc(NC2CCCCC2)cc1)N(c1ccc(O)c(O)c1)[C@H](C=O)CC(N)=O,0.24, 0.11612414485108459),15203,TRUE
CC(C)COC(=O)/C=C/C(C)(N)C1C(N[C@@H](CC(C)C)B(O)O)CCC1Oc1nc2ccccc2c2ccccc12,0.24, 0.11096114356921244),15210,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c([C@H]3CO3)c(N[C@H]3c4ccccc4C[C@H]3O)ccc2c2ccccc12,0.24, 0.16493265105133614),15217,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@@H](N)Cc1cccc2c1c(OC(N)(/C=C/C=O)Cc1ccc(-c3ccc(O)cc3)cc1)nc1ccccc12,0.24, 0.05342986718574958),15224,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@H](C=O)Cc1cc2nc(OC(C)(N)/C=C/C=O)c3ccccc3c2cc1N[C@@H](C)[C@@H](C)O,0.24, 0.08757973258499663),15231,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2c(C[C@H](N)C(=O)c3nc(CC(=O)Oc4ccccc4)cs3)cccc12,0.24, 0.043646404587862724),15238,TRUE
CC(N)/C=C/C(=O)NC(C)C(=O)C(=O)Nc1cc(O)ccc1C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)NC(=O)CC(C)C,0.24, 0.11300619052718389),15252,TRUE
CCOC(=O)[C@@H](N)c1cc(Cc2cc(NC(=O)C(=O)[C@H](C)N)cc(N)c2N)cc2c1OCO2,0.24, 0.21248503687344852),15259,TRUE
NC(=O)C[C@@H](C=O)NC(=O)/C=C/C(N)C[C@@H]1OC1c1cc2ccc([C@H]3CN3C(=O)c3cc4c(O)cccc4[nH]3)cc2s1,0.24, 0.10140920614520443),15266,TRUE
CNc1coc(-c2c(N3CCC4CCCCC4C3)c(C(C)(N)/C=C/C=O)c(CC(N)C(=O)C(F)(F)F)n2C)c1,0.24, 0.3156487061310169),15280,TRUE
C[C@H](N)C(=O)C(=O)NC1(N2CCNCC2)CCC(c2ccc3cc[nH]c3c2)C1,0.24, 0.5785345512910366),15287,TRUE
CN(C)c1ccc(N(C(=O)C(Cl)=C(Cl)Cl)S(=O)(=O)C2(C)CC2)c2c1c(OC(C)(N)/C=C/C=O)nc1ccccc12,0.24, 0.14588796110821),15294,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](C)[C@@H](O)C(Oc1nc2cc(N[C@H]3c4ccccc4C[C@H]3O)ccc2c2ccccc12)[C@H](C)N,0.24, 0.12336478832663955),15301,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@@H](N)C(c1c(O)cc(O)c2c(=O)cc(CC(N)(/C=C/C=O)c3ccco3)oc12)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.12150853029800898),15308,TRUE
Cc1ccc(CC(N)(/C=C/C=O)c2cccc(O)c2C)cc1N[C@H](C(=O)CF)C(CC=O)c1cc(O)c(O)c(O)c1,0.24, 0.10212125465264138),15315,TRUE
C=C[C@@H]1C[C@]1(N)CC(N)(/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)N1CCOC(c2ccccc2)C1,0.24, 0.23351545185791198),15329,TRUE
[H]c1cc(O)ccc1Oc1c(SC)sc(-c2cc3ccc(C[C@H](N)C(=O)C=O)cc3[nH]2)c1C,0.24, 0.19036211082011395),15336,TRUE
C[C@H](N)C(=O)NC(C)(/C=C/C=O)NC1CCCC1Oc1nc2ccccc2c2c(N[C@@H](CCC=O)C(=O)CF)cccc12,0.24, 0.09002712672498187),15343,TRUE
C[C@H](NC(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O)C(=O)C(=O)Oc1nc2cccc(C3CCC3)c2c2ccccc12,0.24, 0.1337031199053241),15350,TRUE
CCC(Oc1c(C)cccc1C)C(c1cccc(Cl)c1)[C@@H](C=O)N(Cc1oc(=O)oc1C)C[C@H](N)C(=O)C=O,0.24, 0.2314911551032109),15357,TRUE
CCCc1ccc2c(c1)c(OC(=O)/C=C/C(C)N)nc1cccc(C(Sc3ncccn3)[C@H](N)[C@@H](O)[C@H](O)[C@H](C)N)c12,0.24, 0.053678494103834906),15364,TRUE
Cc1c(O)c(N2CCOC(O[C@H]3CCOC3Oc3ccc(O)cc3)C2)cc(OC(C)(C)C(N)=O)c1C(C)(N)/C=C/C=O,0.24, 0.2248996607034462),15371,TRUE
CC[C@@H](C=O)Nc1c(-c2cccc3[nH]ccc23)cc(Cl)c(Cl)c1C[C@H](N)C(=O)C=O,0.24, 0.33812752760801723),15378,TRUE
C[C@H](N)C(=O)C(=O)N1CCN(C(=O)c2cc3c(O)ccc(Cn4cc5c(c4)C(=O)C=CC5=O)c3[nH]2)CC1,0.24, 0.43557704547619447),15385,TRUE
NC(/C=C/C(=O)Oc1cc(O)c2c(=O)c(O)coc2c1)(Cc1oc2cc(O)cc(O)c2c(=O)c1O)c1ccc2cc[nH]c2c1,0.24, 0.08301126955284426),15392,TRUE
CC1(C[C@H](N)/C=C/C=O)C(=O)OC(Oc2nc3ccccc3c3ccccc23)[C@@H]1NC(/C=C/C=O)Cc1cccc(Cl)c1Cl,0.24, 0.08760541406480453),15399,TRUE
CCCC(Oc1nc2cc(Nc3ccc(Cl)cc3)ccc2c2ccccc12)[C@@H](C=O)NC(=O)/C=C/C(C)(N)NCC=O,0.24, 0.06975200699729273),15406,TRUE
Nc1ccc(NC(Nc2ccccc2)(c2ccc(N)c(C[C@H](N)CCC=O)c2)[C@H](N)C(=O)C=O)cc1,0.24, 0.09093966449878291),15420,TRUE
[H]c1ccc2nc(OC3CC3(N)C[C@H](N)C(=O)C=O)c3ccccc3c2c1,0.24, 0.39843910886047956),15427,TRUE
C[C@H](N)C(=O)C(=O)NS(=O)(=O)c1ccc(Nc2occc2N[C@@H](CCC=O)C(=O)C(F)(F)F)cc1,0.24, 0.23844488819456386),15434,TRUE
COc1ccc2c(c1)nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.4493434446367398),15448,TRUE
C[C@H](NCc1cc(C#N)cc(-c2ccccc2)c1-c1c[nH]c2ccccc12)C(=O)C=O,0.24, 0.3457399816164706),15462,TRUE
CC(N)(/C=C/C(=O)Nc1ccc(C(=N)N)cc1CN1C(=O)C(=O)c2cc(C#N)ccc21)c1ccccc1N,0.24, 0.10654289763551295),15469,TRUE
[H]Nc1coc(C(=O)Nc2ccc(NC(=O)C(=O)[C@H](C)N)cc2Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.18450995588316046),15476,TRUE
[H]C(CCN)C(Oc1nc2ccccc2c2ccccc12)[C@H](N)C(=O)N[C@@H](C[H])C(=O)C=O,0.24, 0.2555187462295012),15483,TRUE
[H]N[C@@H](Cc1cccc([N+](=O)[O-])c1-c1ccc2c(O)nc3ccccc3c2c1)C(=O)C=O,0.24, 0.16201784504407038),15490,TRUE
Cc1nc2cc(CC(N)(/C=C/C(=O)OP(=O)(O)O)N3C(=O)NCCC3c3ccc(/C=C/C=O)cc3)ccc2n1C,0.24, 0.1719233903297484),15497,TRUE
CC(C)COc1cccc(N=Cc2ncoc2O)c1C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.1065593680817478),15504,TRUE
N[C@@H](Cc1cc(CC(/C=C/C=O)N[C@@H]2CCCN2CCC(=O)O)cnc1[SH](=O)=O)C(=O)c1nccs1,0.24, 0.11421122033617975),15511,TRUE
[H]C1CCC(NC(=O)C(=O)[C@H](C)N)(N[C@@H](CC#C)C(=O)N[C@H](C(=O)[C@H](C=O)CC(C)C)[C@@H](C)O)C1,0.24, 0.07364452578387158),15518,TRUE
CC(C=O)NC1CCC[C@@H]2[C@@H](CN[C@@H](C)C(=O)C=O)O[C@H](C)C(C3CC4CCCCC4C(c4ccc(F)cc4)N3)[C@@H]12,0.24, 0.2878735976897366),15525,TRUE
C[C@@H](O)[C@H](Nc1cc(NC(N)(/C=C/C=O)Cc2ccc([N+](=O)[O-])cc2)ccc1Cl)C(=O)[C@H](C=O)CO,0.24, 0.06166164855229771),15532,TRUE
Cc1nc2cc(-c3c(C(C)C)noc3C[C@H](NCC(N)=O)C(=O)C(=O)Oc3nc4ccccc4c4ccccc34)ccc2n1C,0.24, 0.13039306014480914),15539,TRUE
CC(C)C(C(=O)NC(C)(/C=C/C(=O)OC(C)(C)C(N)=O)Oc1nc2ccccc2c2ccccc12)N(C)C,0.24, 0.18131989054293535),15553,TRUE
CC(/C=C/C=O)(NC(=O)c1cc2ccccc2[nH]1)N1CCOC(Oc2nc3ccccc3c3ccccc23)C1,0.24, 0.18171305956159273),15567,TRUE
C[C@@H](C(=O)C=O)N(C(=O)c1nc2ccc(O)cc2[nH]1)c1ccc2c(c1-c1cc(=O)c3c(O)cccc3o1)OCO2,0.24, 0.2138900519115536),15574,TRUE
N[C@@H](Cc1cn(Cc2ccc(Br)cc2)c(-c2cccc([N+](=O)[O-])c2)c1)C(=O)C=O,0.24, 0.24161400326791804),15581,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1cc(O)c(O)c(O)c1Nc1ccccc1,0.24, 0.06597896868062834),15588,TRUE
CC(N)/C=C/C(=O)N1CCNC(Oc2nc3cccc(NS(=O)(=O)C4(C)CC4)c3c3ccccc23)(C(C)C)C1,0.24, 0.28748827656837034),15595,TRUE
CNC(CN[C@@H](CO)C(=O)N(C=O)C(C)(/C=C/C=O)Oc1nc2ccccc2c2ccccc12)C(=O)O,0.24, 0.11284531515906161),15602,TRUE
CC[C@@H](C=O)Nc1ccccc1OC(=O)CC[C@H](C)NC(C)(/C=C/C=O)NC1CCCC1c1c(C)noc1C,0.24, 0.09697496183874577),15609,TRUE
Cc1cccc(OC(=O)/C=C/C(C)(N)Oc2nc3c(-c4ccccc4[N+](=O)[O-])c(-c4ccno4)ccc3c3ccccc23)c1,0.24, 0.03740275832545591),15616,TRUE
CCc1ccc(C2(NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)N)CC2CC(N)C(=O)C(N)=O)cc1O,0.24, 0.21265059457107452),15623,TRUE
C[C@H](N)C(=O)C(=O)N(C(=O)c1cccs1)C1CC([C@@H]2C[C@H]3CCCC[C@@H]3[C@@H](C)O2)CC1c1cccc2[nH]ccc12,0.24, 0.377946079204776),15630,TRUE
[H]c1cc(C)cc(-c2cc3c(cc2/C=C/C(=O)N(C(=O)[C@@H](N)CC#C)[C@@H](C)C(=O)C=O)OCO3)c1,0.24, 0.27801154189388205),15637,TRUE
CC[C@@H](C)[C@H](N)C(=O)N(C(=O)C(C)N)C(C)(/C=C/C=O)N[C@H](C=O)C[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](C)O1,0.24, 0.20718645840500927),15644,TRUE
[H]N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)C=O,0.24, 0.33221695000120416),15651,TRUE
CC1C(=O)OC[C@@H]1c1c(CC=O)c(F)c(-c2oc3cc(O)cc(O)c3c(=O)c2O)c(Cl)c1C[C@H](N)C(=O)C=O,0.24, 0.17835934091790726),15658,TRUE
Cc1cccc(C)c1-c1cc(C=O)sc1C1CC[C@@H]2C[C@@H](C)O[C@H](CN[C@@H](C)C(=O)C=O)[C@H]2C1,0.24, 0.41087115606855784),15665,TRUE
CC(=O)[C@@H](N)Cc1ccc(C(Oc2ccccc2)[C@H](N)C(=O)C=O)cc1,0.24, 0.5192757175210029),15679,TRUE
CC[C@@H](C=O)Nc1c2c(c(-c3nc(C)cs3)n1CC1CCC(OCC=O)C1C(C)(N)/C=C/C=O)C(=O)C=CC2=O,0.24, 0.27480364371827304),15686,TRUE
CSc1sc(CC(N)(/C=C/C(=O)N(C)c2cc(OC(C)C)ccn2)c2ccoc(=O)c2)c(C)c1Nc1ccc(C(=N)N)cc1,0.24, 0.06785911070386202),15693,TRUE
CCC(C)(C)Nc1ccc(-c2ccc3c(ccn3C(C)=O)c2)c2c1nc(OC(=O)/C=C/C(C)N)c1ccccc12,0.24, 0.13149944471440406),15700,TRUE
CC(N)(/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)Oc1ccc(Oc2nc3ccccc3c3ccccc23)c(Cl)c1Cl,0.24, 0.0940107468464952),15707,TRUE
C[C@H](N)C(=O)C(=O)N(C(=O)CN)c1ccc([N+](=O)[O-])cc1Cl,0.24, 0.4377798542652607),15714,TRUE
CCC[C@H](NC(c1cc(C[C@H](N)CCC(=O)Oc2nc3ccccc3c3ccccc23)c2c(c1)OCO2)[C@H](N)C(=O)C=O)C(=O)C=O,0.24, 0.07034360996545956),15721,TRUE
CC(=O)c1ccc(C2CC(C)CCN2C(=O)C(=O)[C@H](C)N)o1,0.24, 0.6746910524775651),15728,TRUE
CCOC1(Nc2ccccc2)CC1(NC(=O)[C@@H](NC(C)(N)/C=C/C=O)C(C)C)Oc1nc2ccccc2c2ccccc12,0.24, 0.07622553666708727),15735,TRUE
CSc1cc(C)c(N(C(=O)[C@H](CC(C)C)C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)C[C@H](O)[C@H](C)NC(=O)/C=C/C(C)N)s1,0.24, 0.12224141086033788),15742,TRUE
CC(C)C[C@H](NC(=O)/C=C/C(C)(NC(=O)C(Cl)=C(Cl)Cl)N[C@@H](CC(N)=O)C(=O)NC1CCCC1)B(O)O,0.24, 0.08931128037953995),15749,TRUE
NC(=O)CCC[C@@H](C=O)Nc1ccc(O)c(C(c2ccc(Cl)cc2)[C@H](N)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1,0.24, 0.058396382277230575),15756,TRUE
CC(C)C[C@H](C=O)Nc1cc2cc(C(C)(N)/C=C/C=O)sc2cc1-c1cc(C2CCCCC2)c2[nH]c(C=O)cc2c1,0.24, 0.1259265289176683),15763,TRUE
C[C@@H](O)[C@H](NC(C)(N)/C=C/C=O)C(=O)[C@@H](CO)C(=O)NS(=O)(=O)c1ccc(N)cc1N1CCOCC1,0.24, 0.05643922173711823),15784,TRUE
Cn1ccc(-c2ccc(-c3cc(Cl)cc(-c4ccc(C(C)(N)/C=C/C=O)c5ccccc45)c3)c(N)c2)c1,0.24, 0.14385478369057741),15791,TRUE
Cc1nc(-c2ccc(C)c3c2c2ccccc2c(OC(=O)C(=O)[C@H](C)N)n3)cs1,0.24, 0.31377001332591503),15798,TRUE
C[C@H](NC(C)(/C=C/C=O)Nc1ccc(Cl)cc1C(F)(F)C(=O)c1occc1Oc1nc2ccccc2c2ccccc12)[C@@H](C=O)NC(N)=O,0.24, 0.033478870070106345),15805,TRUE
[H]C1CCC[C@H]2[C@H]1C[C@@H](c1ccc(-c3cc(O)ccc3OC(=O)C(=O)[C@H](C)N)cc1)O[C@@H]2C,0.24, 0.40485538398021814),15812,TRUE
Cc1noc(N(C(=O)C(=O)[C@H](C)N)c2oc3cc(O)cc(O)c3c(=O)c2-c2oncc2Oc2nc3ccccc3c3ccccc23)c1[N+](=O)[O-],0.24, 0.08140259420255454),15826,TRUE
CC[C@@H](C)[C@H](N)C(=O)N(C=O)C(C)(/C=C/C(=O)Nc1ccccc1)[C@@H]1CNC(Oc2nc3ccccc3c3ccccc23)CN1,0.24, 0.1140535869061348),15840,TRUE
CC(C)[C@H](NC(=O)/C=C/C(N)CC1CC1)C(=O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)c1nc(Oc2nc3ccccc3c3ccccc23)cs1,0.24, 0.08323042506062327),15847,TRUE
CCCCN(CC(C)C)[C@@H](Cc1c(N[C@@H](CCC=O)C(=O)C(F)(F)F)ccc2[nH]c(C=O)cc12)C(=O)C=O,0.24, 0.2282024113046435),15854,TRUE
NCc1ccccc1-n1c(S)nnc1C[C@H](NCc1ccccc1CC(N)C(=O)C(F)(F)F)C(=O)C=O,0.24, 0.1553438963043364),15861,TRUE
CC(N)/C=C/C(=O)Oc1nc2cccc(C[C@@H](C=O)C(C3CC3)[C@H](O)[C@@H](N)C(C)C)c2c2ccccc12,0.24, 0.15650375912147366),15868,TRUE
C[C@H](NCCC(=O)O)C(=O)C(=O)Oc1nc2ccccc2c2cc(C3CCCCC3)ccc12,0.24, 0.299526016447606),15875,TRUE
[H]C[C@H](NCc1ccc([N+](=O)[O-])cc1[H])C(=O)C=O,0.24, 0.3419268021270722),15882,TRUE
CSC(C)(C)OC(C)(/C=C/C(=O)N1C[C@@H]2[C@H](C1C(C)C)C2(C)Cc1ccc(/C=C/C=O)cc1)NC(=O)[C@H](C)N,0.24, 0.22507622364848667),15889,TRUE
CC(N)(/C=C/C=O)c1ccc(Cl)c(-c2ccc(Oc3nc4ccccc4c4ccccc34)c3[nH]c(C=O)cc23)c1,0.24, 0.12145918126033402),15896,TRUE
N[C@@H](CC(C(=O)N[C@@H](Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)C=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C(=O)CF,0.24, 0.22607983803502454),15903,TRUE
CCCCc1cc(CC(N)(/C=C/C=O)Oc2cccc3[nH]c(C=O)c(Cc4cccnn4)c23)cnc1[SH](=O)=O,0.24, 0.09895125510750803),15910,TRUE
[H]N[C@@H](Cc1ccc2[nH]c(C=O)cc2c1)C(=O)C(=O)Oc1ccc(-c2cc(F)c(F)cc2F)nc1,0.24, 0.18609233848781964),15917,TRUE
CCc1c(C)c(C[C@H](N)C(=O)C=O)c(C)c(C(O)N[C@H](C=O)CC(N)=O)c1-c1ccc(O)cc1,0.24, 0.17315212833405777),15924,TRUE
CC(N)(/C=C/C=O)Nc1ccc(Oc2nc3c(C(=O)/C=C(\O)C(=O)O)cccc3c3ccccc23)c(-n2ccnn2)c1,0.24, 0.04733322330978258),15931,TRUE
Cc1nc2cc(C(Nc3ccccc3)(Oc3cccc4[nH]c(C=O)cc34)[C@H](N)C(=O)C=O)ccc2n1C,0.24, 0.1616381675542303),15938,TRUE
Cn1ccc2nc(C(C)(/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)NC(=O)C(Cl)=C(Cl)Cl)nc-2c1,0.24, 0.15025971785435585),15945,TRUE
CC(=O)N(C(=O)C(C)N)C(/C=C/C=O)C(Nc1ccc(N)cc1)c1ccc([N+](=O)[O-])cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.04093280405686729),15959,TRUE
C[C@H](N)C(=O)C(=O)Oc1c(O)ncc(-c2cc3nc[nH]c3cc2OC(C)(C)C)c1N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.3375673233816015),15973,TRUE
CC1CCN(C(CC(=O)O)Cc2cccc(C[C@H](N)C(=O)C(=O)O[Na])c2Nc2ccc(N)cc2)CC1,0.24, 0.20527341654322287),15980,TRUE
[H]OC(=O)C(=O)[C@@H](N)Cc1ccc(Cl)cc1,0.24, 0.7481236376235129),15987,TRUE
Cc1oc(=O)oc1CNC(C)(/C=C/C=O)c1scnc1Oc1nc2ccccc2c2cc(C[C@H](N)C(=O)C(F)(F)F)ccc12,0.24, 0.11300008968617392),15994,TRUE
CC(=O)NC(=O)[C@@H](NC(C)(/C=C/C(=O)N[C@@H](C)[C@@H](O)C[C@H](C)N)Nc1oc2cc(O)cc(O)c2c(=O)c1O)C(C)C,0.24, 0.12363786635598929),16001,TRUE
Cc1nc2cc(C(C)(Oc3nc4ccccc4c4ccccc34)[C@@H](C=O)NC(=O)C(=O)[C@H](C)N)ccc2n1C,0.24, 0.18096496571520762),16008,TRUE
O=C(O[Na])C(=O)[C@H](Cc1oc2cc(O)c(-c3cc(B(O)O)cc([N+](=O)[O-])c3)c(O)c2c(=O)c1O)NC(=O)c1nc2ccccc2[nH]1,0.24, 0.046659861076091),16015,TRUE
[H]N[C@@H](Cc1cc2ccccc2s1)C(=O)C=O,0.24, 0.6433516949489637),16022,TRUE
CC(N)(/C=C/C(=O)N1CCn2cnnc2C1)NC(C=O)C(CC(=O)O)Oc1nc2ccccc2c2ccccc12,0.24, 0.11580839722839367),16029,TRUE
CCC[C@H](N)C(=O)C(=O)N[C@@H](C=O)COC1(Oc2nc3ccccc3c3ccccc23)CCC(C[C@H](N)C(=O)C=O)C1,0.24, 0.10493651183958824),16036,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccc(-c3cccc4[nH]c(C(=O)Nc5nc6ccccc6[nH]5)cc34)cc12,0.24, 0.11745259112742207),16043,TRUE
CC[C@@H](C)[C@H](N)C(=O)Nc1nc2ccccc2n1Cn1ccc2nc(C(N)(/C=C/C=O)Cc3cccc(C#N)c3)nc-2c1,0.24, 0.1584481320243761),16050,TRUE
C[C@@H](C=O)Nc1cc2nc(OC(=O)C(=O)[C@@H](N)Cc3ccc4c(c3)OCO4)c3ccccc3c2cc1Sc1ncccn1,0.24, 0.0784734939323242),16071,TRUE
CC1CCN(C(=O)C(=O)[C@@H](N)C(c2c(Cl)cc(F)cc2-n2ccnn2)C2CC2)C(N2C[C@H]3CCCC[C@@H]3C[C@H]2C)C1,0.24, 0.46332586737602444),16078,TRUE
CNc1cccc(CN[C@@H](Cc2ccnn2Cc2csc(C)n2)C(=O)C(N)=O)c1,0.24, 0.4347879917976865),16085,TRUE
C[C@H](NC(C(N)=O)c1ccn(C)c1)C(=O)C(=O)Nc1cc(Cl)c(Nc2ccccc2Cl)c(Cl)c1,0.24, 0.3098880161576119),16092,TRUE
O=C/C=C/c1ccc(CC(/C=C/C=O)N(CCc2cccc([N+](=O)[O-])c2)[C@H](C=O)CCCCNC(=O)c2nc3ccccc3[nH]2)cc1,0.24, 0.04762588456663292),16099,TRUE
CC(C)[C@H](N)C(=O)C[C@@H](C)C(=O)N(C(=O)/C=C/c1ccc2c(c1)OCO2)[C@@H](C)C(=O)C=O,0.24, 0.32620623853561376),16106,TRUE
CCC1(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)CC(C)CCN1C(=O)C(=O)[C@H](C)N,0.24, 0.44443895538274997),16113,TRUE
CC1CCN(c2c(O)ccc(OC(=O)C(=O)[C@H](C)N)c2OC(C)(C)Cc2ccccc2)CC1,0.24, 0.3547904758584661),16120,TRUE
C[C@H](N)C(=O)C(=O)O[C@H]1CCOC1CN1C(=O)C(=O)c2cc(C#N)cc(-c3ccc(Br)cc3)c21,0.24, 0.44626054469164794),16127,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cccc([C@H]3COC(=O)C3)c2c2cccc(Nc3nc4ccccc4[nH]3)c12,0.24, 0.1761298271196426),16148,TRUE
[H]OC1(C(=O)O)CCCC1N(C(=O)C(=O)[C@H](C)N)C(=O)c1cc2c(O)cccc2[nH]1,0.24, 0.4377496424253809),16155,TRUE
CC(C)C[C@@H](C=O)C(=O)[C@@H](NC(C)Cc1cccc2c(OC(C)C(C)(C)NC(=O)C(=O)[C@H](C)N)nc3ccccc3c12)[C@@H](C)O,0.24, 0.08107017635254711),16169,TRUE
CC(C)[C@H](N)[C@@H](O)C(Oc1nc2ccccc2c2ccccc12)[C@@H](C)C(=O)NC(C)(/C=C/C=O)Oc1ccc(C[C@H](N)/C=C/C=O)cc1,0.24, 0.059352091467854966),16176,TRUE
[H]NC(C=O)OC(=O)C(=O)[C@@H](N)CC1CC(c2cc(C3CC3)c(C=O)s2)C1,0.24, 0.2861139274846302),16183,TRUE
CCCc1cccc2c(OC(=O)C(=O)[C@@H](N)Cc3cccc4cc[nH]c34)nc3ccccc3c12,0.24, 0.20905845288870392),16190,TRUE
[H]Nc1ccc([H])c2c1c(Oc1c(F)c(F)cc(F)c1C[C@H](N)C(=O)C=O)nc1ccccc12,0.24, 0.15549192562096645),16197,TRUE
CC(C)C[C@@H](C=O)NC1CCC(Nc2cc(CNC(C)/C=C/C=O)ccc2Cl)C1[C@H](C=O)C(C)C,0.24, 0.23508989101885866),16204,TRUE
N[C@@H](Cc1c(O)c(=O)c2c(O)cc(O)cc2o1)C(=O)C=O,0.24, 0.43664583975354),16211,TRUE
C[C@H](NC(=O)[C@H](C)C(NC1CCCCC1c1ccc(O)cc1)C(=O)[C@@H](N)C(C)(C)Oc1nc2ccccc2c2ccccc12)C(=O)C=O,0.24, 0.09085759507447716),16218,TRUE
CC(C)[C@H](N)C(=O)C(c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@@H](Cc1cc(Nc2ccc(N)cc2)co1)C(=O)C=O,0.24, 0.07411139610801716),16225,TRUE
CC(/C=C/C(=O)Oc1nc2cc(C=O)ccc2c2c(-c3nc4ccn(C)cc-4n3)cccc12)NC(=O)c1cc2ccccc2[nH]1,0.24, 0.10222390872025543),16239,TRUE
CCCC[C@@H](C=O)Nc1c(C[C@H](N)C(=O)C=O)ccc(F)c1[C@H](CC)Cc1ccccc1C,0.24, 0.3196257684408815),16246,TRUE
Cc1ccc(C2CC[C@H]3CCN(C(=O)/C=C/C(Cc4nc(C)c(Nc5ccccc5)s4)NC(C)(C)C)C[C@H]3C2)cc1,0.24, 0.2715029522274147),16253,TRUE
CC(C)C1(c2cccc(N)c2)OC(=O)C(N[C@@H](C)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)[C@H]1C,0.24, 0.15621712926327858),16260,TRUE
CC(C)[C@H](N)C(=O)C[C@H](C=O)CC1(CN)CC(CN2C(=O)C(=O)c3cc(C#N)ccc32)[C@H]2[C@@H](C[C@@H](N[C@@H](C)C(=O)C=O)O[C@@H]2C)C1,0.24, 0.19829450048069613),16267,TRUE
CSc1cc(C)c(-c2cc(C=O)oc2-c2ccc3nc(OC(=O)/C=C/C(C)N)c4ccccc4c3c2)s1,0.24, 0.07964520725239327),16274,TRUE
C[C@@H](C=O)Nc1ccc(CC(N)(/C=C/C=O)c2ccc3c(c2)nc(Cc2ccccc2)n3C)cc1[N+](=O)[O-],0.24, 0.13325418441928466),16281,TRUE
CC(N)/C=C/C(=O)Oc1nc2cc(C[C@H](N)/C=C/C=O)ccc2c2cccc(C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)N)c12,0.24, 0.08318864564003356),16288,TRUE
Cc1noc(C)c1-c1cccc2c(OC(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)nc3ccccc3c12,0.24, 0.18354961211529444),16295,TRUE
N[C@@H](Cc1cnccc1Nc1ccc(CC=O)cc1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.1316888133171112),16302,TRUE
Cc1nnc(C(C)(/C=C/C=O)NC(C(O)C(C)N)[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)c(C[C@@H](C=O)C[C@@H](C)O)c1N[C@H](C=O)CO,0.24, 0.06346863807341022),16309,TRUE
C[C@H](N)C(=O)C(=O)N1C(=O)NCCC1c1c(Cl)c(CC(N)C(=O)C(F)(F)F)c(Cl)c(O)c1,0.24, 0.4335042587612727),16316,TRUE
NC(/C=C/C(=O)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](CCC(=O)O)C(=O)C(F)(F)F)Cn1nnc2ccccc21,0.24, 0.18056617007232603),16330,TRUE
CCCNC(=O)[C@@H](N)CCNC(C)/C=C/C(=O)Oc1nc2ccccc2c2c(-c3cccc(O)c3C)cccc12,0.24, 0.12281839787265655),16337,TRUE
CC(=O)c1cc(CC2C(=O)OC[C@@H]2C)c(C(Sc2nncn2-c2ccccc2O)[C@H](N)C(=O)C=O)o1,0.24, 0.13404600328946295),16344,TRUE
CC(=O)Nc1cc(-c2ccc(/C=C/C=O)cc2)cc(Nc2cc(F)c(F)cc2F)c1C(C)(N)/C=C/C=O,0.24, 0.19846610970992382),16351,TRUE
CNc1ccc(C(C)(N)/C=C/C(=O)N(c2ccccc2/C=C/C=O)[C@@H](CC(C(=O)O)[C@H]2CO2)C(=O)C(F)(F)F)cc1,0.24, 0.18715737741762936),16358,TRUE
CC[C@@H](C=O)Nc1cccc2c1c(OC(=O)/C=C/C(C)([C@@H]1CCCN1)N(CCC(=O)O)C(C)(C)C)nc1ccccc12,0.24, 0.11413409724705394),16365,TRUE
Cc1nc(-c2ccccc2-n2c(S)nnc2C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)cs1,0.24, 0.1229235330684284),16372,TRUE
Cc1nc2cc(-c3cc(CC(/C=C/C=O)NC(=O)CC(C)(C)c4ccc(C(=O)CF)o4)ccc3Cl)c(CC=O)cc2n1C,0.24, 0.11643870404305591),16379,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(NC(C)(C)C)cccc2c2cc(Nc3ccc([N+](=O)[O-])cc3Cl)ccc12,0.24, 0.08860033938533794),16386,TRUE
C[C@H](NCc1cccnc1-n1cc2C(=O)C=CC(=O)c2c1)C(=O)C(=O)NC1(N)CCCC1,0.24, 0.4390380672223113),16393,TRUE
CC(=O)[C@H](C)NC(=O)/C=C/C(C)(N)c1c(C[C@@H](N)CC=O)c(C2(N)CC2Oc2nc3ccccc3c3ccccc23)cc2[nH]ccc12,0.24, 0.07728243436698867),16407,TRUE
[H]C(=O)C(=O)[C@H](Cc1oc2cc(O)cc(O)c2c(=O)c1O)N[H],0.24, 0.43664583975354),16414,TRUE
CC(C)COc1cccc2c1c(OC(=O)C(=O)[C@@H](N)CC1CCCCC1)nc1ccc(C(=O)O)cc12,0.24, 0.24529868903493451),16421,TRUE
[H]N[C@@H](Cc1cc(C[C@@H](C=O)C[C@@H](C)O)c(O)cc1C(F)(F)C(=O)c1ccco1)C(=O)C=O,0.24, 0.25102296767252863),16428,TRUE
CN(C)c1cc2c(cc1/C=C/C(=O)NC(=O)C(=O)[C@@H](N)Cc1cc(=O)c3c(O)cc(O)cc3o1)OCO2,0.24, 0.26102696202979203),16435,TRUE
CC[C@@H](C=O)NC(=O)[C@@H](N)Cc1c(C(=O)NC(C)(/C=C/C=O)N[C@@H](CC(C)C)B(O)O)[nH]c2ccccc12,0.24, 0.07480106328437473),16442,TRUE
C=C(C(=O)c1c(-c2c[nH]cn2)ccc2c(OC(=O)/C=C/C(C)N)nc3ccc(C(=O)O)cc3c12)C(C)Nc1ccccn1,0.24, 0.0773253006419452),16449,TRUE
[H]C(=O)C(=O)[C@@H](N)C(CC)c1oc2cccc(O)c2c(=O)c1O,0.24, 0.5494810588287373),16456,TRUE
C[C@H]1O[C@H](C(N)(/C=C/C=O)CC2(Oc3nc4ccccc4c4ccccc34)CCCC2)C[C@H]2CCCC[C@@H]21,0.24, 0.21156800920240404),16463,TRUE
N[C@@H](Cc1cc(N(c2ccccc2)c2c(Cl)cc([N+](=O)[O-])cc2-c2c(O)c(Cl)cc(Cl)c2Cl)c2cc[nH]c2c1)C(=O)C=O,0.24, 0.04768253939131054),16470,TRUE
CCCCc1cc(C[C@H](N)C(=O)C=O)cc2c1[nH]cc2,0.24, 0.5986875928457739),16477,TRUE
[H]C(N)(/C=C/C(=O)N[C@@H](C)C(=O)C=O)Cc1cc(Cc2cccnn2)cc(Nc2ccc(N)cc2)c1,0.24, 0.1431950080786688),16484,TRUE
[H]C(c1c(N[H])n(C(C)=O)c2ccc(C(Sc3ncc(C#N)c(=O)[nH]3)[C@H](N)C(=O)C=O)cc12)[C@H](N)C(=O)C=O,0.24, 0.11275761296404185),16491,TRUE
C[C@H](N)C(=O)C(=O)Oc1ccccc1N1C[C@H]2CCCC[C@@H]2C(c2ccc3cc[nH]c3c2)[C@H]1C,0.24, 0.3254037402558797),16498,TRUE
[H]C(N)(Cc1ccc(C[C@H](N)C(=O)C=O)c(C)c1O)C(=O)C(F)(F)F,0.24, 0.48311646924021995),16505,TRUE
[H]OC1C(=O)C(CCC)=C(O)OC1C(Oc1nc2ccccc2c2ccccc12)([C@H](N)C(=O)C=O)[C@H]1CN1,0.24, 0.14442816202769043),16512,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cccc(N2C(=O)NCCC2NC)c1N,0.24, 0.31368293943460585),16519,TRUE
Cc1cnc(C(=O)N(C=O)C(C)(/C=C/C=O)NC(C)C(=O)C(N)=O)c(Nc2ccccc2C(=O)O)n1,0.24, 0.13642152938133673),16526,TRUE
C[C@@H](O)[C@@H](C=O)NC(C)(C)C[C@@H](C=O)Nc1ccc(Nc2ccc(C(=N)N)cc2)c(C[C@H](N)C(=O)C=O)c1,0.24, 0.07196805664749512),16533,TRUE
C[C@@H](C=O)NC1Oc2ccc(C[C@H](N)C(=O)C=O)cc2O1,0.24, 0.5176587785428509),16540,TRUE
CC[C@@H](C=O)Nc1c(Oc2nc3ccccc3c3ccccc23)ccc(-c2ccc(C(C)(N)/C=C/C=O)c(C)c2)c1N,0.24, 0.07263618486731187),16554,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2cc(C3CCCCC3)ccc12)NS(=O)(=O)C1(C)CC1,0.24, 0.20047513163981745),16561,TRUE
Cc1ccc(Oc2nc3ccccc3c3ccccc23)c(C)c1-c1cccc(N(C(=O)C(=O)[C@H](C)NC(C)(C)C)c2ccccc2)c1,0.24, 0.1354058782088039),16568,TRUE
[H]C(c1ccc(Cl)c(NC2CCCCC2)c1C[C@H](N)C(=O)C=O)[C@@H](C=O)C[C@@H](C)O,0.24, 0.373376081518816),16582,TRUE
CC(N)C(O)CNC(/C=C/C=O)Cc1cc(O[Na])nn1Cc1c(Cl)cc(Cl)cc1-c1cccc([N+](=O)[O-])c1,0.24, 0.09341366516053334),16589,TRUE
CC(N)(/C=C/C=O)Nc1ccc(C2CC(C(F)(F)F)CCC2Oc2nc3ccccc3c3ccccc23)cc1OCC=O,0.24, 0.09154860165471118),16596,TRUE
CC(C)C[C@H](NC1[C@@H]2CCC[C@@H]2CN1c1[nH]nnc1C(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)B(O)O,0.24, 0.07926074525975603),16603,TRUE
CC(C)OC(C)[C@@H](C(=O)O)N(C(=O)/C=C/[C@H](C)NCc1cccc(C#N)c1)C(C)(/C=C/C=O)C1CC2CCCCC2CN1,0.24, 0.21442286186740514),16610,TRUE
[H]N(C(=O)C(=O)[C@H](C)N)[C@H](C=O)CCC(CN)c1cccc([N+](=O)[O-])c1,0.24, 0.23197820106384917),16617,TRUE
[H]Nc1cccc(C[C@H](N)C(=O)C(N)=O)c1,0.24, 0.4425124515728746),16624,TRUE
[H]N[C@@H](Cc1cc(N2C(=O)NCCC2CCC=O)cc2cc[nH]c12)C(=O)C=O,0.24, 0.47339940532844826),16631,TRUE
[H]c1cc(C[C@@H](C=O)C[C@@H](C)O)c2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c2c1,0.24, 0.25400923957388083),16638,TRUE
[H]C(c1c(N)cccc1Oc1nc2ccccc2c2cccc(N)c12)[C@H](N)C(=O)C=O,0.24, 0.1959380202271532),16659,TRUE
CCCc1c(O)c(-c2cc(=O)c3c(O)cc(O)cc3o2)c(O)c2c(=O)c(O)c(C[C@H](N)C(=O)C=O)oc12,0.24, 0.1540222266171671),16666,TRUE
[H]C(=O)/C=C/c1ccc(-c2cc(C[C@H](N[H])C(=O)C=O)on2)cc1,0.24, 0.46764657854237146),16673,TRUE
CC(C)NS(=O)(=O)c1ccc(C(Oc2nc3ccccc3c3ccccc23)C(N)(/C=C/C=O)c2ccc3[nH]ccc3c2)cn1,0.24, 0.10367593535928842),16680,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cccc(O[C@H]3CO[C@H]4OCC(Oc5ccccc5)[C@@H]34)c12,0.24, 0.22476959139987177),16687,TRUE
C[C@H](NCc1cccnc1)C(=O)C(=O)Oc1nc2cccc(C3CC(OC(C)(C)C(N)=O)C3)c2c2ccccc12,0.24, 0.1754191310796769),16708,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2CN1C1OCC[C@@H]1Oc1cc(C(C)(N)/C=C/C=O)cc(-c2nc(C=Nc3ccccc3)c(O)o2)c1N,0.24, 0.11947143677164031),16715,TRUE
[H]c1cc(C#N)cc2c1N(Cc1c(Cl)cc(Cl)c(C[C@H](N)C(=O)C=O)c1C=O)C(=O)C2=O,0.24, 0.4950046795974588),16722,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(Nc3nc4ccccc4[nH]3)ccc2c2ccccc12,0.24, 0.222101098351031),16729,TRUE
CC(C)CN[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.41859976231773555),16736,TRUE
C[C@@H](Oc1cc(-c2cccc(N)c2)c2c(c1)c(OC(=O)C(=O)[C@@H](N)CC1(N)CC1)nc1ccccc12)[C@H](N)C=O,0.24, 0.07638998516215094),16743,TRUE
C=C[C@@H]1C[C@]1(NC(=O)/C=C/c1ccccc1)C(CC)C(c1ccccc1F)[C@@H](C=O)NC(=O)/C=C/C(C)(N)OC(C)(C)C,0.24, 0.11767582945525985),16750,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)Nc1cc(CC(N)(/C=C/C=O)[C@H]2NCCC2CC(C=O)O[Na])nc(S)n1,0.24, 0.05083529894579188),16764,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccc(O[C@H]3CO[C@H]4OCC[C@@H]34)cc2c2cccc(Nc3ccc(C(=N)N)cc3)c12,0.24, 0.08301221618624348),16771,TRUE
N[C@@H](Cc1cccc2c1cc(C=O)[nH]2)C(=O)C=O,0.24, 0.5951945348508177),16778,TRUE
CC(C)C(c1ccc(-c2ccccc2F)c(Cl)c1Cl)[C@@H](C(=O)N[C@@H](C)C(=O)C=O)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.22717280440877183),16785,TRUE
C[C@H](N)C[C@H](O)[C@@H](N)C(Oc1nc2ccccc2c2ccccc12)C1CCC(C(C)(N)/C=C/C=O)CC1,0.24, 0.1869404711532101),16799,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1nnc2n1CC(N[H])(c1ccccc1F)NC2,0.24, 0.47144662431792117),16813,TRUE
NCc1ccc(C[C@H](N)C(=O)C=O)cc1/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.13802145555555073),16820,TRUE
CC(=O)NC(C)(/C=C/C=O)[C@@H]1CC2CCCCC2C(Oc2nc3ccccc3c3c(-c4cnc(C(=O)[C@H](C)N)s4)cccc23)N1,0.24, 0.0951617618879171),16827,TRUE
C[C@@H](O)[C@@H](N)Cc1c(CC(N)/C=C/C(=O)OCCc2ccccc2CC(N)C(=O)C(N)=O)ccc2[nH]cnc12,0.24, 0.09236781090418454),16834,TRUE
CCOc1ccccc1CNC(/C=C/C=O)C[C@H]1COC(=O)C1(N[C@H](C=O)[C@@H](C)O)c1ccc(/C=C/C=O)cc1,0.24, 0.16451040706729506),16841,TRUE
CC(C)C[C@H](NC(=O)C(=O)[C@H](C)N(Cc1ccc([N+](=O)[O-])cc1)CC(N)C(C)O)B(O)O,0.24, 0.11525373870587484),16855,TRUE
Cc1c(C(c2cc(-n3ccnn3)cc3[nH]cc(Sc4ccccc4)c23)[C@H](N)C(=O)C=O)ccc(N2CCC(C)CC2)c1O,0.24, 0.1532797240176382),16862,TRUE
[H]NC(C(C)C)[C@@H](C=O)Nc1cc2c(O)ccnc2c(C)c1C[C@H](N[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](C)O1)C(=O)C=O,0.24, 0.24982390655906217),16869,TRUE
C[C@@H](C(=O)C=O)N(C(=O)[C@H](C)CC(=O)[C@@H](N)C(C)(C)Oc1nc2ccccc2c2ccccc12)c1ccc(Cl)cc1,0.24, 0.1465743133956457),16883,TRUE
Cn1c(CN[C@@H](C=O)COC2N[C@H](Cn3ccc(C(C)(N)/C=C/C=O)c3)C[C@@H]3CCCC[C@H]23)nc2ccccc21,0.24, 0.23604581297495986),16890,TRUE
CSC(C)(/C=C/C(=O)Oc1c(OC[C@@H](N)C=O)ccc2[nH]c(C=O)cc12)NCc1csc(N)n1,0.24, 0.09476028607009129),16897,TRUE
CSc1scc(Cc2cccc3[nH]c(C=O)cc23)c1C(OC(=O)C(=O)[C@H](C)N)C(C)C,0.24, 0.21165409023331733),16904,TRUE
[H]c1c(Oc2nc3ccccc3c3ccccc23)cc(O)cc1C1CCNC(=O)N1c1cc(C[C@H](N)C(=O)C=O)ccc1Cl,0.24, 0.11667219286794328),16911,TRUE
[H]C(=O)[C@@H](NC(=O)C(=O)[C@H](C)N)C(CCC)c1cc2c(N[H])cccc2s1,0.24, 0.37760698744496723),16925,TRUE
CCC[C@H](NC1O[C@H]2OCC[C@H]2[C@H]1OC(=O)C(=O)[C@H](C)N)C(=O)C=O,0.24, 0.3047667134318224),16932,TRUE
Cc1c(C(C)(C)NC(/C=C/C(=O)O[Na])Cc2nnc(S)n2-c2ccccc2)ccc2c(O)ccnc12,0.24, 0.1882051716777158),16939,TRUE
Cc1noc(Nc2ccc3c(OC(=O)[C@@H](N)[C@H](C)OC(=O)C(=O)[C@H](C)N)nc4ccccc4c3c2)c1[N+](=O)[O-],0.24, 0.09213839520357209),16946,TRUE
C[C@H](NCc1ccc(Cl)cc1)C(=O)C(=O)Oc1nc2ccccc2c2cc(Nc3ccc(C(=N)N)cc3)ccc12,0.24, 0.06053569962492803),16953,TRUE
O=CNC(=O)C(=O)[C@H](CC1NCC2CCCCC2C1C=O)NC(=O)c1cc(C(=O)O)cs1,0.24, 0.3019464100669939),16974,TRUE
[H]CC(C)(NC(=O)C(=O)[C@H](C)N)C(C)c1c(C)cc(-c2ccc(/C=C/C(=O)O)cc2)cc1C,0.24, 0.4282511886471703),16981,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(-c3oc4ccc([C@H]5CN5)c(O)c4c(=O)c3O)ccc12,0.24, 0.08717349861072943),16988,TRUE
Nc1cccc(C[C@H](N)C(=O)C(=O)OC[C@@H](N)C(=O)Oc2nc3ccccc3c3cc(Cc4cccnn4)ccc23)c1,0.24, 0.09771706920609965),16995,TRUE
Cc1nc(C(C)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)NCc2ccc(Cl)cc2)sc1N1CCCC1Nc1ccccc1,0.24, 0.08534989751915747),17002,TRUE
CC[C@H](C)c1cc(-c2c(CNC(C)/C=C/C=O)cc(C#N)cc2C(=O)/C=C(\O)C(=O)O)cc2cc(C=O)[nH]c12,0.24, 0.11104639938574946),17009,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)/C=C/C(C)(NC(C)(C)C)NC(C)(C(=O)C(F)(F)F)C1(N)CC1,0.24, 0.3627667375102226),17016,TRUE
C[C@@H](OC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)NCCCN)[C@@H](C=O)Nc1cscn1,0.24, 0.058217744791630985),17023,TRUE
[H]c1ccc(-c2cc(Nc3ncsc3C[C@H](N)C(=O)C=O)ccc2-c2ccccc2)c(Cl)c1Cl,0.24, 0.2253228539535383),17030,TRUE
CCc1csc(C(=O)[C@@H](N)Cc2c(C(C)(N)/C=C/C=O)ccc3[nH]cc(Oc4nc5ccccc5c5ccccc45)c23)n1,0.24, 0.0731475472149525),17037,TRUE
CC1CCN(C(=O)C(=O)[C@H](C)N)C(N2C(=O)NCCC2N[C@@H](C)C(=O)C=O)C1,0.24, 0.3696714380314227),17044,TRUE
C[C@H](NC(=O)[C@H](CO)NCc1cc(Cl)cc(CCCC(=O)O)c1)C(=O)C(=O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0.24, 0.1100636014288837),17051,TRUE
C[C@@H](O)C(N)(c1ccc(Cl)cc1Cl)[C@H](C=O)CC1(c2ccc3cc[nH]c3c2)CCC(C[C@H](N)C(=O)C=O)C1,0.24, 0.20279552236874593),17058,TRUE
CCCc1cc(Cl)c(Cl)c(C[C@H](N)C(=O)C=O)c1Oc1nc2ccccc2c2ccc(-c3ccccc3O)cc12,0.24, 0.10790512724036853),17065,TRUE
C[C@@H](O)[C@@H](N)CC1OC(=O)C(C[C@H](Nc2ccc(C=O)o2)C(=O)C=O)(c2ccc(C(=O)CF)o2)[C@H]1C,0.24, 0.15454658783435757),17072,TRUE
CC(C)(C)Oc1cc(Cl)ccc1C(C)(N)/C=C/C(=O)OC(C)(Cc1nc(S)[nH]c(=O)c1C#N)C(N)=O,0.24, 0.17309671440472357),17079,TRUE
CNc1c(C(C)(N)/C=C/C(=O)N[C@H](C=O)CCC=O)c(Oc2nc3ccccc3c3ccccc23)cc2c1nc(C)n2C,0.24, 0.1152108786962832),17093,TRUE
CC(/C=C/C=O)N(C(=O)[C@@H](CC(C)(C)Oc1nc2ccccc2c2ccccc12)NCC[C@H](N)C=O)c1oc2cccc(O)c2c(=O)c1O,0.24, 0.07428256130161846),17100,TRUE
CN(C)C(=O)/C=C/C(N)(Cc1cc2c(cc1C=O)OCO2)c1ccc2c(ccn2C(=O)Cc2ccccc2N)c1,0.24, 0.19880734423097796),17114,TRUE
CC(N)(/C=C/C(=O)N[C@H](C(=O)Oc1nc2ccccc2c2ccccc12)[C@@H](O)Cc1cccc(Cl)c1Cl)C1CCC1,0.24, 0.12938058295628996),17121,TRUE
CN(C)C(=O)/C=C/C(N)(c1cncc(Br)c1)C(NS(=O)(=O)c1ccc(N)cc1)C1CC1,0.24, 0.3692880735286941),17135,TRUE
CC(/C=C/C=O)(NCCC(=O)O)[C@@H]1C[C@H]2CCCC[C@@H]2C(Oc2ccc(-c3cncs3)cc2-c2nc3ccccc3c3ccccc23)N1,0.24, 0.0753301585130013),17142,TRUE
CC(/C=C/C=O)(NC(C=O)[C@H]1C(c2cc(O)c3c(=O)ccoc3c2)N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1,0.24, 0.05960222122792584),17149,TRUE
C[C@H](N)C(=O)C(=O)Oc1cnc(Oc2nc3ccc(C4CC4)cc3c3ccccc23)c(Br)c1,0.24, 0.22208851145324504),17156,TRUE
O=CC(=O)[C@H](Cc1cccc(Cl)c1-c1cscn1)NCc1ccccc1-n1cc2c(c1)C(=O)C=CC2=O,0.24, 0.2500569003637086),17163,TRUE
CC(/C=C/C=O)N(CC=O)[C@H](C=O)CCCCN(C(=O)CCc1ccc(Cl)cc1)C(=O)c1cccs1,0.24, 0.18153583963633088),17170,TRUE
CC1(C)[C@H]2CN[C@H](C[C@H](Nc3ccc(/C=C/C=O)cc3)C(=O)C(=O)Oc3nc4ccccc4c4ccccc34)[C@H]21,0.24, 0.10048172403731302),17177,TRUE
[H]N(Cc1cscn1)[C@@H](C[C@H]1COC(=O)C1C)C(=O)C=O,0.24, 0.44962083245552004),17184,TRUE
CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1cnc(CCC(C(=O)O)C2CC3CCCCC3CN2)s1)C(=O)C=O,0.24, 0.2279945695271986),17191,TRUE
CC(C)COC(=O)CC[C@H](NC(=O)C(=O)[C@@H](N)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)C(F)(F)F,0.24, 0.281641152517818),17198,TRUE
CC(/C=C/C=O)(NC(C=O)CC(C(=O)O)c1cc(=O)c2c(O)cc(O)cc2o1)N[C@H](C=O)CCCCN,0.24, 0.07855336995128254),17205,TRUE
CC(C)[C@@H](C=O)c1ncc(Br)cc1OC(N)(/C=C/C=O)Cc1cc(O)c2c(=O)ccoc2c1,0.24, 0.25092876976654604),17212,TRUE
C[C@@H](C=O)N[C@@H](Cc1cc(O)ccc1O)C(=O)C=O,0.24, 0.3627318936637202),17226,TRUE
Cc1c(O)cccc1C(C(=O)N(C(C)/C=C/C=O)C(c1ccc2[nH]c(C=O)cc2c1)[C@@H](O)[C@H](C)N)C(C)C,0.24, 0.22183897812177364),17233,TRUE
CC(C)COC(CN[C@@H](C)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H](C=O)NC(=O)CC(C)C,0.24, 0.26598772977427326),17240,TRUE
CC[C@H](N)C(=O)N(C(=O)[C@H](C)CC(=O)[C@@H](N)C(C)C)[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.2082906279580479),17254,TRUE
[H]Oc1c(-c2ccc(Cl)c(Cl)c2C[C@H](N)C(=O)C=O)ccc2[nH]c(C=O)cc12,0.24, 0.43030973083148466),17261,TRUE
[H]N[C@@H](Cc1cc(-c2cc(B(O)O)cc([N+](=O)[O-])c2)ccc1-c1cc(O)c(O)c(O)c1)C(=O)C=O,0.24, 0.06715254357717892),17268,TRUE
NC(/C=C/C=O)Cc1ccc(Br)c(Oc2nc3ccccc3c3c(Cc4ccc5c(c4)OCO5)cccc23)c1,0.24, 0.12216290850312878),17275,TRUE
[H]C[C@H](N)C(=O)C(=O)N1C[C@H]2CC([H])C[C@H]2C1,0.24, 0.660346786701244),17282,TRUE
Cc1cc(O)ccc1-c1c(C([C@H](N)C(=O)C=O)N2CCNCC2)ccc2[nH]c(C=O)c(NC(C=O)CCC(=O)O)c12,0.24, 0.13040333898307588),17289,TRUE
CC(C)Oc1cc(N)c(-c2ccc(CC(=O)[C@H](CCC=O)NC(=O)C(=O)[C@H](C)N)cc2)c(-c2cccs2)c1,0.24, 0.17093016780696565),17303,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccc(-c3ccccc3Cl)cc2c2c(-c3ccc(Cl)cc3Cl)cccc12,0.24, 0.13936988173077175),17317,TRUE
CC1(C)[C@H]2CN(C(=O)/C=C/C(C)(N)N(c3ccc(C=O)o3)[C@H]3c4cc(Nc5ccc(C(=N)N)cc5)ccc4C[C@H]3O)C[C@H]21,0.24, 0.0833489748066544),17324,TRUE
C[C@H](N)C(=O)C(=O)Nc1ccc(Cl)cc1-c1cc(Cl)ccc1CN1C(=O)C(=O)c2cc(C#N)ccc21,0.24, 0.46924333262097345),17338,TRUE
CNC(C)(N)/C=C/C(=O)Oc1nc2c(C(=O)N(CCC(N)=O)NC(=O)[C@H](C)N)c(-c3ccccc3N)ccc2c2cc(CCCC(=O)O)ccc12,0.24, 0.024944904402941632),17345,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2CN1C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)C=O,0.24, 0.44735764002916834),17352,TRUE
Cn1ccc(-c2cc(O)c3c(=O)c(O)c(CC(N)/C=C/C(=O)N[C@@H](CCC=O)C(=O)C(F)(F)F)oc3c2)n1,0.24, 0.22139938295901382),17359,TRUE
CCC(C)(C)NC(C)(/C=C/C(=O)N[C@H](C=O)C(CCC(N)=O)N[C@H](C=O)CC(N)=O)NC(=O)C(C)C,0.24, 0.07772907953176394),17366,TRUE
CCC[C@H](N)C(=O)C(=O)N(c1ccccc1Cl)[C@@H]1C[C@H]1C(C)(/C=C/C=O)N(Cc1oc(=O)oc1C)C(=O)[C@H](N)CO,0.24, 0.16486602111201348),17373,TRUE
C[C@H](NCC[C@H](NC(=O)CC[C@H](N)C=O)C(=O)O)C(=O)C(=O)N(C(=O)C[C@@H](C)N)C1CCCC1,0.24, 0.1395079588594672),17380,TRUE
C#CC(c1cc(B(O)O)cc([N+](=O)[O-])c1)[C@@H](C=O)NC(C)(N)/C=C/C(=O)Nc1cc(Cl)cc(Cl)c1,0.24, 0.0596241981654418),17387,TRUE
N[C@@H](Cc1c(C[C@@H](N)C(C=O)Oc2ccc(O)cc2)cc(C=O)o1)C(=O)C=O,0.24, 0.3535961859935564),17394,TRUE
CCCC1=C(O)OC(C(Cc2c(F)c(F)cc(C[C@H](N)C(=O)C=O)c2F)[C@H](N)C(=O)O)CC1=O,0.24, 0.20408602624480693),17401,TRUE
COc1ccc2c(OC(=O)/C=C/C(C)N)nc3c(N4C[C@H]5CC(c6ccccc6)CC[C@@H]5C[C@H]4C)cccc3c2c1,0.24, 0.15845750041915085),17408,TRUE
[H]N[C@@H](Cc1cc(N2C[C@H]3CC(c4cccc5ccccc45)C[C@H]3C2)c(Cl)cc1Cl)C(=O)C=O,0.24, 0.37766515570277553),17415,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](CC(C)(C)Oc1nc2ccccc2c2ccccc12)C(=O)N[C@@H](CCC=O)C(=O)CF,0.24, 0.15622696590008117),17422,TRUE
C=C[C@@H]1C[C@]1(N)c1cccc2nc(OC(=O)/C=C/C(C)(NCc3ccc(Cl)cc3)c3cccc4cc[nH]c34)c3ccccc3c12,0.24, 0.06646917139583271),17429,TRUE
CNC(/C=C/C=O)(Cc1ccc([SH](=O)=O)nc1-c1c(-c2ccoc(=O)c2)ccc(O)c1N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)NCC=O,0.24, 0.03902985403777955),17436,TRUE
[H]Nc1c(Cl)cccc1CN[C@@H](C)C(=O)C=O,0.24, 0.46043923919181506),17443,TRUE
Cc1cc(O)ccc1-c1ccc2nc(OC(=O)C(=O)[C@H](C)N)c3ccc(OC(C)C)cc3c2c1,0.24, 0.24510965083395653),17450,TRUE
C[C@@H](CCC=O)NC(C)(N)/C=C/C(=O)N[C@H](C(=O)C(F)(F)F)C(CC(N)=O)Nc1ccc(-c2ccccc2)cc1,0.24, 0.12716531513726928),17457,TRUE
CC[C@@H](C=O)Nc1cc(-c2c(O)cc(NC)c(OC(C)(N)/C=C/C=O)c2-c2ccc3c(c2)nc(C)n3C)ccc1Cl,0.24, 0.09997814715215443),17464,TRUE
N[C@H](C(=O)C=O)C(Nc1ccccc1)c1sc2ccc(-c3ccc4[nH]c(C=O)cc4c3)cc2c1[C@H]1CN1,0.24, 0.12922532968270317),17471,TRUE
C[C@H](N)C(=O)C(=O)On1nnc2ccc(Cc3ccc4c(c3-c3cc(O)c5c(=O)ccoc5c3)OCO4)cc21,0.24, 0.24441116398238397),17478,TRUE
CC(C)c1cc(-c2ccccc2)cc(N)c1N(C(=O)C(=O)[C@H](C)N)C(=O)c1cc2ccccc2[nH]1,0.24, 0.281253454591475),17485,TRUE
[H]c1ccc(CC[C@H](N)C(=O)O)c2nnn(OC(=O)C(=O)[C@H](C)N)c12,0.24, 0.40950759396732),17492,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3ccn(C)n3)cccc12,0.24, 0.3347817716101378),17499,TRUE
Cc1cccc(OC(=O)/C=C/C(N)(Cc2oc3cc(O)c(Nc4ccccc4)c(O)c3c(=O)c2O)c2ccc(Br)cc2)c1,0.24, 0.05684995127405712),17506,TRUE
C[C@H]1O[C@@H](C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3c(C[C@@H](N)CC=O)cccc23)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.10835286837747),17513,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1c(C)ccc(NS(=O)(=O)C2(C)CC2)c1C,0.24, 0.5744312699467178),17527,TRUE
C[C@H](N)C(=O)c1ncc(NC(C)(/C=C/C=O)N2C[C@H]3[C@@H](C2)C3(C)Cc2nnc3n2CC(c2ccc(Cl)cc2Cl)NC3)s1,0.24, 0.17235451901180543),17534,TRUE
C[C@@H](O)[C@@H](C=O)NC1(c2ccn(C)c2)Cn2c(nnc2C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)CN1,0.24, 0.07773566179371283),17541,TRUE
CC(N)C(=O)NC(/C=C/C(=O)N1CCn2cnnc2C1)Cc1c(O)c(Cl)c(Oc2nc3ccccc3c3ccccc23)c(Cl)c1Cl,0.24, 0.11197520712389816),17548,TRUE
CC(C)CC(=O)N1CCN[C@H](C[C@H](N)C(=O)C=O)C1,0.24, 0.4920754976445053),17555,TRUE
[H]N(C(=O)C(=O)[C@H](C)N(CC)C(c1ccc(F)cc1)[C@@H](O)[C@H](C)N)[C@H](C=O)CCCC(N)=O,0.24, 0.23189882158626796),17562,TRUE
CC(C1C(=O)OC[C@@H]1C)[C@@H](C)[C@H](N)C(=O)N[C@@H](C=O)COC(=O)C(=O)[C@@H](N)Cc1ccc2[nH]ccc2c1,0.24, 0.1749926813366975),17569,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C(=O)Nc1cccc(C[C@H](N)C(=O)C=O)n1)C(CCC(N)=O)Oc1ccc(O)cc1,0.24, 0.11130835570508002),17576,TRUE
Cc1ccc(C(N)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)Cn2nncc2N2C[C@H]3[C@@H](C2)C3(C)C)cc1N[C@H](C=O)CO,0.24, 0.08186739135475682),17590,TRUE
CNC(C)(N)/C=C/C(=O)Nc1cc(Cl)cc(Cl)c1NS(=O)(=O)C1(C)CC1CCCC(=O)O,0.24, 0.2280375062031161),17597,TRUE
[H]C(c1ccc([H])c([H])c1[N+](=O)[O-])[C@H](N)C(=O)C=O,0.24, 0.33221695000120416),17604,TRUE
CC(N)(/C=C/C=O)[C@@H]1C[C@@H]2CC(Oc3nc4ccccc4c4ccccc34)CC[C@@H]2CN1C(=O)c1cc2c(O)cccc2[nH]1,0.24, 0.12474197285016664),17611,TRUE
CC(/C=C/C=O)N(C(=O)/C=C/c1ccccc1)C(=O)c1[nH]c2ccc(Cl)cc2c1Nc1cccc([C@@H]2C[C@H]3CCCC[C@@H]3CN2)c1,0.24, 0.12735222928785664),17618,TRUE
[H]Nc1c(O)ccc(OC(=O)C(=O)[C@H](CC2CCCC2)NC)c1C(F)F,0.24, 0.22815273631537927),17625,TRUE
CC[C@H](C)c1cccc2c(OC3CCC3CC(/C=C/C=O)NCc3ccccc3)nc3cccc(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)c3c12,0.24, 0.0578108868036587),17632,TRUE
CC(N)(/C=C/C=O)c1cc(=O)c2c(O)c(-c3c(C(=O)O)ccnc3-c3cccc(/C=C/C=O)c3)c(O)cc2o1,0.24, 0.1947935057689017),17639,TRUE
N#Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1C(NC(/C=C/C=O)Cc1ccc2[nH]cnc2c1)c1c[nH]c2ccccc12,0.24, 0.1044806408775938),17646,TRUE
CCCC1=C(O)OC(C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)(C(C2CC2)[C@H](N)C(=O)C=O)CC1=O,0.24, 0.1222196573096401),17653,TRUE
N[C@H](C(=O)C=O)C(c1ccccc1/C=C/C=O)c1ccc(F)cc1OCC=O,0.24, 0.3814616754556674),17660,TRUE
CC(C)(C)[C@H](Nc1coc(C(=O)N2C[C@@H]2C[C@H](N)C(=O)C=O)c1)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.10624297831340931),17667,TRUE
CN(C)C(=O)/C=C/C(C[C@@H]1C[C@H]2CC(c3ccc4c(c3)OCO4)CC[C@@H]2CN1)NC(=O)c1ccc2ccccc2n1,0.24, 0.4130480373869739),17674,TRUE
CC(=O)[C@H](C)NC(Oc1nc2ccccc2c2ccccc12)(C1CC1)[C@H](NC(=O)CC[C@H](C)N)C(=O)C=O,0.24, 0.1357969628175692),17681,TRUE
CC(C)OC(C=O)NC(C)(/C=C/C=O)OC(C)(C)Cc1cc(-c2ccc(S(N)(=O)=O)nc2)cc(=O)o1,0.24, 0.22474835812932095),17688,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(-c3cccc4cc[nH]c34)c(-c3nc(S)[nH]c(=O)c3C#N)cc12,0.24, 0.05439122058218362),17695,TRUE
[H]C(F)(F)C(=O)c1oc(C[C@H](N)C(=O)C=O)cc1-c1ccc([H])cc1[N+](=O)[O-],0.24, 0.24799530194180366),17702,TRUE
CC(=O)C(=O)C(Nc1cnc(C(=O)[C@H](C)NC(=O)/C=C/C(C)(N)Oc2nc3ccccc3c3ccccc23)s1)[C@@H](C)O,0.24, 0.063180959743265),17709,TRUE
CC(/C=C/C(=O)N[C@H](C=O)CCCCN)(NCc1cccc(C#N)c1)Oc1nc2ccccc2c2ccccc12,0.24, 0.07547053559917688),17723,TRUE
CC(=O)n1ccc2cc(-c3ncc(Cn4nccc4CC(N)/C=C/C(=O)N[C@@H](C)C(=O)C=O)s3)ccc21,0.24, 0.18642440731006835),17737,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3cccc(Nc4ccc(N)cc4)c3)cccc12,0.24, 0.13325057760908426),17744,TRUE
NC(/C=C/C=O)Cc1oc2cc(O)c(-c3ccc(O)c(O)c3-c3cccc4[nH]c(C=O)cc34)c(O)c2c(=O)c1O,0.24, 0.09031748306283603),17751,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1sc(SC)c([H])c1C,0.24, 0.4824715475157693),17758,TRUE
Nc1cc(-c2c(O)c(Cl)cc(Cl)c2Cl)c(-c2cccs2)c2c1nc(OC(=O)C(=O)[C@@H](N)Cc1ccno1)c1ccccc12,0.24, 0.05396380942603851),17765,TRUE
CC[C@@H](C)[C@H](Nc1cccc2c1nc(OC(=O)/C=C/C(C)N)c1ccccc12)C(=O)N[C@@H](CCC=O)C(=O)CF,0.24, 0.11830561236260519),17772,TRUE
[H]NC(c1c([H])c(-c2c(F)cc(F)cc2F)c(O)c(Cl)c1Cl)[C@H](N)C(=O)C=O,0.24, 0.5222438999637498),17779,TRUE
[H]c1c(C([C@H](N)C(=O)C=O)[C@H]2NC[C@@H]3CCC[C@H]23)cc(N[C@H](C=O)[C@@H](C)O)cc1[N+](=O)[O-],0.24, 0.17844430134414024),17786,TRUE
Cc1c(O)cccc1C1OCC[C@@H]1OC(=O)C(=O)[C@@H](N)C[C@@H]1CC2CCCCC2CN1,0.24, 0.469704655048338),17793,TRUE
CCOC(=O)/C=C/C(C)(N)C1CCC(c2cc(CO)c(Cl)c(Oc3nc4ccccc4c4ccccc34)c2)C1,0.24, 0.14016558995436887),17800,TRUE
[H]N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1c(C(=O)NCCCC[C@@H](C=O)NC(=O)C(=O)[C@H](C)N)[nH]c2ccc(F)cc12,0.24, 0.04764512264532798),17807,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3cc4nc[nH]c4cc3-c3ccc(Cl)cc3Cl)cccc12,0.24, 0.13873113163973172),17814,TRUE
Cc1cc(Nc2cc(Cl)cc(Cl)c2)cc2c(OC(=O)C(=O)[C@H](C)N)ccnc12,0.24, 0.47083954892895596),17821,TRUE
[H]c1ccc2nc(OC(=O)[C@@H](NC(=O)C(=O)[C@H](C)N)C(C#C)[C@@H]3CCCN3)c3ccccc3c2c1,0.24, 0.2130724583559023),17828,TRUE
CCCC1=C(O)OC(c2cnnn2CC(/C=C/C=O)(NC)N(CC=O)C(=O)c2ccc(Cl)o2)CC1=O,0.24, 0.2416136557566629),17835,TRUE
C[C@H]1O[C@H](C(C)(N)/C=C/C=O)C[C@H]2CC(N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)(c3ccc(Cl)cc3Cl)CC[C@@H]21,0.24, 0.26942596450263695),17849,TRUE
CC(/C=C/C=O)NC(=O)C(c1ccc(Cl)cc1Cl)C(C)Cc1ccc2c(c1-c1cnc(C(=O)[C@H](C)N)s1)OCO2,0.24, 0.16663264281065954),17856,TRUE
C[C@H](N)C(=O)C(=O)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](CCC=O)C(=O)CN1CCCNC1=O,0.24, 0.13248887659464229),17863,TRUE
CNc1cccc2c1nc(C(C)(/C=C/C=O)NCc1ccccc1CC=O)c1cc(C[C@H](N)C(=O)C=O)ccc12,0.24, 0.10230810226772943),17870,TRUE
C[C@H](NCc1cn(C)cc1Oc1nc2c(NC(C)(C)C)cccc2c2cc(CN3C(=O)C(=O)c4cc(C#N)ccc43)ccc12)C(=O)C=O,0.24, 0.11328917670980876),17877,TRUE
Cc1cccc(C)c1CC(OCC(C)C)[C@@H](C=O)N(C(=O)/C=C/c1ccc(Cl)cc1F)c1sc(CC(N)/C=C/C=O)nc1C,0.24, 0.15286188321514102),17884,TRUE
CNc1ccc(C(O)[C@@H](C=O)N(CCC(=O)O)C(C)(/C=C/C=O)NC(=O)C(Cl)=C(Cl)Cl)cc1,0.24, 0.1769867589516232),17891,TRUE
[H]N[C@@H](CC1([H])C(=O)OC[C@@H]1[H])C(=O)C=O,0.24, 0.34588061532193143),17905,TRUE
CC(C)C[C@H](NC(CCC(=O)O)c1ccc2nc(Oc3cc4cc(C[C@H](N)C(=O)C=O)ccc4[nH]3)c3ccccc3c2c1)B(O)O,0.24, 0.04260190444402553),17912,TRUE
NC(/C=C/C=O)(c1cc(F)c(F)cc1F)C(N[C@H](C=O)CC(C=O)n1cc2c(c1)C(=O)C=CC2=O)c1ccc(/C=C/C=O)cc1,0.24, 0.15835106557893766),17919,TRUE
C[C@H](NC1CC2CCC(Sc3ncccn3)CC2(c2ccc(O)c(O)c2NC=O)CN1)C(=O)C=O,0.24, 0.14910991444110364),17926,TRUE
[H]Oc1ccc([H])c2c1nc(CC[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)O)c1ccccc12,0.24, 0.35068873817148133),17933,TRUE
CC(N)(/C=C/C=O)c1cc(Oc2nc3ccccc3c3cccc(Nc4ccc(C(=N)N)cc4)c23)ccc1[N+](=O)[O-],0.24, 0.032929631092645975),17940,TRUE
CC(C)(C)Nc1c(O)ccc(OC(=O)C(=O)[C@@H](N)Cc2c(F)cc(F)cc2F)c1-c1c(O)c(Cl)cc(Cl)c1Cl,0.24, 0.0808643218864289),17947,TRUE
Cc1ccc(-c2ccc(O)c(C)c2C(C)(N)/C=C/C=O)cc1-c1cc(C#N)ccc1Nc1ccc(-c2ccccc2)cc1,0.24, 0.12973740409768514),17954,TRUE
[H]C(=O)[C@H](CC)NC(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C,0.24, 0.39263175567756353),17961,TRUE
[H]C(=O)C(=O)[C@@H](N)C([H])c1ccc(S(=O)(=O)NC([H])Oc2c(C)cccc2C)nc1,0.24, 0.3647369431263588),17968,TRUE
N[C@H](C(=O)C=O)C(c1cccnc1)c1cccs1,0.24, 0.6506539157155345),17975,TRUE
NC(=O)C[C@@H](C=O)Nc1ccccc1C(C1CCCCC1)[C@H](N)C(=O)C(=O)Nc1ccccc1Cl,0.24, 0.2758313737550769),17982,TRUE
Cc1nc(CC(N)/C=C/C(=O)N[C@@H](C)C(=O)NN(C=O)CCC(N)=O)c(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)s1,0.24, 0.0728722389806468),17996,TRUE
N[C@@H](CC1CC1)C(=O)C=O,0.24, 0.43836800857664027),18003,TRUE
N[C@H](C(=O)C(=O)Oc1cnccc1N[C@H](C=O)CO)C(Nc1ccccc1)c1ccc(F)cc1,0.24, 0.18902296547733416),18010,TRUE
CC(c1cc2ccc(-c3cc(B(O)O)cc([N+](=O)[O-])c3)c(C(C3CC3)[C@H](N)C(=O)C=O)c2[nH]1)c1ccccc1F,0.24, 0.07851896921698169),18031,TRUE
C[C@@H](C=O)NC1CCCC(NC(=O)C(=O)[C@H](C)N)C1CS(=O)C1=[SH]c2ncccc2N1,0.24, 0.15453136730314915),18038,TRUE
CC(C)NC(/C=C/C=O)Cc1cc(-c2ccno2)ccc1-c1nc2cn(C)cc(Oc3cccnc3)c-2n1,0.24, 0.20522053289053624),18045,TRUE
N[C@@H](Cc1cc(=O)c2c(O)cc(O)cc2o1)C(=O)C(=O)N(c1ccc(Cl)cc1)[C@H]1c2ccccc2C[C@H]1O,0.24, 0.2751883610522913),18052,TRUE
CCC(=O)Nc1ccc(C(C)(N)/C=C/C(=O)N2CCNCC2)c(-c2nc(C)sc2-c2ccc(/C=C/C=O)cc2)c1,0.24, 0.26333093589885315),18059,TRUE
CCCNC(C)CCN(C(=O)c1[nH]c2ccc(F)cc2c1OC(C)C)C(C)/C=C/C(=O)N[C@@H](C)C(C)=O,0.24, 0.3240109367203148),18066,TRUE
CC(N)(/C=C/C=O)NC(NC(=O)Oc1nc2ccccc2c2ccccc12)(C1CCCC1)n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.0910024497904865),18073,TRUE
C[C@H](N)C(=O)C(=O)OCC(=O)Oc1cccc(C(C)(C)C)c1,0.24, 0.500958877576867),18080,TRUE
C[C@@H](C=O)Nc1coc(/C=C(/C=O)NC(c2cc(O)ccc2-c2ccccc2)[C@H](N)C(=O)C=O)c1,0.24, 0.17591207159558617),18087,TRUE
CC1(S(=O)(=O)N(C(=O)/C=C/C(N)(Cc2ccccc2)c2nc3cc[nH]cc-3n2)c2cccc(C#N)c2)CC1,0.24, 0.3332628315660695),18094,TRUE
Cc1csc(N(CC=O)C(=O)CCC[C@@H](C=O)N(C(=O)C(=O)[C@@H](N)Cc2cccs2)c2ccc(O)c(Cl)c2Cl)n1,0.24, 0.2018843148452802),18108,TRUE
CC(N)(/C=C/C(=O)Oc1cccnc1)Oc1nc2ccccc2c2c(C[C@H](N)C(=O)C(F)(F)F)cccc12,0.24, 0.15312429266858657),18115,TRUE
CNC(=O)CC[C@H](C)NC(C)(N)/C=C/C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1C[C@H](N)C(=O)NN(C=O)CCC(N)=O,0.24, 0.03845249967577762),18122,TRUE
Cc1ccccc1C[C@H](N)C(=O)C=O,0.24, 0.5606732915779042),18129,TRUE
CC(N)(/C=C/C(=O)Nc1ccccc1Cl)c1cc2ccc(-c3nc(S)[nH]c(=O)c3C#N)cc2s1,0.24, 0.17473305323115002),18143,TRUE
[H]C(=O)C(=O)[C@H](C)NCc1ccc(Cl)c([H])c1,0.24, 0.6115630289945464),18150,TRUE
CSc1cc(C)c(C(NCC=O)[C@H](NCc2ccccc2)C(=O)C(N)=O)s1,0.24, 0.2994744011742731),18157,TRUE
[H]NC(C)(Nc1ccc(Cl)cc1NC(C)C=O)[C@H](N)C(=O)N[C@@H](C)C(=O)C=O,0.24, 0.21001775094641978),18164,TRUE
[H]OC(C)C[C@@H](C(=O)C=O)N(c1cccc2[nH]c(C=O)cc12)C(C)(N)/C=C/C=O,0.24, 0.24146908931555014),18171,TRUE
Cc1ccc(-c2ccc(Cl)c(Nc3nc4ccccc4[nH]3)c2Cl)c(C)c1-c1cc(O)ccc1OC(=O)C(=O)[C@H](C)N,0.24, 0.09058173422590057),18178,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1ccc(O)cc1NC(C)(C)CC,0.24, 0.4200221418421247),18185,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)NC(N)(/C=C/C=O)C(c1c[nH]c2cccc(-c3cc4ccccc4s3)c12)n1ccnn1,0.24, 0.08155265987706652),18192,TRUE
CCN[C@@H](C)C(=O)C(=O)OC[C@@H](N[C@@H]1C(c2ccnn2C)[C@H]1N)C(=O)Nc1cc(Cl)c(O[Na])c(Cl)c1,0.24, 0.17046281093491658),18199,TRUE
CC(=O)[C@@H](N)Cc1[nH]c2ccc(C(C)(N)/C=C/C(=O)N3CCn4cnnc4C3)cc2c1NCC(=O)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.27332831445544425),18206,TRUE
CCCC[C@H](N[C@H]1CN1C(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)N[C@@H](C)C(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O,0.24, 0.1693725536969612),18213,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(Sc3nccc(-c4ccc(/C=C/C=O)cc4)n3)cccc12,0.24, 0.07284044768420361),18227,TRUE
CNc1cccc2c(OC(=O)/C=C/C(C)(NCc3ccc(Cl)cc3)Nc3ccccc3)nc3ccccc3c12,0.24, 0.08025021733923114),18234,TRUE
Cc1ccc(N(C(=O)C(=O)[C@H](C)N)c2ccc([N+](=O)[O-])cc2Cl)cc1Oc1ccc(O)cc1,0.24, 0.29202578210008634),18241,TRUE
Cc1c(O)cccc1N1C[C@H]2CCCC[C@H]2C[C@H]1C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.1851857579654928),18248,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccccc2c2cccc(OC(C)(C)C(=O)NC(=O)c3ccc(Cl)o3)c12,0.24, 0.1490971804735496),18255,TRUE
N[C@H](C(=O)C(=O)NS(=O)(=O)C1CC1)C(c1ccccc1F)C1CC1C(=O)O,0.24, 0.5282402012549096),18262,TRUE
[H]N(c1nc2ccccc2[nH]1)c1cccc2c1c(OC(=O)C(=O)[C@H](C)NC(C)(C)C)nc1ccccc12,0.24, 0.17242319786057442),18269,TRUE
CC(=O)n1ccc2cc(-c3ccccc3C(NC(C)/C=C/C=O)Oc3nc4ccccc4c4ccccc34)ccc21,0.24, 0.09394414497707042),18276,TRUE
C[C@H]1O[C@H](NC(C)(/C=C/C=O)c2c(CC3CCOC3=O)noc2CC2CCCCC2)C[C@H]2CCCC[C@@H]21,0.24, 0.2689243245293889),18283,TRUE
C[C@H](NCc1cccc(Cl)c1)C(=O)C(=O)N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)Nc1c(Cl)cc(Cl)cc1[C@H]1CO1,0.24, 0.1995779080660563),18290,TRUE
C[C@H](NC(=O)C(Oc1nc2ccccc2c2c(N[C@@H](CCC=O)C(=O)C(F)(F)F)cccc12)[C@@H](C)N)C(=O)C=O,0.24, 0.16237730563737007),18297,TRUE
CC[C@@H](C=O)Nc1cc(NC(=O)C(=O)[C@H](C)N)c(Cl)cc1[N+](=O)[O-],0.24, 0.27669753336124714),18304,TRUE
CC(C)CN[C@@H](Cc1cccc(C#N)c1)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3ccc(O)cc3)cccc12,0.24, 0.13392304639889677),18311,TRUE
N[C@@H](Cc1cc(O)c(O)cc1C(CC=O)C1CCCC1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.09368793119644894),18318,TRUE
CCCC[C@@H](C=O)Nc1cc(C[C@H](N)C(=O)C(=O)O[Na])cc(-c2ccc(Oc3nc4ccccc4c4ccccc34)o2)c1N,0.24, 0.05333974603648997),18325,TRUE
Cc1ccc(C(C=O)NC(/C=C/C=O)(C[C@H]2NC(N[C@H](C=O)CCCC(N)=O)[C@@H]3CCC[C@H]23)OC[C@@H](N)C=O)nn1,0.24, 0.08105531327433878),18332,TRUE
CC(/C=C/C=O)(NCc1ccccc1)OC(C)(C)C(c1ccccc1N)N1Cc2nncn2CC1NC1CCCCC1,0.24, 0.12399190977599601),18339,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3ccc(Cl)cc3Cl)cc(-c3ccc(S(N)(=O)=O)nc3)cc12,0.24, 0.15970888567697847),18346,TRUE
CC1(C)[C@H]2C(c3ccccc3)N[C@H](CC(N)/C=C/C(=O)Oc3cnc(Oc4ccccc4)c(Cl)c3)[C@H]21,0.24, 0.30307367735429264),18353,TRUE
CCNC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1cccc2[nH]c(C=O)c(-c3oc4cccc(O)c4c(=O)c3O)c12,0.24, 0.060451418518811625),18360,TRUE
CC(N)(/C=C/C=O)c1oc(=O)c(Nc2ccc(N)cc2)cc1CN1C(=O)C(=O)c2cc(C#N)cc(NC3CCCCC3)c21,0.24, 0.12346957893707773),18367,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccccc1OCC(C)C,0.24, 0.5848693590014499),18374,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C=O)CC(O)(C=O)C1CC2(c3cccc4[nH]c(C=O)cc34)CCCCC2CN1,0.24, 0.22943073918046583),18381,TRUE
C[C@H](NCc1ccc(N(C(=O)c2cc3ccccc3[nH]2)c2ccccc2)c(Cl)c1-c1cccc([N+](=O)[O-])c1)C(=O)C=O,0.24, 0.08271018587366474),18388,TRUE
CC(=O)Nc1cn(C)cc2nc(-c3cc(C(N)(/C=C/C=O)C[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)ccc3O)nc1-2,0.24, 0.18594100413251502),18395,TRUE
C[C@H](NCC[C@@H](N)Cc1c(O)c(Cl)cc(Cl)c1Cl)C(=O)C(=O)N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)N,0.24, 0.1583012525703265),18402,TRUE
CC(c1cccc(C(F)(F)F)n1)C(C)(C)N(Cc1cccc(C#N)c1)C(C)(/C=C/C=O)NC(=O)/C=C/c1ccccc1,0.24, 0.1573323412094315),18409,TRUE
CCCC1=C(O)OC(c2cc3c(C(=O)O)cc(Oc4c(C)cccc4C)c(C(C)(N)/C=C/C=O)c3[nH]2)CC1=O,0.24, 0.19914285165445061),18423,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccc(-c3ccco3)cc2c2c(-n3cc4c(c3)C(=O)C=CC4=O)cccc12,0.24, 0.21340133457268345),18430,TRUE
CCCC[C@@H](C=O)NC(=O)/C=C/C(C)N(Cc1cnc(-c2cccc(Cl)c2)c(C(=O)O)c1)C(=O)C(N)CCC(=O)O,0.24, 0.1691237126554869),18437,TRUE
C[C@H](N)[C@H](O)CNC(C)(/C=C/C=O)c1nnc(S)n1-c1ccccc1Cc1cc([C@H]2CO2)ccc1OC(C)(C)C,0.24, 0.11341331634059369),18444,TRUE
C[C@H](Nc1ccc2c(OC3CN(C(C)(N)/C=C/C=O)CC(Oc4ccc(O)cc4)O3)nc3ccccc3c2c1)[C@@H](C)O,0.24, 0.12450791585955162),18451,TRUE
N[C@@H](Cc1oc2c(N[C@H]3c4ccccc4C[C@H]3O)c(O)c(C[C@@H](N)CC=O)c(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.08077997700234672),18458,TRUE
N#Cc1cnc(Sc2c(Cl)cc(C[C@@H](N)CC=O)c(C[C@H](N)C(=O)C=O)c2Cl)[nH]c1=O,0.24, 0.2554129211767376),18465,TRUE
CC(C)(C)C1CCC[C@@H]2CN(C(=O)C(=O)[C@@H](N)Cc3cc(O)c(O)c(O)c3CO)C(c3ccccc3O)C[C@H]12,0.24, 0.23936167944148465),18472,TRUE
N=C(N)c1ccc(Nc2cc(C3CCC(C(c4cc5ccccc5s4)([C@@H]4CCCN4)[C@H](N)C(=O)C=O)C3)ccc2Cl)cc1,0.24, 0.06209493234998355),18479,TRUE
CC[C@@H](N)Cc1c(C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)cccc1-c1nc(C)cs1,0.24, 0.15130727170772865),18486,TRUE
CCC(NC(=O)/C=C/C(N)Cc1oc2c(N[C@@H](C)C(=O)C(F)(F)F)c(O)cc(O)c2c(=O)c1O)NS(=O)(=O)C1CC1,0.24, 0.07871140595991814),18493,TRUE
C=C(CC)C(=O)c1c(F)c(F)c(-c2csc(C)n2)c(C(C)(N)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)c1F,0.24, 0.06433659895576722),18500,TRUE
[H]C(=O)C[C@H](N[C@@H](CC)C(=O)O)C(=O)N[C@@H](C)C(=O)C(=O)NC(=O)Cc1c[nH]c2ccccc12,0.24, 0.21528239946513794),18507,TRUE
CC(=O)[C@H](Cc1cc(CCC=O)c(C)c(OC(=O)/C=C/C(C)N[C@H](C=O)CCCCN)c1C)NCC(C)C,0.24, 0.08188237850270702),18514,TRUE
[H]c1c(C[C@H](N)C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)ccc2c1nc(C)n2C,0.24, 0.84252335502342),18521,TRUE
CC1C(=O)OC[C@@H]1Cc1cc(Oc2nc3ccccc3c3ccccc23)cc(C(C)(/C=C/C=O)N[C@@H]2C[C@H]3CCCC[C@@H]3[C@@H](C)O2)c1[N+](=O)[O-],0.24, 0.04439468080286012),18528,TRUE
CC1(C)[C@H]2CN(C(=O)C(=O)[C@@H](N)C(N)c3ccc(C(=O)O)s3)C[C@H]21,0.24, 0.6614227974763287),18535,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)NC(C=O)C(CC(=O)O)(NC1CCCC1)Oc1ccccc1,0.24, 0.057193783410033436),18549,TRUE
COC(=O)/C=C/C(C)(NC(=O)C(C(C)C)N(c1cccnc1)[C@@H](C=O)CO)c1occ(C[C@H](N)[C@@H](C)O)c1C(=O)O,0.24, 0.11363368656211131),18556,TRUE
N#Cc1c(-c2scnc2-c2cccc(N=Cc3nc(CC(N)/C=C/C=O)oc3O)c2)nc(S)[nH]c1=O,0.24, 0.08930172619869176),18563,TRUE
[H]c1c2c(cn1-c1cccc3c(OC(=O)C(=O)[C@H](C)N)nc4ccccc4c13)C(=O)C=CC2=O,0.24, 0.29472405857727085),18570,TRUE
CC(N)(/C=C/C=O)c1ccc(C[C@H](N)C(=O)c2nc(Sc3ccccc3Oc3nc4ccccc4c4ccccc34)cs2)cc1N,0.24, 0.04431330040127715),18577,TRUE
C[C@H](OC(C)(N)/C=C/C=O)[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)Oc1nc2ccccc2c2cccc(C[C@@H](N)CC=O)c12,0.24, 0.05959425696356259),18584,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2c(-c3ccc4[nH]c(C=O)c(CN5C(=O)C(=O)c6cc(F)ccc65)c4c3)cccc12,0.24, 0.07393145771612218),18591,TRUE
CC(C)NC(/C=C/C=O)Cc1oc2c(Oc3nc4ccccc4c4ccccc34)c(O)cc(O)c2c(=O)c1O,0.24, 0.12382916223198834),18598,TRUE
C[C@@H](CC(C=O)NC(C)(Oc1nc2ccccc2c2ccccc12)C(=O)C(F)(F)F)NC(=O)C(=O)[C@H](C)N,0.24, 0.14818608176435122),18605,TRUE
Cc1cccc(C)c1Oc1cccc(-n2c(S)nnc2C[C@H](N)C(=O)C(N)=O)c1-c1ccccc1Cl,0.24, 0.23537756855554304),18612,TRUE
Cc1noc(Nc2c(C=O)oc(C[C@H](N[C@@H]3C[C@@H]4CCCC[C@@H]4CN3)C(=O)C=O)c2C[C@@H](N)CC=O)c1[N+](=O)[O-],0.24, 0.11294929817544175),18619,TRUE
C[C@@H](NS(=O)(=O)c1ncc(CC(N)/C=C/C=O)cc1-c1nc(C=Nc2ccccc2)c(O)o1)[C@H](N)C=O,0.24, 0.14967744383123097),18626,TRUE
CC(N)/C=C/C(=O)OC(C)(C)C(=O)N(C(=O)c1nc2ccccc2[nH]1)c1ccc(-c2ccc(N)cc2)cn1,0.24, 0.19249122877644995),18633,TRUE
[H]C(=O)C(=O)[C@@H](N)C([H])c1ccccc1,0.24, 0.5320470866249444),18647,TRUE
C#CC[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)OC(Nc1cc(Oc2nc3ccccc3c3ccccc23)c([N+](=O)[O-])cc1Cl)[C@@H](N)C=O,0.24, 0.024070511026645286),18654,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2ccc(N/C(C=O)=C\c3ccc(-c4ccc5cc[nH]c5c4)o3)cc12,0.24, 0.08578484358421623),18675,TRUE
[H]c1cc(O)c2cc(-c3ccc(Br)cc3C(F)F)c(C[C@H](N)C(=O)C=O)c(C)c2n1,0.24, 0.4212837099301895),18682,TRUE
CNc1ccc2c(nc(OC(=O)/C=C/C(C)N)c3cc(-c4cccc(=O)o4)ccc32)c1N[C@@H](C)[C@@H](C)O,0.24, 0.15960521416968804),18696,TRUE
CC(O)[C@@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)C(=O)Nc1c(-c2ccoc(=O)c2)cccc1C(F)F,0.24, 0.4106177985595611),18703,TRUE
Cc1cc(C(=O)N(C(C)C=O)C(C=O)N(Cc2cc(C#N)cc(CCC(C)NCC=O)c2)C(C)/C=C/C=O)no1,0.24, 0.17635388148857095),18717,TRUE
Cc1nc(-c2nc(-c3cc(-c4nnc(S)n4-c4ccccc4)ccc3NC(=O)C(=O)[C@H](C)N)cs2)cs1,0.24, 0.2000851656394931),18724,TRUE
C=C[C@@H]1C[C@]1(N)c1ccc(Oc2nc3ccccc3c3ccccc23)nc1NC(C)(C)COc1sc(CC(N)/C=C/C(=O)O[Na])nc1C,0.24, 0.05869603657552725),18731,TRUE
Cc1cnc(C(=O)N(C(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)(Nc2ccc(Cl)cc2)OC(C)(C)C)C(C)/C=C/C=O)cn1,0.24, 0.17193622759908725),18738,TRUE
C[C@H](NCc1ccc(Cl)cc1CC=O)C(=O)C=O,0.24, 0.5979446921601387),18745,TRUE
CC(=O)c1ccc(-c2ccc3c(c2)nc(OC(=O)/C=C/C(C)N)c2cccc(Oc4ccc(O)cc4)c23)o1,0.24, 0.1159302174516369),18752,TRUE
CC(N)(/C=C/C(=O)N/C(C=O)=C\c1cc(Oc2nc3ccccc3c3ccccc23)co1)Nc1ccc(N)cc1,0.24, 0.06517318302900536),18759,TRUE
CCCCNC(C)(/C=C/C=O)c1c(-c2nc3cn(C)cc(-n4cc5c(c4)C(=O)C=CC5=O)c-3n2)cc(F)c(CCC)c1Cl,0.24, 0.1210207235730981),18766,TRUE
CC(C)(C)OC([C@H]1CO1)C(N)(/C=C/C=O)Oc1nc2ccccc2c2cc(NC(C=O)NS(=O)(=O)c3ccc(N)cc3)ccc12,0.24, 0.04224606274120184),18773,TRUE
CNc1c(F)c(F)cc(C(C)(/C=C/C=O)NCC(C)(Cc2cc(N)ccc2-c2ccc(F)cc2)Oc2nc3ccccc3c3ccccc23)c1F,0.24, 0.029668692011013603),18780,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2c(N(C(=O)CC(C)C)c3nc4ccccc4[nH]3)cccc12,0.24, 0.1638592393514943),18787,TRUE
C=C[C@@H]1C[C@]1(N)c1ccc2c(c1)c(OC(=O)C(=O)[C@H](C)N)nc1c(OC(C)C)cccc12,0.24, 0.2538417478539054),18794,TRUE
CC[C@H](N)C(=O)N(C(=O)C(=O)[C@H](C)N)[C@H](C=O)[C@H](C)C(O)Cc1c[nH]c2ccccc12,0.24, 0.31106319517275854),18801,TRUE
[H]C(N[C@@H](C)C(=O)C(=O)OC(C)Nc1ccccc1)c1ccccc1,0.24, 0.44345625365595615),18808,TRUE
NCC(=O)N(C(=O)C(=O)[C@@H](N)Cc1ccno1)c1c(Cl)cc([N+](=O)[O-])cc1-c1c[nH]c2ccccc12,0.24, 0.18108137197240776),18815,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2cccc(Cc3ccc4c(c3)OCO4)c12)NCc1ccc([N+](=O)[O-])cc1,0.24, 0.07382574244406052),18822,TRUE
C[C@H](NC1(N)CC1)C(=O)NC(C)(/C=C/C=O)Sc1ncc(-c2nc3ccccc3c3ccccc23)cn1,0.24, 0.07693646236371503),18829,TRUE
Cc1csc(C(c2ccc(/C=C/C=O)cc2)C(N)(N)C(=O)C=O)n1,0.24, 0.3373807464920593),18843,TRUE
C[C@H](N)C(=O)C(=O)NC1(c2ccccc2)CCCC([C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)C1,0.24, 0.4212812189352216),18850,TRUE
Cc1nc(CC(/C=C/C(=O)Oc2c(C)cc(-c3c(C)noc3C)cc2C)NC[C@H]2O[C@H](C)C[C@H]3CCCC[C@H]23)cs1,0.24, 0.16667406638029103),18857,TRUE
CC(N)(/C=C/C=O)Sc1ccccc1N1C[C@H]2C(Oc3nc4ccccc4c4ccccc34)CC[C@H]2C1,0.24, 0.10511941082654608),18864,TRUE
Nc1ccc(N)c(C([C@H](N)C(=O)C=O)[C@H]2NCCNC2C2CCC2)c1,0.24, 0.2725642663472483),18871,TRUE
Cc1cc(O)ccc1C(N/C(C=O)=C\c1ccco1)[C@H](N)C(=O)C=O,0.24, 0.3747815154603797),18878,TRUE
C[C@@H](C=O)NC(=O)C(=O)[C@@H](N)C(N)c1c(Nc2ccccc2)ccc2ccccc12,0.24, 0.3365996529899299),18885,TRUE
C=C[C@@H]1C[C@]1(N)C(N)(/C=C/C=O)Cc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1,0.24, 0.10845661655636475),18892,TRUE
CC(C)CC(=O)N(c1c(Cl)cc(-c2c[nH]cn2)cc1C(=O)O)C(N)(/C=C/C=O)Cn1ccc2ncnc-2c1,0.24, 0.15754618088844025),18899,TRUE
[H]c1cc(O)cc([H])c1C[C@H](N)C(=O)C=O,0.24, 0.5218834151112075),18906,TRUE
C[C@H](N)C(=O)C(=O)N(C(=O)c1cc2ccccc2[nH]1)[C@H](C(=O)CF)C(CC(=O)O)Oc1nc2ccccc2c2ccccc12,0.24, 0.151705097488623),18913,TRUE
C[C@H]1O[C@@H](C2(CS(=O)C3=[SH]c4ncccc4N3)CCCC2C(C)(N)/C=C/C=O)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.13685741020980935),18920,TRUE
[H]C(c1cncc(Br)c1)(C1CCCC1)[C@H](N)C(=O)C=O,0.24, 0.6653601173370917),18927,TRUE
O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H](C[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C(=O)C(=O)Nc1ccccc1Cl,0.24, 0.34171641182780876),18934,TRUE
CC(N)(/C=C/C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc2ccccc2c2cc(NS(=O)(=O)C3CC3)ccc12,0.24, 0.2107674629249826),18941,TRUE
[H]C(c1cc(C(=O)O)c(C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)cn1)[C@H](N)C(=O)C=O,0.24, 0.11897320027412002),18948,TRUE
CCN[C@H](C(=O)C=O)C([C@H]1COC(=O)C1)N(C(=O)c1cc(C)on1)[C@H](C(=O)C[C@@H](C)C=O)C(C)C,0.24, 0.22573673765541713),18955,TRUE
N[C@@H](Cc1c(Cc2ccc3c(c2)OCO3)ncc(Br)c1C(=O)/C=C(\O)C(=O)O)C(=O)C=O,0.24, 0.1495035261287559),18969,TRUE
C[C@H](OC(C)(N)/C=C/C=O)[C@H](N)C(=O)NC1(n2c(N)nc3cc(N[C@H]4c5ccccc5C[C@H]4O)ccc32)CC1,0.24, 0.12739185099159814),18976,TRUE
C[C@@H](C=O)Nc1cc(N[C@@H](C)[C@@H](C)O)cc2c1c(OC(=O)/C=C/C(C)(N)c1ccc(C=O)s1)nc1ccccc12,0.24, 0.0881686923603232),18983,TRUE
[H]c1cc(C)c(C[C@H](N)C(=O)C(=O)O[C@H](C)[C@@H](C=O)NC(C)=O)c(C)c1,0.24, 0.39851043906016426),18990,TRUE
CC(C)(C)NC(C)(/C=C/C=O)c1ccc(C[C@H](N)C(=O)c2nccs2)c2[nH]c(-c3nc(C=Nc4ccccc4)c(O)o3)cc12,0.24, 0.06274798634296344),18997,TRUE
[H]C([C@H](N)C(=O)C(N)=O)[C@H]1NC[C@H]2CCCC[C@H]2C1c1ccc(N)cc1,0.24, 0.4665576770964329),19004,TRUE
C[C@H](NCc1cn(C[C@@H]2C[C@H]2N)cc1C(N)N1C(=O)C(=O)c2cc(F)ccc21)C(=O)C=O,0.24, 0.3780247616551126),19011,TRUE
CC[C@@H](C=O)NC(C)(/C=C/C=O)NC(=O)C(C)N[C@H]1c2c(cccc2-c2ccc(O)c(Cl)c2Cl)C[C@H]1O,0.24, 0.165395469492588),19018,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccc(N[C@H]3c4ccc(C(=O)/C=C(\O)C(=O)O)cc4C[C@H]3O)cc12,0.24, 0.0536549238655041),19025,TRUE
CNc1cc(C2CC2)cc(CCc2cccc3[nH]c(C=O)cc23)c1-n1c(S)nnc1C(C)(N)/C=C/C=O,0.24, 0.14074799934601592),19039,TRUE
[H]c1ccc2c(c1)nc(OC(N[C@@H](C)C(=O)C(=O)Oc1ocnc1C=Nc1ccccc1)c1cscn1)c1ccccc12,0.24, 0.07045086581634027),19046,TRUE
CC(C)CN[C@@H](CC1CCCC1)C(=O)C(=O)NC(=O)c1nc2ccc(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)cc2[nH]1,0.24, 0.23298511547069975),19060,TRUE
[H]N[C@@H](Cc1ncc(-c2cc(C#N)cc(-c3cccc4[nH]ccc34)c2[H])s1)C(=O)C=O,0.24, 0.3800569775005379),19074,TRUE
[H]OC(=O)C(=O)[C@@H](N)C[C@H]1COC(=O)C1C,0.24, 0.4677604710968556),19081,TRUE
[H]c1ccc(Cl)cc1-c1cc(C2CCC2)cc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c12,0.24, 0.23205693119784043),19088,TRUE
CC(C)[C@@H](C=O)Nc1ccc(-c2cc(O)cc(-c3ccnc(O)c3C[C@H](N)C(=O)C=O)c2)cc1-c1ccc(O)cc1,0.24, 0.13314820865807386),19095,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(-c3ccccc3)ccc2c2cc(C[C@H](N)C=O)ccc12,0.24, 0.19542628782140878),19102,TRUE
[H]c1ncccc1-c1c([H])c(C)c2nccc(C[C@H](N)C(=O)C=O)c2c1C1CC(=O)C(CCC)=C(O)O1,0.24, 0.3724199313013344),19109,TRUE
CC1CCN(C(=O)/C=C/C(C)(NC(=O)c2nc3ccccc3[nH]2)c2oc(C=O)cc2-c2ccc(CCC=O)s2)CC1,0.24, 0.1965563639545092),19116,TRUE
Cc1ccc(N[C@H](C=O)c2c(S(N)(=O)=O)ncc(CC(N)/C=C/C=O)c2On2nnc3ccccc32)cc1,0.24, 0.1881075417475629),19123,TRUE
N#Cc1cccc(CC(N)(/C=C/C(=O)O[C@H]2CCOC2Nc2ccc(N)cc2)Oc2cccc(Cl)c2Cl)c1,0.24, 0.1451944634704503),19137,TRUE
CC[C@@H](C=O)Nc1sc(CC(N)(/C=C/C(=O)N2CC3CCCCC3CC2NC)Oc2ccccc2)nc1C,0.24, 0.2223888527562413),19144,TRUE
CSC(F)C(=O)[C@H](CCC(=O)Nc1ccccc1)NC(=O)/C=C/C(C)(N)Nc1onc(C)c1[N+](=O)[O-],0.24, 0.13200095448591095),19151,TRUE
Cc1cccc2c(CC(N)/C=C/C(=O)Nc3c(Cl)ccc(C[C@@H](C=O)C[C@@H](C)O)c3N3C[C@H]4CCC[C@H]4C3)ccnc12,0.24, 0.19795698127073044),19158,TRUE
[H]c1ccc2c(c1)[C@H](NC(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)[C@H](C)O)[C@H](O)C2,0.24, 0.39756556980458724),19165,TRUE
NC(=O)C(=O)[C@@H](N)C(c1ccc(O)c(O)c1)(C1CC2CCCCC2CN1)[C@H]1CN1,0.24, 0.21916538805870298),19172,TRUE
CN(C)C([C@@H]1CNCCN1)[C@H](N)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.5285475333377418),19179,TRUE
C[C@H](O)[C@H](N)C(=O)N(C=O)C(C)(N)/C=C/C(=O)N[C@H](C=O)CC(CC[C@@H]1C[C@H]1N)Oc1nc2ccccc2c2ccccc12,0.24, 0.07268439552575563),19186,TRUE
CCC[C@@H](C(=O)C=O)N(c1cc(NC(C)C=O)c2[nH]c(C=O)cc2c1)C(N)(/C=C/C=O)Cc1cccc(Cl)c1,0.24, 0.11135238549012928),19193,TRUE
C[C@@H](O)[C@H](NC1O[C@H]2OCC(CCC=O)[C@H]2[C@H]1OC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)C(=O)[C@H](C=O)CO,0.24, 0.046264020159454786),19200,TRUE
CC[C@H](Cc1ccc(O)cc1C)c1cc2c(-c3ccc(F)cc3)ccc(C(C)(N)/C=C/C=O)c2cc1Oc1cccc2[nH]c(C=O)cc12,0.24, 0.09666105614574186),19214,TRUE
C[C@H](NC(C)(C)C)C(=O)C(=O)N(C(=O)c1cnccn1)[C@H](C(=O)Oc1nc2ccccc2c2ccccc12)[C@@H](C)O,0.24, 0.18791835511844285),19228,TRUE
CC1CCN(C(=O)C(=O)[C@H](C)NC(c2ccc([N+](=O)[O-])cc2)c2cc3ccc(NC(C)(C)C)cc3s2)CC1,0.24, 0.21053106871842192),19235,TRUE
[H]c1c(F)cc(Cl)c(C[C@H](N)C(=O)C=O)c1NCC=O,0.24, 0.569585756775778),19242,TRUE
CC[C@@H](C)[C@@H](C=O)Nc1c(F)ccc(C(c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](N)C(=O)C=O)c1Cl,0.24, 0.19149094344005202),19249,TRUE
[H]C(=O)C(=O)[C@@H](N)C[C@@H]1C[C@H]2CCCC[C@@H]2CN1,0.24, 0.5567016766873706),19256,TRUE
CC(=O)NCC(CC[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)Nc1ccc(N)cc1)N[C@H](C(=O)O)C(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.05183249241804676),19263,TRUE
CC(=O)[C@@H](N)Cc1cc(C)c(OC(=O)C(=O)[C@H](C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Cl)o2)c(C)c1,0.24, 0.08274219394728659),19277,TRUE
C[C@@H](C(=O)C(=O)Nc1nc2ccccc2[nH]1)N(C(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)c1ccc(N)s1,0.24, 0.24237700247221847),19284,TRUE
N[C@@H](Cc1nc(C=Nc2cccc(-c3ccc(O)cc3O)c2[C@@H]2C[C@H]3CCCC[C@@H]3CN2)c(O)o1)C(=O)C=O,0.24, 0.1647855146971856),19298,TRUE
CC(N)(/C=C/C=O)N[C@@H](CC(CC(N)=O)c1ccc(Cl)cc1)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.08367799774571073),19305,TRUE
CC(N)(/C=C/C=O)c1c(Oc2c(-c3cncc(Br)c3)ccc3[nH]c(C=O)cc23)cc(O)c(Cl)c1Cl,0.24, 0.17027640104824288),19312,TRUE
CC(=O)[C@@H](N)Cc1cc(C(C)(N)/C=C/C=O)cc(-c2cc3ccc(OC(C)(C)C)cc3s2)c1[N+](=O)[O-],0.24, 0.1782116782585614),19319,TRUE
CC(N)(/C=C/C=O)c1cc(NCC=O)cc2[nH]c(N[C@H](C=O)C(Oc3nc4ccccc4c4ccccc34)C(N)=O)cc12,0.24, 0.0794754485646048),19326,TRUE
CCCC[C@H](NC(=O)C(C[C@H](N)C(C)=O)NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)NC(C)/C=C/C=O,0.24, 0.14144029042854006),19333,TRUE
CC(/C=C/C=O)(NCc1cccc(Cl)c1CN1C(=O)C(=O)c2cc(C#N)ccc21)Oc1nc2ccccc2c2ccccc12,0.24, 0.06960991071841575),19340,TRUE
CC(/C=C/C=O)(NCc1ccc(Cl)c(NC2(c3ccc(O)cc3)CCCC2)c1)Nc1ccc2c(c1)OCO2,0.24, 0.13742775115543637),19347,TRUE
CC(N)(/C=C/C(=O)NC1(c2cccc3ccccc23)CC1)On1nnc2ccc(Oc3nc4ccccc4c4ccccc34)cc21,0.24, 0.11455821773985927),19354,TRUE
CC(C)CC(=O)N[C@@H](C)C(=O)C(=O)OC(C)(NS(=O)(=O)c1cc(C[C@H](N)C=O)ccn1)Oc1ccccc1,0.24, 0.13228289292706513),19361,TRUE
C[C@H](N)C(=O)C(=O)NC(C)(C)C(N)Cc1oc2cc(O)c(C(F)(F)F)c(O)c2c(=O)c1O,0.24, 0.3347867308058788),19368,TRUE
CC[C@H](Nc1c(Nc2ccc(N)cc2)cc(C[C@H](N)C(=O)C=O)c(C)c1O)C(=O)N[C@@H](C)C[C@H](O)[C@H](C)N,0.24, 0.07662078126867482),19375,TRUE
Cc1c(N([C@@H](C)C[C@H](O)[C@@H](N)Cc2ccccc2N)C(C)(N)/C=C/C=O)ccc2c(Nc3ccccc3)ccnc12,0.24, 0.07287460597620085),19382,TRUE
CSc1cc(C)c(C[C@H](N)C(=O)C=O)s1,0.24, 0.4824715475157693),19389,TRUE
COC1CN(C(=O)/C=C/c2ccc(Cl)cc2F)C[C@@H](CC(/C=C/C=O)NCc2oc(=O)oc2C)N1,0.24, 0.3721335320944879),19396,TRUE
Cc1nc(C(C[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)Oc2nc3ccccc3c3ccccc23)c2ccnn2C)cs1,0.24, 0.15979928753317046),19403,TRUE
CC1CCN(C(=O)/C=C/C(C)(N)Oc2c(C[C@H]3COC(=O)C3C)ccnc2Oc2nc3ccccc3c3ccccc23)CC1,0.24, 0.11785239550455538),19410,TRUE
[H]C(N)(/C=C/C(=O)Nc1cc(Cl)cc(Cl)c1)Cc1ccc(NC(C(=O)C(C)=O)[C@@H](C)O)cc1,0.24, 0.30698087976897154),19417,TRUE
CC[C@H](C)C1NCCN(C(=O)/C=C/C(C)N(C(=O)CC[C@H](N)C(=O)CF)C(=O)C(C)C)C1Nc1ccccc1,0.24, 0.3256560320984134),19424,TRUE
CCCc1cccc2c1c(OC(=O)C(=O)[C@H](C)N)nc1c(NS(=O)(=O)C3CC3)cccc12,0.24, 0.30335908384534865),19431,TRUE
CC(/C=C/C=O)NCc1nc(NC(=O)C(C)C)sc1N[C@H](C(=O)C(NCC=O)[C@@H](C)C=O)C(C)C,0.24, 0.18350569932386296),19438,TRUE
[H]C(=O)C(=O)[C@H](C)NCc1cccc(C[C@H]([H])C(=O)c2nccs2)c1,0.24, 0.4332627186149615),19445,TRUE
CC(C)C(c1oc2cc(O)cc(O)c2c(=O)c1O)[C@@H](N)C(=O)N[C@@H](C)C(=O)C=O,0.24, 0.31793127124019793),19459,TRUE
O=C/C=C/C(C[C@@H]1C[C@H]2C(Oc3nc4ccccc4c4ccccc34)CCC[C@@H]2C(c2ccccc2[N+](=O)[O-])N1)NCC=O,0.24, 0.07294046207788464),19466,TRUE
N#Cc1cccc(CC(N)/C=C/C(=O)N2CC(Oc3nc4ccccc4c4ccccc34)[C@@H]3CCCC[C@@H]3C2)c1,0.24, 0.25194353238392725),19473,TRUE
Nc1nc2ccccc2n1-c1ncsc1-c1cc(Cl)cc(C[C@H](N)C(=O)C=O)c1,0.24, 0.36194530854010715),19480,TRUE
Cc1cccc(Cc2cccc(C#N)c2)c1N[C@H](C=O)[C@H](C)OC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.05895542036780963),19487,TRUE
CC[C@@H](C=O)Nc1cc(Cl)cc(OP(=O)(O)O)c1-c1ccc2c(c1)c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.06814693078626081),19494,TRUE
CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)C(=O)N[C@H](C(=O)NS(=O)(=O)C1CC1)[C@@H](C)O)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.10405855904519151),19501,TRUE
N[C@@H](Cc1cc(Oc2nc3ccccc3c3ccccc23)c2[nH]cnc2c1)C(=O)C=O,0.24, 0.25086379252820934),19508,TRUE
CC(N1C[C@H]2CCCC[C@@H]2C[C@H]1C)C(C)(Cc1cscn1)Nc1cc(Cl)ccc1C[C@H](N)C(=O)C=O,0.24, 0.3265580323308984),19522,TRUE
[H]N[C@@H](C)C(=O)C(=O)N[C@H](C(C)=O)C(CC=O)[C@@H]1CC2CCCCC2CN1,0.24, 0.4218533594127794),19536,TRUE
C=C(CC)C(=O)c1cccc2c1nc(OC(=O)/C=C/C(C)(NC(C)C)c1ccc(C(C)=O)o1)c1ccccc12,0.24, 0.10654863728795112),19543,TRUE
CC(=O)N(C(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2cccc(Oc3cncc(Cl)c3)c12)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.1599222598942112),19550,TRUE
CC(N)(/C=C/C=O)NC1(Oc2nc3ccccc3c3cc(Nc4ccc(C(=N)N)cc4)ccc23)CCCCC1,0.24, 0.04900524932179535),19557,TRUE
N[C@@H](Cc1c(-c2cc(O)ccc2-c2ccc3cc[nH]c3c2)ccnc1-c1cccc2[nH]ccc12)C(=O)C=O,0.24, 0.17280841209061518),19564,TRUE
CC(=O)Nc1c(O)c(-c2cc(O)c(O)c(O)c2)c2oc(C[C@H](N)C(=O)C(=O)N[C@@H](C)C=O)c(O)c(=O)c2c1O,0.24, 0.10083102844108374),19571,TRUE
CC(N)(/C=C/C=O)c1ncsc1-c1ccc(Br)c(C2(Oc3nc4ccccc4c4ccccc34)CCOC2=O)c1,0.24, 0.09762260134888137),19578,TRUE
Cc1cc(NC2CCCCC2)cc(C)c1Oc1ccc2c(c1)nc(OC(=O)/C=C/C(C)N)c1ccccc12,0.24, 0.1538460731495765),19585,TRUE
Cc1ccc(C[C@H](N)C(=O)C(=O)N(C(=O)CN)c2ccc(N)c(Cc3ccc4c(c3)OCO4)c2)cc1,0.24, 0.32101657356859353),19592,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(c(-c3ccc(O)c(Cl)c3Cl)ccc2)c2ccccc12,0.24, 0.25818226164977015),19599,TRUE
Cc1c(O)ccc(C(C)(C)C)c1N(C(=O)Oc1nc2ccccc2c2ccccc12)C(=O)C(=O)[C@@H](N)C[C@H]1COC(=O)C1,0.24, 0.17995610421808392),19606,TRUE
Cc1cccc(Cc2ccc3cc[nH]c3c2)c1CC(=O)C(=O)C(N)[C@@H](C)O,0.24, 0.5612020960190435),19613,TRUE
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)C=O,0.24, 0.4661891707756753),19620,TRUE
[H]N(C(=O)C[C@@H](Cc1oc2cc(O)cc(O)c2c(=O)c1O)NCc1nc(N)sc1-c1ccc(O)cc1)[C@@H](C)C(=O)C=O,0.24, 0.09903615764468607),19627,TRUE
[H]NC([H])[C@H](NCc1ccccc1)C(=O)C=O,0.24, 0.5021881066436835),19634,TRUE
[H][C@@H](Cc1ccc(N)cc1C[C@H](N)C(=O)C=O)C(=O)C=O,0.24, 0.3786874775041916),19641,TRUE
Cc1csc(C[C@@H](O)C[C@H](C=O)Cc2cc(CC3CC[C@@H]4CCN(C(=O)/C=C/C(C)N)C[C@H]4C3)cc3c2OCO3)n1,0.24, 0.30131082052388114),19648,TRUE
Cc1noc(Nc2ccc3c(OC(=O)NC(C)(/C=C/C=O)N[C@@H](C)[C@@H](C)O)nc4ccccc4c3c2)c1[N+](=O)[O-],0.24, 0.055484756177442515),19655,TRUE
Nc1cccc(C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)c1Oc1cccc2[nH]c(C=O)cc12,0.24, 0.07872148195237974),19662,TRUE
[H]C(c1ccc(Nc2cc([H])cc(Cl)c2N[H])cc1)[C@H](N)C(=O)C=O,0.24, 0.4312177088921845),19669,TRUE
CCc1c(Br)cncc1C[C@H](N)C(=O)C(=O)Oc1nc2ccc(OP(=O)(O)O)cc2c2ccccc12,0.24, 0.12267391400879213),19676,TRUE
Cc1noc(C)c1C(c1cccc2c1c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12)C(NCC=O)[C@@H](C)O,0.24, 0.12323960371218314),19683,TRUE
CCN(C(=O)c1cnc(C)cn1)C(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F,0.24, 0.10075087149438697),19697,TRUE
C[C@H]1O[C@H](C2CCCC2Nc2cc(Cl)c(-c3cc(F)c(F)cc3F)cc2C(C)(N)/C=C/C=O)C[C@H]2CCCC[C@@H]21,0.24, 0.20022986427730935),19704,TRUE
CCOC(C)CCN[C@@H](C)C(=O)NC(C)(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)N(CC=O)C(N)=O,0.24, 0.12079401867521684),19711,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)NC(=O)/C=C/c1ccccc1-c1cc(-c2cc(C(C)(N)/C=C/C=O)sc2NC2CC2)oc1C(=O)CF,0.24, 0.08169790655718728),19718,TRUE
CC(N)/C=C/C(=O)Oc1nc2c(Sc3ncccn3)cccc2c2cc(-c3ccccc3Cl)ccc12,0.24, 0.12073122226069587),19725,TRUE
Cc1cccc(C)c1CC1(C)[C@H]2C(Oc3nc4ccccc4c4ccccc34)N(C(C)C(=O)NC(C)/C=C/C=O)C[C@H]21,0.24, 0.15039118833135776),19732,TRUE
CC(/C=C/C=O)(NC(=O)C(Cl)=C(Cl)Cl)n1cc2ncnc-2c(CN2C(=O)C(=O)c3cc(C#N)ccc32)c1,0.24, 0.26680988627203134),19739,TRUE
CC(C)C[C@@H](N)C(=O)NC(C)(/C=C/C=O)N[C@H](C=O)CC(C=O)c1cc(CC(=O)Oc2cncc(Cl)c2)ccc1/C=C/C=O,0.24, 0.09676643415044735),19746,TRUE
CC(=O)C(=O)C(NC(N)(/C=C/C(N)=O)Cc1c(O)c(Cl)c(NC(C)C(C)O)c(Cl)c1Cl)[C@@H](C)O,0.24, 0.08875261693884265),19753,TRUE
CC1(C)[C@H]2CN[C@H](C[C@H](N)C(=O)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3-c3ccc(N)cc3)[C@H]21,0.24, 0.20929877983018394),19760,TRUE
N[C@@H](Cc1cccc(Cl)c1Cl)C(=O)C=O,0.24, 0.6483546181148963),19767,TRUE
CCCCc1cn(C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)cc2ncnc1-2,0.24, 0.2089513322173132),19774,TRUE
C[C@H](OC(C)(N)/C=C/C(=O)OCC(N)=O)[C@H](N)C(=O)Oc1nc2ccccc2c2cccc(CS(=O)C3=[SH]c4ncccc4N3)c12,0.24, 0.03889858212468253),19781,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccc([C@H]3CO3)cc12)N(C(=O)c1cnccn1)c1ccccc1,0.24, 0.10508132976813145),19788,TRUE
Cn1cc2nc(C(C)(N)/C=C/C=O)nc-2c(-c2cc(C3(N)CC3Oc3cccc4[nH]c(C=O)cc34)oc(=O)c2)c1,0.24, 0.19830947444822658),19795,TRUE
CCCCNC(C)/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3ccc([N+](=O)[O-])cc3C[C@H](N)[C@@H](C)O)cc12,0.24, 0.052221052175345936),19802,TRUE
N[C@@H](Cn1[nH]c(=O)c2cccc(-c3cccc4ccccc34)c2c1=O)C(=O)C(=O)O,0.24, 0.4321827706646247),19809,TRUE
Cc1cccc(C)c1OC(=O)/C=C/C(NCCCNC(=O)c1cc2ccccc2[nH]1)C(c1ccc2[nH]ccc2c1)C1CC1,0.24, 0.05768040244584701),19816,TRUE
CCC[C@H](NC(CCC(N)=O)[C@@H](C=O)Nc1scnc1C(C)(N)/C=C/C(=O)On1nnc2ccccc21)C(=O)C=O,0.24, 0.0734701566954067),19823,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C=O)C(CCCN)Oc1nc2ccc(C[C@H](N)C(=O)C(F)(F)F)cc2c2ccccc12,0.24, 0.13650709760345425),19830,TRUE
CC(C)[C@@H](C=O)c1cc(C(C)(N)/C=C/C=O)cc(C(C)(C)C(c2ccc3[nH]ccc3c2)n2cc3c(c2)C(=O)C=CC3=O)c1Cl,0.24, 0.1484501149305435),19837,TRUE
Cc1nc(C2NCCN[C@@H]2Cn2ccc(-c3cccc4c(OC(=O)C(=O)[C@H](C)N)nc5ccccc5c34)n2)cs1,0.24, 0.15711030094673814),19844,TRUE
[H]c1c(N[C@@H](C)C=O)ccc(-c2ccccc2Cl)c1C([C@H](N)C(=O)C=O)[C@H]1COC(=O)C1C,0.24, 0.3382397015057784),19851,TRUE
CC(=O)[C@H](C)NC(C)(/C=C/C=O)NC(=O)[C@H](C)NC(=O)c1cc(Cc2ccc3c(c2)OCO3)c(Cn2cc3c(c2)C(=O)C=CC3=O)o1,0.24, 0.14283490349440808),19858,TRUE
Cc1nc(-c2cc3[nH]ccc3c([C@@H]3C[C@H]4CCCC[C@@H]4[C@@H](C)O3)c2-c2cccc(C(C)(N)/C=C/C=O)c2Cl)cs1,0.24, 0.1788485887985366),19872,TRUE
CC(/C=C/C=O)(NC(=O)C(Cl)=C(Cl)Cl)N[C@@H](CCc1cccc2[nH]c(C(=O)OCC(N)=O)cc12)C(=O)O,0.24, 0.10465934610041012),19879,TRUE
CC(N)(/C=C/C(=O)N1C[C@H]2CCCC[C@@H]2C[C@H]1Cc1ccccc1Cl)N[C@H](C=O)CCCCc1ccc2c(c1)OCO2,0.24, 0.1393840291081509),19886,TRUE
CC[C@H](N)C(=O)N(C(=O)c1ccc(Cl)s1)C(/C=C/C(=O)Nc1ccccc1Cl)CC1CC(c2ccn(C)c2)OC1=O,0.24, 0.2334259850805513),19893,TRUE
CCC(C)(C)NC1(Nc2c(N[C@H](C=O)CO)c(CCN[C@@H](C)C(=O)C=O)c(-c3cccc(N)c3)n2C)CCCC1,0.24, 0.07963539571164413),19900,TRUE
Cc1nc(-c2cc(C(C)(/C=C/C=O)NCc3csc(N)n3)c(-c3cc(Cc4cccnn4)ccc3Cl)n2C)cs1,0.24, 0.1526938593659923),19907,TRUE
Nc1ccc(C(C2CCC(CCCC(=O)O)CC2)[C@H](N)C(=O)C=O)cc1,0.24, 0.35305754789678406),19914,TRUE
C[C@H](NC(C1CC2(Oc3nc4ccccc4c4ccccc34)CCCCC2CN1)[C@H](N)C(=O)C=O)[C@@H](C)O,0.24, 0.19354198186131444),19921,TRUE
CCC(Oc1nc2ccccc2c2ccccc12)C(NC(C)(/C=C/C=O)O[C@H]1CCOC1c1ccc(/C=C/C=O)c(SC)c1)c1ccnn1C,0.24, 0.03918575040901787),19928,TRUE
Cc1ccc(C[C@@H](C=O)C[C@@H](C)O)c(C)c1OC(=O)[C@@H](NC(=O)C(=O)[C@H](C)NCC(C)C)[C@@H](C)O,0.24, 0.1321598955541278),19935,TRUE
CC(N)(/C=C/C(=O)NS(=O)(=O)C1CC1C[C@H]1COC(=O)C1(C)c1cncc(Br)c1)Nc1ccccc1,0.24, 0.23493239148296793),19942,TRUE
CC(/C=C/C=O)N(C(=O)C[C@@H](C)N)[C@@H](Cc1ccc(F)cc1)C(=O)N1CC(Oc2nc3ccccc3c3ccccc23)[C@H]2CCCC[C@@H]2C1,0.24, 0.11561233416196649),19949,TRUE
[H]N[C@@H](Cc1oc2cc(O)cc(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.43664583975354),19956,TRUE
C[C@H](NC(=O)C(Nc1ccc(-c2ccccc2)cc1)[C@@H](C)N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.13702078504853762),19963,TRUE
CCNC(C)/C=C/C(=O)Oc1nc2c(CC)cccc2c2cccc(N(C(=O)[C@@H](O)CC=O)S(=O)(=O)C3CC3)c12,0.24, 0.14596159749670296),19970,TRUE
COc1cc2ccc(C(C)(C)C(=O)N(C(=O)C(=O)[C@H](C)N)c3onc(C)c3[N+](=O)[O-])c(NC(C)(C)C)c2[nH]1,0.24, 0.22219817177649906),19977,TRUE
C[C@@H](C=O)C(c1ccccc1NC(=O)c1nc2ccccc2[nH]1)[C@H](O)CN(C=O)c1ccc(NC(C)(N)/C=C/C=O)cc1CC=O,0.24, 0.07076810457396886),19984,TRUE
CC(/C=C/C(=O)N[C@@H](CCC=O)C(=O)C(F)(F)F)NCc1cc(C#N)ccc1Oc1nc2ccccc2c2ccccc12,0.24, 0.12407379828262556),19991,TRUE
CC(Oc1nc2ccc(-c3ccccc3[N+](=O)[O-])cc2c2ccccc12)[C@@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)C=O,0.24, 0.10301569240002666),19998,TRUE
N[C@@H](C[C@@H]1CNCCN1)C(=O)C=O,0.24, 0.349456710989069),20005,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2cccc(OC[C@@H](N)C(=O)N3C[C@H]4CC(Oc5cncc(Cl)c5)C[C@H]4C3)c12,0.24, 0.1602611948630655),20012,TRUE
CC(/C=C/C=O)N[C@H](C=O)C(CCCN)c1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)c2[nH]ccc2c1,0.24, 0.12815631070510072),20026,TRUE
CC[C@@H](C=O)Nc1cc(O)cc(Oc2nc3ccccc3c3ccccc23)c1C(C)(N)/C=C/C(=O)OP(=O)(O)O,0.24, 0.07816765897650821),20033,TRUE
CC(C)(C)[C@H](N)C(=O)NC([C@@H]1C[C@@H]2CCCC[C@@H]2CN1)[C@H](N)C(=O)C(=O)O,0.24, 0.40592193930797327),20040,TRUE
N[C@@H](Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(O)c(O)c1,0.24, 0.32042340650087003),20047,TRUE
CC(C)N[C@@H](C[C@H]1COC(=O)C1C)C(=O)C=O,0.24, 0.4117133681863041),20054,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3cccc(Cl)c3Cl)cccc2c2cccc(Nc3ccccn3)c12,0.24, 0.14998314139062546),20061,TRUE
[H]Oc1cc(O)cc(N[H])c1C[C@H](N)C(=O)C=O,0.24, 0.30461421403177913),20068,TRUE
CNC(C)(/C=C/C=O)NC(Nc1ccc(N2CCNCC2)cc1Oc1cncc(Cl)c1)[C@@H](O)[C@H](C)N,0.24, 0.13998471772542267),20075,TRUE
CCc1cc(O[C@H]2CCOC2)c2nc(NC(N[C@@H](C)C=O)C(C)C)n(C(C)(N)/C=C/C(=O)N[C@@H](C)C(C)=O)c2c1,0.24, 0.156430579506957),20089,TRUE
CCCCc1cccc2c1nc(Oc1cn(C)cc1C[C@H](N)C(=O)C=O)c1ccccc12,0.24, 0.24045983946215524),20096,TRUE
Cc1nc2cc(-c3ccc(C[C@H](N)C(=O)C=O)c(O[C@H]4CCOC4)c3O)ccc2n1C,0.24, 0.4412323028645172),20103,TRUE
CC(N)/C=C/C(=O)Oc1nc2cccc(SCn3nnc4ccccc43)c2c2ccc([C@H]3NC[C@@H]4CCC[C@H]34)cc12,0.24, 0.11133603703792479),20110,TRUE
C#CC[C@H](NC(=O)/C=C/C(C)(N)c1nnc2n1CC(N(C)C)NC2)C(=O)Nc1cc(Cl)cc(Cl)c1,0.24, 0.3069488050066053),20117,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@H](C=O)Cc1ccnnc1CC(N)(/C=C/C=O)Sc1nc(-c2cccc(Cl)c2)c(C#N)c(=O)[nH]1,0.24, 0.06873394492265988),20131,TRUE
CC(N)(/C=C/C(=O)NC1(Nc2ccccc2)CCCC([C@H]2NCCC2c2ccno2)C1)OC(C)(C)c1ccc(Cl)cc1,0.24, 0.16701665317328884),20138,TRUE
[H]NC(c1ccc2ccc(NC3(CCCC)CC3)nc2c1C)[C@H](N)C(=O)C=O,0.24, 0.4634888594684099),20145,TRUE
[H]c1cccc2c1nc(Oc1cn(C)cc1C[C@H](N)C(=O)C=O)c1ccccc12,0.24, 0.31865322778025973),20152,TRUE
CC(C)C(N[C@@H](C)C(=O)C(F)(F)F)NC(C)(/C=C/C=O)c1nc2cc(C3CCC3)ccc2c2cc(Nc3ccc(N)cc3)ccc12,0.24, 0.041853980527026144),20159,TRUE
CC(C)C[C@H](NC1CCC[C@@H]2CN(C(=O)C(=O)[C@H](C)NC(=O)[C@H](N)CC(C)C)CC[C@H]12)B(O)O,0.24, 0.21350680702503436),20166,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cc(-c3ccc(C(=O)C(F)[C@@H]4C[C@H]5CCCC[C@@H]5[C@@H](C)O4)o3)ccc12,0.24, 0.12434772596385832),20173,TRUE
CCC(C)(C)NC(=O)/C=C/C(C)(N)c1ccc(O)cc1-c1c(N)cccc1CC(N)C(=O)C(F)(F)F,0.24, 0.25922039189779617),20180,TRUE
CC(C)(C)Nc1c(-c2cccc3c2c(C[C@H](N)C(=O)C=O)nc2ccccc23)ccc2[nH]cnc12,0.24, 0.18892121183019833),20194,TRUE
CC(=O)c1ccc(-c2ccc3c(OC(=O)/C=C/C(C)(N)NC(C=O)CCC(=O)O)nc4ccccc4c3c2)o1,0.24, 0.06461262912348237),20201,TRUE
CNc1cc2c(-c3ccc4c(OC(=O)C(=O)[C@H](C)N)nc5ccccc5c4c3)ccc(-c3ccc4c(O)ccnc4c3C)c2[nH]1,0.24, 0.09531673689362942),20208,TRUE
Cc1cccc(C(c2cnc(C(=O)[C@H](C)N)s2)[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.12894096023580642),20215,TRUE
CC1(C)[C@H]2CN(C(=O)C(=O)[C@@H](N)Cc3cccc4[nH]ccc34)C[C@H]21,0.24, 0.8402051633085131),20222,TRUE
CC(N)(/C=C/C=O)OC(C)(C)Cc1ccc(-c2cccc3cc[nH]c23)c2[nH]c([C@@H]3OC3Nc3ccccc3)cc12,0.24, 0.06992684118584129),20229,TRUE
NC(/C=C/C=O)Cc1cc(-c2cc(Oc3nc4ccccc4c4ccccc34)cc3[nH]ccc23)c2cc[nH]c2c1,0.24, 0.11515528808631526),20236,TRUE
CCN[C@@H](C)C(=O)C(=O)Oc1c(Nc2nc3ccccc3[nH]2)cc(O)c(-c2ccc3c(O)ccnc3c2C)c1N,0.24, 0.07201593124157794),20243,TRUE
Cc1cc(C(=O)N(C(=O)/C=C/C(N)Cc2nc(C=Nc3ccccc3)c(O)o2)C(C=O)CCC(=O)O)no1,0.24, 0.17776825134498805),20250,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](C)[C@@H](O)C([C@H](C)N)N1CCOCC1Oc1nc2ccccc2c2ccccc12,0.24, 0.24358437130304209),20257,TRUE
NC(/C=C/C(=O)NC1CCCCC1)(Cc1oc2cc(O)cc(O)c2c(=O)c1O)Oc1nc2ccccc2c2ccccc12,0.24, 0.10203642934404196),20264,TRUE
Cc1nc2cc(N[C@H](C=O)[C@@H](C)OC3O[C@H]4OCC[C@H]4[C@H]3OC(C)(N)/C=C/C(=O)N3CCNCC3)ccc2n1C,0.24, 0.22068039502628709),20271,TRUE
NC(=O)C(=O)C(N)CC1CN(C(=O)C(=O)[C@@H](N)Cn2[nH]c(=O)c3ccccc3c2=O)CCO1,0.24, 0.28821882011746996),20278,TRUE
[H]C(c1cccc(O)c1C)[C@H](N)C(=O)C=O,0.24, 0.5507225116986991),20285,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2cccc(Oc3coc4cc(O)cc(O)c4c3=O)c12)O[C@H]1CO[C@H]2OCC[C@@H]12,0.24, 0.10096185009317221),20292,TRUE
C[C@@H]1C[C@H]2CCC(c3ccc(Cl)c(CCCC(=O)O)c3)C[C@@H]2CN1C(=O)/C=C/C(C)(N)c1ccc(F)cc1,0.24, 0.3774399790013404),20299,TRUE
COC(=O)/C=C/C(C)(N)N[C@@H](C)C(=O)NN(C(=O)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)C(CC(N)=O)[C@H]1NC[C@H]2[C@@H]1C2(C)C,0.24, 0.05135951409795189),20306,TRUE
CC[C@@H](C=O)N(C(=O)/C=C/C(N)Cc1cccc(Cl)c1)C(=O)[C@@H](N)CCCCNc1ccc(C(C)=O)o1,0.24, 0.13698225506976014),20313,TRUE
[H]CC1Cn2c(nnc2C([C@H](N)C(=O)C=O)N2C(=O)NCCC2c2ccccc2Cl)CN1,0.24, 0.43990339063272216),20320,TRUE
CC[C@@H](C=O)NC([C@@H]1C[C@H]2CCCC[C@@H]2CN1)[C@H](N)C(=O)N[C@@H](Cc1cccc(Cl)c1Cl)C(=O)C=O,0.24, 0.23678032501119947),20327,TRUE
C[C@H](N)C(=O)C(=O)On1nnc2cc(N3C[C@H]4CCCC[C@@H]4C[C@H]3C)c(-c3nc4ccccc4c4ccccc34)cc21,0.24, 0.17920492684398076),20334,TRUE
CNc1nc(Oc2nc3ccccc3c3cccc(CC(N)C(=O)C(F)(F)F)c23)c(Br)cc1C(C)(N)/C=C/C=O,0.24, 0.13101417494107445),20341,TRUE
C[C@H](NCCC(N)c1ccc(O)cc1)C(=O)C(=O)N[C@H](C=O)C(CC=O)c1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.11359915109740809),20355,TRUE
COC(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2cccc(C[C@H](NC(C)(C)C)[C@@H](O)[C@H](O)[C@H](C)N)c12,0.24, 0.116512550218779),20369,TRUE
CC[C@H](NC(C)/C=C/C(=O)N([C@H](C(=O)C[C@@H](C)C=O)C(C)C)S(=O)(=O)c1cc(CC(N)C(=O)C(F)(F)F)ccn1)C(=O)O,0.24, 0.16712453220953252),20376,TRUE
CCCCN[C@@H](CCC(=O)N(C(=O)/C=C/C(C)(N)c1nnc(S)n1-c1ccccc1)c1ccccc1)C(C)=O,0.24, 0.1677535931652119),20383,TRUE
C[C@H](N)C(CC(=O)N(C(=O)[C@@H](N)CO)[C@@H](C)C(=O)C=O)Sc1cc(Oc2nc3ccccc3c3ccccc23)ccc1[C@@H]1C[C@H]1N,0.24, 0.07245134121924238),20390,TRUE
[H]Oc1cc2ccc(C[C@H](NC(=O)C(N)CCC(=O)O)C(=O)C=O)cc2[nH]1,0.24, 0.30643739995309227),20397,TRUE
CC(=O)[C@H](C)NC(=O)/C=C/C(N)(Cc1nc(C)c(-c2ccc(O)cc2C)s1)Oc1nc2ccccc2c2ccccc12,0.24, 0.11489974446087063),20404,TRUE
CSC(N)(/C=C/C(=O)Nc1c(Cl)cccc1Oc1nc2ccccc2c2ccccc12)Cc1cc2nc[nH]c2cc1-c1ccccc1,0.24, 0.08135661584929599),20418,TRUE
CC(=O)Nc1cc(NC(=O)CO)ccc1NC(=O)/C=C/C(C[C@H]1NCCC1CN1C(=O)C(=O)c2cc(C#N)ccc21)NCC(C)C,0.24, 0.14227694049173883),20425,TRUE
Cc1ccc(Cc2cccnn2)c(C)c1OC(C)[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)N1C[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.45963945056461136),20432,TRUE
C=C(CC)C(=O)c1cccc2c1nc(OC(=O)/C=C/C(C)(N)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)c1ccccc12,0.24, 0.09696865381761074),20446,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1[H],0.24, 0.33221695000120416),20453,TRUE
CC[C@H](N)C(=O)N(C(=O)[C@@H](N)[C@@H](O)Cc1c(C(F)F)cc(O)c(Cl)c1Cl)[C@@H](C)C(=O)C=O,0.24, 0.2753864192363931),20460,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccc(C)cc1,0.24, 0.5606732915779044),20467,TRUE
C[C@H](N)C(=O)C(=O)O[C@H]1CO[C@H]2OCC[C@@H]12,0.24, 0.5036214075672832),20474,TRUE
CC[C@H](N)C(=O)N(c1ccc(C(C)(N)/C=C/C=O)c(N)c1-c1cccc(Cl)c1)[C@H](C=O)C(C)OC,0.24, 0.2440977433876833),20481,TRUE
CSC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3ccc(C(=O)NS(=O)(=O)c4ccc(N)cc4)o3)cc12,0.24, 0.07341528322239044),20495,TRUE
N[C@@H](C[C@@H]1CC2CCC(n3ccnn3)CC2CN1)C(=O)C(=O)Nc1ccc(Cl)cc1,0.24, 0.6048279429502624),20502,TRUE
CC(N)(/C=C/C(=O)O[Na])N[C@@H](Cc1c(O)c(Cl)cc(Cl)c1Cl)C(=O)OC(Oc1nc2ccccc2c2ccccc12)[C@@H](N)C=O,0.24, 0.032425911234291074),20509,TRUE
[H]c1ccc2c(c1)nc(OC(=O)C(=O)[C@H](C)N)c1c(O)c([H])ccc12,0.24, 0.43507090153057615),20516,TRUE
C[C@H](N)C(=O)NN(CCC(N)=O)C(=O)c1c(O)c(O)cc(C[C@H](N)C(=O)C=O)c1N[C@H](C=O)C(C)(C)C,0.24, 0.054418382662441325),20523,TRUE
CC(N)/C=C/C(=O)Nc1cc(Cl)cc(Cl)c1Cc1cccc(-c2cc(Oc3nc4ccccc4c4ccccc34)nn2C)c1,0.24, 0.13153223026704),20530,TRUE
[H]c1coc2cc(NC(C)OC(=O)C(=O)[C@H](C)N)cc(O)c2c1=O,0.24, 0.41684475108676355),20537,TRUE
C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c(F)cc(F)c(C[C@H](N)C(=O)C=O)c1F)C(=O)c1nccs1,0.24, 0.1928296526911354),20544,TRUE
[H]N1CCN(C(=O)/C=C/C(C)(N)c2c(NC(C(=O)C(C)=O)[C@@H](C)O)[nH]c3ccccc23)CC1,0.24, 0.29917628379575395),20551,TRUE
CC(/C=C/C(=O)N(c1ccc(N)cc1)C1CC1Oc1nc2ccccc2c2ccccc12)(NCCC(=O)O)Oc1ccc(O)cc1,0.24, 0.06031875491293542),20558,TRUE
[H]Oc1cccc(N)c1C[C@H](N)C(=O)C(=O)N[H],0.24, 0.37957005706696817),20565,TRUE
C[C@@H](O)[C@@H](C=O)NC1CO[C@@H]2OC[C@H](OC(=O)C(=O)[C@@H](N)Cn3[nH]c(=O)c4ccccc4c3=O)[C@H]12,0.24, 0.16372018614777717),20572,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1,0.24, 0.09710814695066795),20579,TRUE
Cc1cccc(C)c1-c1cccc(C[C@H](N)C(=O)C=O)c1C[C@@H](C=O)C[C@H](O)[C@@H](N)C(C)C,0.24, 0.3360147568594019),20586,TRUE
Cn1cc(CNC(C)(/C=C/C(=O)NS(=O)(=O)C2CC2)c2cc(O)c(O)c(O)c2)cc1NC(C=O)CCC(=O)O,0.24, 0.098363683675295),20600,TRUE
N[C@@H](Cc1cc(Cc2ccccc2)c(C=O)s1)C(=O)C=O,0.24, 0.6245447374048054),20607,TRUE
[H]C[C@H](NCc1ccccc1)C(=O)C=O,0.24, 0.5560633620848047),20614,TRUE
CC(N)(/C=C/C=O)Sc1cc(N(c2ccccc2O)C2CCCC2)ccc1-c1ccc(F)cc1Cl,0.24, 0.14241608530679212),20621,TRUE
Nc1ccc(C[C@H](N)C(=O)C(=O)OP(=O)(O)O)c(Nc2ccc(O)c(O)c2)c1,0.24, 0.1097210989374671),20628,TRUE
CC(N)(/C=C/C(=O)OCc1cccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)c1[N+](=O)[O-])N[C@H](C=O)CCCCN,0.24, 0.03280767663666404),20635,TRUE
C[C@H](N)/C=C/C(=O)NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(Cc1cccc(Cl)c1)c1cscn1,0.24, 0.12318378313047096),20642,TRUE
N[C@@H](Cc1c(Cl)c(Cl)ccc1)C(=O)C=O,0.24, 0.6483546181148963),20649,TRUE
C[C@H](N)C(=O)C(=O)NS(=O)(=O)C1(C)CC1,0.24, 0.6004964684994537),20663,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NCc1ccc([N+](=O)[O-])cc1)Oc1ocnc1C=Nc1ccccc1,0.24, 0.03083606233637219),20677,TRUE
CNC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)Cc1nc(C)sc1NC(C(=O)C(C)=O)[C@@H](C)O,0.24, 0.0705433413064376),20684,TRUE
CC(C)C[C@@H](C=O)NC(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C,0.24, 0.4013361261116945),20691,TRUE
COC1(C)C(=O)OC(c2ccc(Oc3cccc4[nH]c(C=O)cc34)cc2OC(C)(C)C)[C@@H]1c1sc(CC(N)/C=C/C=O)nc1C,0.24, 0.11357192645811777),20698,TRUE
CC(=O)Nc1ccc(C#N)cc1-c1nc(Oc2nc3ccccc3c3ccccc23)sc1C[C@H](N)C(=O)C=O,0.24, 0.16395332359651058),20705,TRUE
[H]Nc1cc(N)c(Oc2nc3ccccc3c3ccccc23)cc1NC(=O)C(=O)[C@H](C)N,0.24, 0.22227471496934068),20712,TRUE
[H]c1ccc(C#N)cc1-c1cccc2nc(OC(=O)C(=O)[C@H](C)N)c3c([H])cccc3c12,0.24, 0.32041819895963547),20719,TRUE
Cc1ccc(Oc2nc3ccccc3c3ccccc23)c(C)c1OC(=O)/C=C/C(C)(N)c1ccc(F)cc1,0.24, 0.11343352495266217),20733,TRUE
C[C@H](N)C(=O)C(=O)N1C[C@H]2CCC[C@H]2C1,0.24, 0.660346786701244),20740,TRUE
CC(N)(/C=C/C=O)Oc1cc(Br)cnc1NC(C)(C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.13646116405468114),20747,TRUE
CC(C)N(C(=O)CCCCCN)C(/C=C/C=O)C[C@H]1CN1c1cc(O)c2c(=O)c(O)c(-c3ccccc3Cl)oc2c1,0.24, 0.1111606019302288),20761,TRUE
CC(/C=C/C(=O)N[C@H]1c2ccccc2C[C@H]1O)NC(NC(C)C(=O)C(N)=O)[C@@H](O)C(c1nc2ccn(C)cc-2n1)[C@@H](C)C=O,0.24, 0.062191794570203435),20768,TRUE
CC(/C=C/C(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)(NCCc1oc2cccc(O)c2c(=O)c1O)Oc1ccc(O)cc1,0.24, 0.18004157135691004),20782,TRUE
CC(/C=C/C=O)(NCc1ccc([N+](=O)[O-])cc1)Sc1ncc(-c2cc(-c3ccc(Cl)cc3)cc([N+](=O)[O-])c2)cn1,0.24, 0.03960746812898143),20796,TRUE
CC(c1ccccc1)[C@H](N)C(=O)N[C@@H](Cc1nc2cc(-c3ccccc3N)n(C)cc-2n1)C(=O)C=O,0.24, 0.1872663063545639),20803,TRUE
CC(N)(/C=C/C=O)c1cc(Oc2nc3ccccc3c3c(-c4cccc5ccccc45)cccc23)c(Cl)cc1Cl,0.24, 0.12465219804759399),20810,TRUE
N[C@@H](Cc1nc2cc(-c3cc(=O)c4c(O)cccc4o3)[nH]c(-c3cccnn3)c-2n1)C(=O)C(=O)Oc1ccccc1,0.24, 0.15116293644140105),20824,TRUE
CC(Cc1cccc2c1c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12)N[C@@H](C)C[C@H](O)[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1,0.24, 0.039152764788746595),20845,TRUE
[H]C[C@@H](O)C(C(=O)C(C)=O)N(Cc1cccc(Cl)c1)C(C)(/C=C/C=O)NC[C@H]1O[C@H](C)C[C@H]2CCCC[C@H]12,0.24, 0.1810097633485741),20852,TRUE
NC(/C=C/C=O)(Cc1oc2cc(O)c(CCC=O)c(O)c2c(=O)c1O)c1cncc(Br)c1,0.24, 0.26684231127105756),20859,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3cc(-c4cccc5ccccc45)ccc3Cl)cccc12,0.24, 0.14303451539111436),20866,TRUE
CC(=O)n1ccc2cc(C(N)(/C=C/C=O)Cc3ccc(/C=C/C=O)c(C[C@H](N)C(=O)C=O)c3)ccc21,0.24, 0.24099899146032763),20880,TRUE
C[C@H](N)C(=O)C(=O)Nc1ccc(C(=N)N)cc1Nc1ccc(N)cc1,0.24, 0.20005748683066182),20887,TRUE
CCCC[C@H](NC(=O)/C=C/C(C)N)C(=O)Oc1nc2ccccc2c2cccc(Nc3ccccc3Cl)c12,0.24, 0.12667929219296914),20894,TRUE
COC1N(C(=O)/C=C/C(C)N)CCC2CCC(c3cccnn3)CC21N(C(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1,0.24, 0.33172521801016813),20901,TRUE
[H]N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Oc1ccnc2c(C)c([H])ccc12,0.24, 0.30171941993325774),20908,TRUE
CCOC(=O)/C=C/C(C)N(C(=O)/C=C/[C@H](C)N)C(=O)C(C[C@H](N)C(=O)C(F)(F)F)Oc1nc2ccccc2c2ccccc12,0.24, 0.17631693351373884),20915,TRUE
Cc1cccc2c(-c3ccc4c(OC(=O)/C=C/C(C)NCc5cccc(Cl)c5)nc5ccccc5c4c3)ccnc12,0.24, 0.12166804393247127),20922,TRUE
CNC(C)Oc1cccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c12,0.24, 0.2977001835628168),20929,TRUE
C[C@H]1O[C@@H](OC(C)(N)/C=C/C(=O)N[C@@H](CC(O[C@H]2CCOC2)C(N)=O)C(=O)C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.12070157610836864),20943,TRUE
CC(C)(OC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)Cc1cc(O)c(O)c(O)c1)C(N)=O,0.24, 0.07716291753408387),20950,TRUE
Cc1ccc(C[C@@H](CC=O)OC(=O)C(=O)[C@@H](N)Cc2ccc3c(O)ccnc3c2C)cc1,0.24, 0.3018146546298859),20964,TRUE
N[C@@H](CC1(c2c(O)c(Cl)cc(Cl)c2Cl)CC(c2ccc(Br)cc2)OC1=O)C(=O)C=O,0.24, 0.24376281087286675),20971,TRUE
CSc1scc(C)c1-c1[nH]ccc2nc(C(C)(/C=C/C=O)NC(=O)C(Cl)=C(Cl)Cl)nc1-2,0.24, 0.24144775567341326),20978,TRUE
CC1CCN(C(c2nc3cn(C)cc(N[C@H](C=O)C(C)C)c-3n2)[C@H](N)C(=O)C=O)CC1,0.24, 0.4540589819029443),20985,TRUE
C[C@H]1COC(=O)C1Cc1[nH]nnc1-c1c(C(Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](N)C(=O)C=O)cc(O)c(O)c1O,0.24, 0.050475626600442206),20992,TRUE
CC(C)[C@H](N)C(=O)C[C@@H](C)C(=O)N1CCC[C@H]1N([C@@H](C)C(=O)C(F)(F)F)C(C)(N)/C=C/C(=O)N[C@H](C=O)[C@@H](C)O,0.24, 0.13103698375057124),20999,TRUE
CCC(C)(C)NC(/C=C/C=O)(NCc1cccnc1)C(c1oc2cc(O)cc(O)c2c(=O)c1O)n1ccc2ncnc-2c1,0.24, 0.08708815613246373),21006,TRUE
CC1(S(=O)(=O)NC(=O)COC(=O)C(=O)[C@@H](N)Cc2coc3cc(O)cc(O)c3c2=O)CC1,0.24, 0.27831757554402903),21013,TRUE
Cc1c(C[C@H](N)C(=O)C=O)c(C)ccc1,0.24, 0.5875489312978712),21020,TRUE
CCC[C@H](NC1CCC[C@@H]2CN[C@H](C(c3ccno3)[C@H](N)C(=O)C=O)C[C@H]12)C(=O)C=O,0.24, 0.33660646324904275),21027,TRUE
CCCNC(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2c(-c3ccccc3[N+](=O)[O-])c(OC(C)C)ccc12,0.24, 0.08632547336891824),21034,TRUE
C=C[C@@H]1C[C@]1(NC(Oc1ccccc1)C(CC)(Sc1ccccc1)c1ccc(O)c(O)c1)N[C@@H](C)C(=O)C=O,0.24, 0.05500434325385816),21041,TRUE
C=C[C@@H]1C[C@]1(N)c1cc(COC(=O)C(=O)[C@H](C)N)c(-c2cccc3[nH]c(C=O)cc23)c(NC(C)=O)c1,0.24, 0.15601290928102007),21048,TRUE
Cc1cc(C(=O)NC(C)(/C=C/C=O)N(CC=O)[C@@H](Cc2ccc(-c3ccccc3N)cc2Cl)C(=O)C(F)(F)F)no1,0.24, 0.13769023928561738),21055,TRUE
[H]CN[C@@H](Cc1ccccc1/C=C/C(=O)Nc1nc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2[nH]1)C(=O)C=O,0.24, 0.09900680661936245),21062,TRUE
C[C@H](NC[C@H]1O[C@H](C)C[C@H]2CC(Cn3cc4c(c3)C(=O)C=CC4=O)CC[C@H]12)C(=O)C=O,0.24, 0.5314294304120418),21069,TRUE
C[C@H](NC[C@H]1O[C@H](C)C[C@H]2CC(OC[C@@H](N)C=O)CC[C@@H]21)C(=O)C=O,0.24, 0.4508744291656728),21076,TRUE
CC(/C=C/C=O)NC(=O)C(Oc1nc2cccc(Oc3cccc(OC(C)C)c3)c2c2ccccc12)[C@@H](C)N,0.24, 0.15414709241827937),21083,TRUE
Cc1csc(C(CC=O)[C@H](NC(=O)/C=C/C(C)(N)c2cccc(Cl)c2Cl)C(=O)C(F)(F)F)n1,0.24, 0.3737857091836727),21090,TRUE
CC(N)(/C=C/C=O)Oc1nc2c(CC=O)cccc2c2c(-c3cc(-c4nccs4)c(O)c(Cl)c3Cl)cccc12,0.24, 0.090685830894703),21097,TRUE
CC(=O)n1ccc2cc(-c3cccc4c3c(OC(=O)C(=O)[C@H](C)N)nc3ccccc34)ccc21,0.24, 0.24523755903588298),21104,TRUE
NC(/C=C/C(=O)Nc1c(Cl)cccc1Oc1nc2ccccc2c2ccccc12)Cc1cc(Cl)cc(-c2ccc(O)cc2)c1,0.24, 0.11664290429595045),21111,TRUE
Cn1nccc1C(N)(/C=C/C(=O)N1CC[C@H]2CCCC[C@@H]2C1Oc1cncc(Br)c1)Cc1ccccc1,0.24, 0.4097326538665613),21118,TRUE
[H]N[C@@H](Cc1sc(C(=O)[C@H](C)N)nc1-c1cccc2ccccc12)C(=O)C=O,0.24, 0.3678613229707432),21125,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccccc1/C=C/C=O,0.24, 0.44003497492225735),21132,TRUE
Cc1cccc(CN(Cc2ccccc2)C(=O)/C=C/C(C)N(C(=O)c2ccc(Cl)s2)C(=O)[C@@H](N)CC(C)C)c1,0.24, 0.27947527367152436),21139,TRUE
C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)C(=O)N[C@H](C=O)[C@H](C)C(N)Cc1cc(F)c(F)cc1F,0.24, 0.22462030090680182),21146,TRUE
CC(=O)Nc1cc(CC(N)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)c2cncc(Br)c2)cnc1[SH](=O)=O,0.24, 0.09618744549140747),21160,TRUE
C[C@H]1C(NC(C=O)CCC(=O)O)OC(=O)C1C(c1ccccc1)[C@H](N)C(=O)C=O,0.24, 0.26310473061569434),21167,TRUE
Cc1c(CSC2(NS(=O)(=O)C3(C)CC3Nc3ccccc3Cl)CC(C(C)(N)/C=C/C=O)C2)ccc2c(O)ccnc12,0.24, 0.13023750645310306),21174,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccccc1F,0.24, 0.5606098895947274),21181,TRUE
CNc1cc(NC=O)cc2c1nc(OC(=O)/C=C/C(C)N(CC[C@H](N)C=O)Cc1csc(N)n1)c1ccccc12,0.24, 0.08232023554729226),21188,TRUE
CSc1scc(C)c1C[C@@H](C(=O)C(F)(F)F)N(c1ccc2[nH]c(CN)cc2c1)C(C)(N)/C=C/C(=O)N(C)C,0.24, 0.18798991692263795),21195,TRUE
Cn1ccc2nc(-c3cccc4c(OC(=O)/C=C/C(C)(N)N[C@H](C=O)C(C)(C)C)nc5ccccc5c34)nc-2c1,0.24, 0.10143295879393374),21202,TRUE
CC(=O)Nc1cc(-c2cc(O)c(O)c(O)c2N2C[C@H]3CCCC[C@@H]3C[C@H]2C)c2c(c1)c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.08110759806228152),21209,TRUE
CC(C)C(=O)N(C(=O)CCCCCN)[C@@H](Cc1c[nH]nn1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.11809922408244408),21216,TRUE
[H]Nc1cc(C[C@H](N)C(=O)C=O)cc(O)c1O,0.24, 0.23206756952988358),21223,TRUE
C[C@H](NC(N)(/C=C/C=O)Cc1oc(C=O)cc1CN1C(=O)C(=O)c2cc(C#N)c(-c3cccc4[nH]c(C=O)cc34)cc21)C(=O)C=O,0.24, 0.08546079216641714),21230,TRUE
N[C@@H](Cc1cccc(-n2cc3C(=O)C=CC(=O)c3c2)c1[N+](=O)[O-])C(=O)C=O,0.24, 0.34655224527284134),21237,TRUE
N[C@H](C(=O)C=O)C([C@@H]1NC1(Nc1ccc(Cl)cc1)c1ccc(O)cc1)n1c(NCC=O)nc2ccccc21,0.24, 0.110956484553565),21244,TRUE
CC(/C=C/C=O)NC(=O)[C@H](N)C(Sc1ccccc1CC=O)C(C)CC1C(=O)OC(CN2C(=O)C(=O)c3cc(F)ccc32)[C@@H]1C,0.24, 0.10465839794434094),21251,TRUE
N#Cc1cc(C[C@H](N)/C=C/C=O)cc(Cn2nccc2CC(/C=C/C=O)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1,0.24, 0.13283034011957837),21258,TRUE
CC(N)(/C=C/C=O)Oc1cccc(CC=O)c1Oc1nc2c(-c3cc(=O)c4c(O)cccc4o3)cccc2c2ccccc12,0.24, 0.08749246535836619),21272,TRUE
N[C@H](C(=O)C=O)C(c1ccno1)c1c(O)c(Cl)cc(Cl)c1Cl,0.24, 0.48020840379058766),21279,TRUE
CCCc1cccc(C(N)(/C=C/C=O)Cc2cccc(-c3cc(=O)c4c(O)cccc4o3)c2NCc2cscn2)c1[N+](=O)[O-],0.24, 0.06417358144840862),21286,TRUE
Cc1c(C(C)(N)/C=C/C(=O)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)ccc(O)c1Sc1ccc(-c2ccc(F)cc2)cc1,0.24, 0.17426727495202893),21293,TRUE
[H]N(C(=O)C(=O)[C@H](C)N)[C@@H](CCC=O)C(=O)Cc1ccc2c(c1)nc(C)n2C,0.24, 0.48411720290024535),21300,TRUE
Cc1c(O)cccc1-c1cccc2c(OC3CN(C(=O)/C=C/C(C)N)C[C@H]4CCCC[C@H]34)nc3ccccc3c12,0.24, 0.2290487180585059),21307,TRUE
CC(C(=O)N(c1ccccc1)C(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)C1CC2CCCCC2CN1,0.24, 0.11498663661062711),21314,TRUE
CC(N)(/C=C/C=O)N/C(C=O)=C\c1ccc(Oc2cnc(Oc3nc4ccccc4c4ccccc34)c(Cl)c2)o1,0.24, 0.08995627464756734),21321,TRUE
CCN1CC2CCCCC2CC1c1cccc(Nc2cccc3[nH]cc(C(C)(/C=C/C=O)NC(N)=O)c23)n1,0.24, 0.23336746823896207),21328,TRUE
Cc1nc2cc(C3CCNC(=O)N3c3cccc4c3nc(OC(=O)C(=O)[C@H](C)N)c3ccccc34)ccc2n1C,0.24, 0.1965929673411156),21335,TRUE
[H]c1cc2c(nc(C)n2C)c([H])c1C[C@H](N)C(=O)C=O,0.24, 0.6288934008330159),21342,TRUE
N[C@@H](Cc1cnc(Oc2nc3ccccc3c3cc(-c4oc5cccc(O)c5c(=O)c4O)ccc23)s1)C(=O)C=O,0.24, 0.1459125958259352),21349,TRUE
N[C@H](C(=O)C=O)C(Nc1ccccn1)c1cc(NC2CC2)cc2[nH]c(C=O)cc12,0.24, 0.3248634084452923),21356,TRUE
C[C@H](NC(F)(C(=O)c1ccco1)c1cc2nc(Oc3ocnc3C=Nc3ccccc3)nc-2cn1CC(N)/C=C/C(N)=O)C(=O)C=O,0.24, 0.037423128321352986),21363,TRUE
C[C@H](N)C(=O)C(=O)Nc1cc(Oc2nc3ccccc3c3ccccc23)c(Cl)c(N2CCCNC2=O)c1,0.24, 0.25310108952836596),21384,TRUE
Cn1cc(NC(C)(C)C)c(C(NC(C)(/C=C/C=O)C2CCC(c3cc(O)c4c(=O)c(O)coc4c3)C2)c2cc3ccccc3s2)c1,0.24, 0.09628092991086415),21391,TRUE
CSc1scc(C)c1Cn1cc(C(C)(/C=C/C=O)NC(=O)C(C)C)cc1N(C(=O)[C@@H](N)[C@H](C)O)C1CC1,0.24, 0.2128494623554404),21398,TRUE
Cc1cc(-c2nnc3n2CCNC3)cc(Cc2cccc(C(F)(F)F)c2F)c1C[C@H](N)C(=O)C=O,0.24, 0.3006796828569646),21405,TRUE
CC(C)C[C@@H](C(=O)NC(C)(/C=C/C(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)c1c[nH]c2ccccc12)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.19206488936656688),21412,TRUE
Cc1cccc2c(O)cc(CCCNC(=O)/C=C/C(N)(Cc3ccc(F)cc3)Oc3ccc(O)cc3)nc12,0.24, 0.13847260655055807),21419,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccc(-c3ccc(F)cc3-c3ccc(F)cc3Cl)cc12,0.24, 0.16424717780560089),21426,TRUE
C[C@H](O)[C@@H](C=O)NC(C)(/C=C/C=O)N(C(=O)CC[C@H](N)C(=O)CF)C(=O)c1cc(Cc2ccccc2)on1,0.24, 0.17046281233961444),21433,TRUE
[H]C[C@H](N)C(=O)C(=O)NCC(C)[C@H]1NC[C@H]2[C@@H]1C2(C)C,0.24, 0.6073330617671562),21440,TRUE
CC(C)C[C@H](C=O)NC(C)(/C=C/C=O)NC(=O)C(C)c1ccc(C[C@H](N)C=O)c(Oc2nc3ccccc3c3ccccc23)c1Cl,0.24, 0.06399688521143819),21447,TRUE
C[C@H](Nc1c(F)c(F)cc(F)c1C[C@H](N)C(=O)C(=O)N[C@@H](CCCC(N)=O)C(N)=O)[C@@H](C)O,0.24, 0.16123178407417477),21461,TRUE
CCc1ccncc1-c1cccc(CC(/C=C/C(=O)Nc2ccc(N)cc2)(NC(=O)C(=O)[C@H](C)N)Nc2ccccc2)c1,0.24, 0.07219802808963144),21468,TRUE
Cc1c(N(c2ccccc2)C(C)(N)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)ccc2c(O)ccnc12,0.24, 0.10226264483562023),21475,TRUE
Cc1c(O)cccc1-c1cc(S(=O)(=O)NC(C)(N)/C=C/C=O)c(Oc2nc3ccccc3c3ccccc23)cc1N,0.24, 0.06577014756846042),21489,TRUE
Cc1c(O)cccc1C(c1cccs1)(c1c[nH]c2ccccc12)[C@H](N)C(=O)C=O,0.24, 0.337405389751521),21496,TRUE
C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)C(=O)Oc1nc2cc(CC(N)C(=O)C(F)(F)F)ccc2c2ccccc12,0.24, 0.10516938634496194),21503,TRUE
CC(N)(/C=C/C=O)c1cc(Oc2nc3c(N[C@H](C=O)CO)cccc3c3cc([C@H](N)C=O)ccc23)ccc1Cl,0.24, 0.124135306227774),21510,TRUE
Nc1c(-c2ccc(C[C@H](N)C(=O)C=O)c(N=Cc3ncoc3O)c2)oc2ccc(-c3oc4cccc(O)c4c(=O)c3O)c(O)c2c1=O,0.24, 0.0794864117895526),21517,TRUE
CC1C(=O)OC[C@@H]1CC(N)/C=C/C(=O)Oc1nc2ccccc2c2cc(-c3nc4ccccc4c4ccccc34)ccc12,0.24, 0.1349368104254493),21524,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2c(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc12,0.24, 0.07221746734558632),21531,TRUE
Cc1cc(NS(=O)(=O)C2CC2)cc2c(CC(N)(/C=C/C=O)C3(Oc4nc5ccccc5c5ccccc45)CCC3)ccnc12,0.24, 0.1110792764994362),21538,TRUE
Cc1cc([C@@H]2C[C@H]2N)cc(C)c1C(Oc1nc2ccccc2c2ccccc12)C(/C=C/C=O)N(C(=O)c1cnccn1)C(=O)[C@@H](O)CC=O,0.24, 0.11105905998574933),21545,TRUE
CC(N)(/C=C/C=O)c1oc2cc(O)cc(O)c2c(=O)c1C(N[C@H](C=O)CCCC(N)=O)N1C(=O)C(=O)c2cc(C#N)ccc21,0.24, 0.11099082989573325),21552,TRUE
CC(C)C[C@H](C(=O)[C@@H](N)[C@@H](C)O)C(=O)N(CC(C)C)[C@@H](Cc1ccc(O)c(O)c1)C(=O)C=O,0.24, 0.1466811898420252),21559,TRUE
[H]N[C@@H](Cc1ccc2[nH]c(C(=O)Oc3nc4c([H])cccc4c4ccccc34)cc2c1)C(=O)C=O,0.24, 0.18103824530524137),21566,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3ccc(F)cc3Cl)cccc2c2ccccc12,0.24, 0.2934015409258955),21573,TRUE
CC(=O)N1C(N[C@@H](C)C(=O)C=O)C2CCCC([C@H](C=O)C(C)C)C2C[C@H]1C(N[C@@H](C)C=O)[C@H](N)C(=O)C=O,0.24, 0.200434957163669),21580,TRUE
[H]C[C@@H](O)[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.32314471099392056),21587,TRUE
Cc1nc2cc(CC(/C=C/C=O)(NC(=O)C(N[C@H](C=O)CCCC(N)=O)C(C)C)[C@@H]3C[C@@H]4CCCC[C@@H]4CN3)ccc2n1C,0.24, 0.17993377244357917),21594,TRUE
CC(/C=C/C(=O)OCc1ccccc1/C=C/C(=O)Oc1ocnc1C=Nc1ccccc1)NCc1ccccc1,0.24, 0.13847094165230586),21601,TRUE
C#CC[C@@H](C=O)NC(C)(/C=C/C=O)N(C(=O)CC(C)C)c1nc(Cc2ccc(Br)cc2)sc1CC1C(=O)OC[C@@H]1C,0.24, 0.10303573142870101),21608,TRUE
CC(C)CC(=O)NC(=O)C(C)(C)Oc1cc(C(Oc2nc3ccccc3c3ccccc23)C(N)/C=C/C=O)c(C(=O)O)cc1Br,0.24, 0.09445137685264693),21615,TRUE
Cc1ccc(-c2cc(-c3cccc4c3c(OC(=O)C(=O)[C@H](C)N)nc3ccccc34)nc(S)n2)cc1,0.24, 0.11723343512659859),21622,TRUE
C[C@H](N)C(=O)C(=O)N1C[C@@H]2[C@H](C1CCC=O)C2(C)C,0.24, 0.5754515127901059),21629,TRUE
CNC(/C=C/C=O)(NC1CC2CCCCC2CN1)C(c1c[nH]c2ccccc12)n1cc2c(c1)C(=O)C=CC2=O,0.24, 0.20201860134868774),21643,TRUE
Cc1noc(C)c1-c1cccc2c(OC(=O)/C=C/C(C)(N)Nc3onc(C)c3[N+](=O)[O-])nc3ccccc3c12,0.24, 0.07170911393924041),21650,TRUE
CC(N)(/C=C/C=O)N[C@@H](CCCC(=O)Nc1oc2cccc(O)c2c(=O)c1O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.047675809770459814),21657,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(-c3ccc(Oc4ccccc4)cc3[N+](=O)[O-])ccc2c2ccccc12,0.24, 0.09920215000187238),21664,TRUE
Cc1noc(C)c1N(C)C(=O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1,0.24, 0.544861197445438),21671,TRUE
C[C@H](N)C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1-c1c(-c2ccc3cc[nH]c3c2)cno1,0.24, 0.22663189297994177),21685,TRUE
CCNC(C)/C=C/C(=O)N(C(=O)c1ccc2ccccc2n1)c1ncccc1Oc1cccc2[nH]c(C=O)cc12,0.24, 0.1912706468487738),21699,TRUE
[H]C(CCCN)[C@H](N)C(=O)N(C(=O)C(=O)[C@H](C)N)c1cccc([H])c1,0.24, 0.4530644578078464),21706,TRUE
CCN([C@H](C(=O)[C@H](C=O)CC(C)C)[C@@H](C)O)C(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.09184438807007182),21713,TRUE
[H]C([H])[C@H](NC(=O)[C@@H](N)C(C(C)C)[C@H]1COC(=O)C1C)C(=O)C=O,0.24, 0.3776077420162324),21720,TRUE
CC[C@H](C)NC(=O)/C=C/[C@@H](N)Cc1ccc2c(OC(=O)/C=C/C(C)(N)Nc3ccc(N)cc3)nc3ccccc3c2c1,0.24, 0.05810178160934367),21727,TRUE
Cc1cc(O)ccc1Nc1cc(Cl)cc(Cl)c1-c1cc(O)cc(O)c1OC(=O)C(=O)[C@H](C)N,0.24, 0.14521486972060277),21734,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cccc(-c3cccc(O)c3)c12,0.24, 0.31569125699494505),21741,TRUE
Cn1nc(C2CCC2)cc1C(Oc1nc2ccccc2c2ccccc12)c1csc(C[C@H](N)C(=O)C=O)n1,0.24, 0.16926632701796215),21748,TRUE
CC(C)[C@H](NC(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)CC1CCCC1)[C@@H](O)C[C@@H](C)C=O,0.24, 0.27530457555936944),21755,TRUE
CC(C)CC(=O)N([C@@H](Cc1cccc(/C=C/C=O)c1N[C@@H](C)[C@@H](C)O)C(=O)C=O)[C@@H]1NC1c1cccc2[nH]ccc12,0.24, 0.1020950743458324),21762,TRUE
C=C[C@@H]1C[C@]1(N)NC(C)(/C=C/C(=O)N(C)c1ccc2c(O)ccnc2c1C)N1C[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.27654973157097207),21769,TRUE
Cc1nc2cc(CC(N)(/C=C/C(=O)N(C)C)Oc3nc4ccccc4c4cc(N[C@H](C=O)[C@H](C)O)ccc34)ccc2n1C,0.24, 0.0980936592171899),21776,TRUE
[H]c1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c2c1-c1ccc(F)cc1,0.24, 0.3244170200000997),21783,TRUE
Cc1nnc(C(C)CC(NC(/C=C/C=O)CC2CCC2)Oc2nc3ccccc3c3ccccc23)cc1O[Na],0.24, 0.08173188233750135),21790,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1c(OC(C)(C)C)ccc2[nH]c(C(=O)N3CCCC3)cc12,0.24, 0.45164718894268296),21797,TRUE
CCc1cc(C#N)cc(CN[C@@H](Cc2ccc(N)cc2)C(=O)C(N)=O)c1,0.24, 0.49127847669760344),21804,TRUE
CC(/C=C/C(=O)N1CCNCC1)NC(=O)N[C@H](C(=O)Oc1nc2ccccc2c2ccccc12)C(C)(C)C,0.24, 0.2625622730747763),21811,TRUE
C[C@@H]1C(N(CC=O)[C@@H](CC2CC2)C(=O)C=O)C(=O)OC1C(F)(F)F,0.24, 0.36820801531650277),21818,TRUE
CC(NC1CCC1c1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccc(-c4ccccc4)cc3c2c1)C(=O)C(F)(F)F,0.24, 0.17153709531353215),21825,TRUE
CC(N)(/C=C/C=O)Sc1nc(-c2ccc(C=O)s2)cc(-c2nnc3n2CC(C2CCOC2=O)NC3)n1,0.24, 0.11047040036873557),21832,TRUE
CCCC1=C(O)OC(CC(N)(/C=C/C=O)N2CCCNC2=O)C(c2occ(-c3cccs3)c2O[Na])C1=O,0.24, 0.23790290710559914),21846,TRUE
CC(/C=C/C=O)NCc1cn(C)cc1CN1C(=O)C(=O)c2cc(F)cc(CS(=O)C3=[SH]c4ncccc4N3)c21,0.24, 0.11985129054951829),21853,TRUE
CC(N)(/C=C/C(=O)NC1CCCC1CN1C(=O)C(=O)c2cc(F)ccc21)c1nnc(S)n1-c1ccccc1C(=O)O,0.24, 0.1802915248511905),21860,TRUE
CC(N)(/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(/C=C/C(=O)N[C@@H](CO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1C=O,0.24, 0.07271854668053707),21867,TRUE
CC(C)c1ccccc1-c1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccc(CC4C(=O)OC[C@@H]4C)cc3c2c1,0.24, 0.19714035849722325),21874,TRUE
Cc1cc(O)ccc1C(N)(Cc1ccccc1O)C(=O)C(N)=O,0.24, 0.608709575549124),21881,TRUE
[H]N[C@@H](Cc1cc(Oc2nc3ccccc3c3ccccc23)cc2[nH]c(C=O)cc12)C(=O)C=O,0.24, 0.2249081215323805),21888,TRUE
N[C@@H](Cc1ccc(F)cc1Cl)C(=O)C=O,0.24, 0.6217420449316793),21895,TRUE
CC(N)/C=C/C(=O)N(c1cc(=O)c2c(O)cc(O)cc2o1)C(C)(C(=O)C(F)(F)F)c1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.17428899976001994),21902,TRUE
Cc1noc(C)c1-c1cc(Nc2ccccc2)cc2c1nc(OC1C(=O)OC[C@@H]1CC(N)/C=C/C=O)c1ccccc12,0.24, 0.09911220812700436),21923,TRUE
CC[C@@H](C)[C@@H](C=O)Nc1cccc2c1nc(OC(C)(/C=C/C=O)NCc1cscn1)c1ccccc12,0.24, 0.11417630161685079),21930,TRUE
CC[C@H](C)c1cc(C(=O)N(C(=O)c2cc3ccccc3[nH]2)C(C)(/C=C/C=O)N[C@H](C=O)[C@H](C)CC)sc1Cl,0.24, 0.11728340875529573),21937,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccc(Cl)cc1Cl,0.24, 0.6483546181148963),21944,TRUE
NC(/C=C/C=O)(c1ccc(O)c(O)c1)C(Nc1ccccc1Cl)(c1c(O)c(Cl)cc(Cl)c1Cl)[C@H]1CN1,0.24, 0.07118431129206995),21951,TRUE
C[C@H]1O[C@H](N[C@@H](CC2CC[C@@H]3C(N[C@H](C=O)CO)N[C@H](C(C)(N)/C=C/C=O)C[C@H]3C2)C(=O)C(F)(F)F)C[C@H]2CCCC[C@@H]21,0.24, 0.1656995653732015),21958,TRUE
C=C[C@@H]1C[C@]1(N)C[C@H](N)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.5626361007750391),21965,TRUE
NC(/C=C/C=O)Cc1nnccc1N1C(=O)NCCC1Oc1nc2cc(-c3ccc(C=O)o3)ccc2c2ccccc12,0.24, 0.15281127482664025),21972,TRUE
[H]C(c1cc(O)c(O)cc1[H])[C@H](N[H])C(=O)C=O,0.24, 0.3599539503726167),21979,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cccc(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)c2c2ccccc12,0.24, 0.23327763825060466),21986,TRUE
[H]Cc1onc(C)c1C1([H])OCC[C@@H]1OC(=O)C(=O)[C@H](C)N,0.24, 0.6357811954106986),21993,TRUE
CC1C(=O)OC[C@@H]1N[C@H](C(=O)C=O)C(c1cccnc1)C1CCC(Oc2nc3ccccc3c3ccccc23)C1,0.24, 0.14490444906076544),22000,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2cc(-c3ccc(O)c(O)c3)ccc12)(Cc1cc(F)c(F)cc1F)Nc1ccccc1,0.24, 0.03505015130199432),22007,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc12)CC1CCC1,0.24, 0.12864706061319425),22014,TRUE
CC(CC(=O)N(C(=O)[C@H](N)CC(C)(C)Oc1nc2ccccc2c2ccccc12)C(C)/C=C/C=O)C[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0.24, 0.13166501406728473),22021,TRUE
CC(C)CN[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)C(=O)NS(=O)(=O)C1CC1,0.24, 0.4378996341151376),22028,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2c(-c3cccc4cc[nH]c34)cccc12)NCC(O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O,0.24, 0.07476134868488248),22042,TRUE
CC(C)(C)N[C@@H](Cc1cc(B(O)O)cc([N+](=O)[O-])c1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.08025138476891557),22049,TRUE
N[C@@H](Cc1ccc2[nH]c(-c3ccccc3Cl)cc2c1-c1coc2cc(O)cc(O)c2c1=O)C(=O)C=O,0.24, 0.19964725263361846),22056,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)NC(=O)/C=C/C(N)(O[Na])C(c1ccc(N)cc1)c1cccc2ccccc12,0.24, 0.1064152296055091),22063,TRUE
C[C@H](N)/C=C/C(=O)N(c1ccccn1)c1cccc2c(OC(=O)NC(C)(N)/C=C/C=O)nc3ccccc3c12,0.24, 0.13585519847519456),22070,TRUE
CCCCC1CCCC2CCN(C(=O)C(=O)[C@@H](N)Cc3oc4cc(O)cc(O)c4c(=O)c3O)CC12O,0.24, 0.35423693203954415),22077,TRUE
N[C@@H](Cc1cc(-c2ccc3[nH]c(C=O)cc3c2)c2[nH]cnc2c1)C(=O)C=O,0.24, 0.35922258544625024),22091,TRUE
N[C@@H](C[C@H]1NCCNC1c1cccc(=O)o1)C(=O)C(=O)Oc1nc2ccc(-c3cccc4cc[nH]c34)cc2c2ccccc12,0.24, 0.12342725301539881),22098,TRUE
CC1C(=O)OC[C@@H]1Cc1cc(C#N)cc(CNC(C)(/C=C/C(=O)Oc2cccnc2)c2ccc(OC(C)(C)C)o2)c1,0.24, 0.26313472934346416),22105,TRUE
CC(/C=C/C=O)(NCc1csc(N)n1)c1cc(NC(C=O)N(C(=O)c2cnccn2)c2ccccc2)cc(Cl)c1Cl,0.24, 0.11636397226585804),22112,TRUE
CC[C@@H](C)CC(=O)N[C@@H](Cn1ccc2nc(C3(c4cccc(Cl)c4)CC4CCCCC4CN3)nc-2c1)C(=O)C=O,0.24, 0.27182444721474786),22119,TRUE
N[C@H](C(=O)C=O)C(Oc1nc2ccccc2c2ccccc12)c1cccc(-c2cccc(-c3nc4ccccc4c4ccccc34)c2[N+](=O)[O-])c1,0.24, 0.053088568433377094),22126,TRUE
Cc1cccc2c(N[C@@H](C)[C@@H](O)[C@H](O)[C@@H](N)Cc3ccccc3C3Cn4c(nnc4CC(N)/C=C/C=O)CN3)ccnc12,0.24, 0.10608858311120081),22133,TRUE
CCCCNC(C)(/C=C/C=O)N[C@H](C=O)CCCC(=O)NCc1ccc(-c2cc(B(O)O)cc([N+](=O)[O-])c2)nc1,0.24, 0.03412398842374504),22140,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](C)C(=O)c1ncc(-c2cccc3c2[nH]cc3)s1,0.24, 0.45231114222253266),22147,TRUE
CC(NC(C)(/C=C/C=O)N[C@H](C=O)C(CCCN)Oc1nc2ccccc2c2ccccc12)C(C)(O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1,0.24, 0.07167370740165477),22154,TRUE
CC(N)/C=C/C(=O)N[C@H](C(=O)Oc1nc2c(-c3ccno3)ccc(-c3c[nH]cn3)c2c2ccccc12)[C@@H](C)O,0.24, 0.13476025317883783),22161,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C=O)C(CCCN)Oc1nc2ccc(CN)c(NC(C)(C)C)c2c2ccccc12,0.24, 0.13547890372335855),22168,TRUE
Cc1cc(Cl)cc(C[C@H](N)C(=O)C(=O)Nc2ccc(-c3ccccc3CC(N)C(=O)C(F)(F)F)cc2)c1,0.24, 0.35411152749997693),22182,TRUE
Cc1nc(Nc2ccccc2C2Cn3c(nnc3CC(N)/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)CN2)cs1,0.24, 0.11955748336352766),22189,TRUE
C[C@H]1O[C@@H](Oc2c(C[C@H](N)C(=O)C(=O)Nc3ccc(N)cc3)cc(O)c(O)c2-c2cc3ccccc3s2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.08186193708901028),22196,TRUE
Cc1nc2cc(-c3cc(C[C@H](NC(=O)C(=O)[C@H](C)N)[C@@H](O)[C@H](O)[C@H](C)N)ccc3/C=C/C=O)ccc2n1C,0.24, 0.1397393655808528),22203,TRUE
C[C@@H](O)C(N[C@H](C=O)CCC=O)[C@H](C=O)Cc1ccc2nc(C(=O)NC(C)(/C=C/C=O)Oc3ccc(C4CC4)cc3)[nH]c2c1,0.24, 0.09720450844426569),22210,TRUE
[H]C1CCC[C@@H]2C[C@@H](C)N(C(c3cccc4[nH]ccc34)[C@H](N)C(=O)C=O)C[C@@H]12,0.24, 0.6281952295407245),22217,TRUE
C[C@H](N)C(=O)C(=O)NC1CCCC(C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)N)C1Nc1nc2ccc(NC(=O)c3cccs3)cc2[nH]1,0.24, 0.13158469173479198),22224,TRUE
C=C(C(=O)c1cccc2c1nc(OC(=O)/C=C/C(C)N)c1ccc(-c3cccnn3)cc12)C(C)c1ccnc(S)n1,0.24, 0.06471899729710297),22231,TRUE
CSC(C)(/C=C/C=O)N(C(=O)c1cccs1)C(=O)[C@@H](CO)N(C(=O)c1cnc(C)cn1)C(=O)C(C)N,0.24, 0.2559630346934409),22238,TRUE
CC(C)[C@H](NC(=O)/C=C/C(C)(N)[C@@H]1CCCN1)[C@@H](O)C(Oc1nc2ccccc2c2ccccc12)[C@@H](C)C=O,0.24, 0.16913869927488218),22245,TRUE
C[C@H](N)C(=O)NN(CCC(N)=O)C(=O)c1ccc2c(OC(=O)/C=C/C(C)(N)Nc3ccc(N)cc3)nc3ccccc3c2c1,0.24, 0.03884198325768596),22259,TRUE
C[C@H](Nc1cccc2c1nc(OC(=O)/C=C/C(C)(N)NS(=O)(=O)C1(C)CC1)c1ccccc12)[C@@H](C)O,0.24, 0.14812483996165748),22266,TRUE
COC(/C=C/C=O)(NC(OC(C)C)C(C)C)C(Oc1cccc2[nH]c(C=O)c(-c3cccnn3)c12)c1nc(C)cs1,0.24, 0.11470618230713076),22273,TRUE
[H]C(=O)C(=O)[C@@H](N)CC1(c2cccc(-c3ccc(Br)cc3)c2)CC(=O)C(CCC)=C(O)O1,0.24, 0.42447143792667563),22280,TRUE
C[C@H](N)C(=O)C(=O)Nc1nc2cccc(Oc3nc4c([C@H]5CO5)ccc(C5CCCC5)c4c4ccccc34)c2[nH]1,0.24, 0.13937329123208383),22287,TRUE
CC(N)(/C=C/C=O)c1ccc(O)cc1Oc1nc2c(N3CCOCC3)ccc(-c3ccc(Cl)cc3Cl)c2c2ccccc12,0.24, 0.11057009426965185),22294,TRUE
N#Cc1cc(C[C@H](N)C(=O)C(N)=O)cc(-c2ccccc2)c1,0.24, 0.8054540841317617),22301,TRUE
Cc1ccc(-c2ccc(C[C@H](N)C(=O)C=O)c([N+](=O)[O-])c2-c2c(O)c(Cl)cc(Cl)c2Cl)cc1C=O,0.24, 0.13010645003284926),22308,TRUE
CC(=O)N(C(=O)[C@@H](N)CC(C)C)[C@@H](Cc1oc2cc(O)cc(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.3235462545859905),22315,TRUE
CC(N)/C=C/C(=O)Oc1nc2cccc(OC(C)(C)Cc3coc4cc(O)cc(O)c4c3=O)c2c2ccccc12,0.24, 0.14552771525675054),22329,TRUE
CCc1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1cc(NC3CC3)ccc12,0.24, 0.3886382565962171),22336,TRUE
C=C(CC)C(=O)c1cccc(-c2cc3c(N[C@@H](C)C=O)c(C[C@H](N)C(=O)C=O)ccc3[nH]2)c1N[C@H](C=O)CCCCN,0.24, 0.04985741868854196),22343,TRUE
C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)C(=O)Oc1nc2ccc(-c3oc4cccc(O)c4c(=O)c3O)cc2c2ccccc12,0.24, 0.06828475883556988),22350,TRUE
CC[C@H](C)c1cc(C(C)(/C=C/C=O)NC(C=O)c2nnc3n2CC(NC(C)(C)CC)NC3)cc2nc[nH]c12,0.24, 0.2112915778586067),22357,TRUE
C=C[C@@H]1C[C@]1(N)C(c1oc2cc(O)c(Oc3nc4ccccc4c4ccccc34)c(O)c2c(=O)c1O)[C@H](N[C@H]1COC(=O)C1)C(=O)C=O,0.24, 0.048215963777406605),22364,TRUE
CC(N)/C=C/C(=O)N[C@@H](C)C(=O)NN(C=O)C(CC(N)=O)c1cncc(CN2C(=O)C(=O)c3cc(C#N)ccc32)c1,0.24, 0.11345022281332098),22378,TRUE
C[C@H]1O[C@@H](OC(=O)/C=C/C(C)(N)N2C[C@@H]3[C@H](C2Oc2nc4ccccc4c4ccccc24)C3(C)C)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.20003513049717175),22385,TRUE
NC(=O)C(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1,0.24, 0.405497648322083),22392,TRUE
C[C@H](N)C(=O)C(=O)Nc1cc(Cl)c(N2CCC3CCCCC3C2)c(Cl)c1OC(C)(C)C,0.24, 0.5892371892357562),22399,TRUE
[H]C(=O)C(=O)[C@H](C)NCc1ccc([N+](=O)[O-])cc1,0.24, 0.34192680212707227),22420,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3ccc(F)cc3Cl)c(-c3cccs3)ccc12,0.24, 0.17005836855404508),22427,TRUE
N[C@@H](C[C@@H]1C(Nc2ccccc2)[C@H]1NC(=O)/C=C/c1ccccc1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.09456836399423484),22434,TRUE
CCCC(c1ccnn1Cn1nnc2ccccc21)[C@@H](C=O)NC(=O)/C=C/C(C)(N)c1ccc(O)c(O)c1Cc1cccnn1,0.24, 0.08780780692167364),22462,TRUE
CC1CCN(c2ccc(-c3ccc(NC(=O)C(=O)[C@H](C)N)cc3)cc2)C(c2ccc(/C=C(\N)C=O)o2)C1,0.24, 0.23893907352565205),22469,TRUE
[H]N[C@@H](C[C@H]1COC(=O)C1N[C@@H](C)C(=O)C=O)C(=O)C=O,0.24, 0.2902419510699021),22483,TRUE
CC(/C=C/C=O)N(C(=O)C(=O)[C@H](C)NC(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O)C(=O)c1sc(Cl)cc1-n1ccnn1,0.24, 0.09769551340952734),22490,TRUE
CCC1(c2ccc(-c3cccc(Cl)c3Cl)nn2)OCC[C@@H]1OC(=O)/C=C/C(C)NCc1oc(=O)oc1C,0.24, 0.2920268026451567),22497,TRUE
C[C@H](NCc1csc(NC(=O)c2cc(CC=O)c3ccccc3n2)n1)C(=O)C=O,0.24, 0.4086737340470985),22504,TRUE
Cc1csc(C2(Oc3nc4c(N5CCn6cnnc6C5)cccc4c4ccccc34)O[C@H]2N[C@@H](C)C(=O)C=O)n1,0.24, 0.1320265318846441),22511,TRUE
[H]Oc1ccc(C(N[C@@H](C)C(=O)C=O)[C@@H]2C[C@H]3CCCC[C@@H]3C(CC)N2)cn1,0.24, 0.5024855134270169),22518,TRUE
[H]c1[nH]c2ccc(C[C@H](N)C(=O)C=O)cc2c1-c1ccc(O)cc1,0.24, 0.4969818075414877),22525,TRUE
CC(C)C(=O)N(c1oc2cc(O)cc(O)c2c(=O)c1O)C(C)(/C=C/C=O)N[C@H](C=O)CCCC(N)=O,0.24, 0.1590309834571235),22539,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3cnc(C(=O)[C@H](C)N)s3)cccc12,0.24, 0.198688888174681),22546,TRUE
[H]c1c(C[C@H](N)C(=O)C=O)c(Cl)cc(Cl)c1On1nnc2cc(-c3ccnn3C)ccc21,0.24, 0.33349856689252233),22553,TRUE
C[C@H](NCc1ccccc1N)C(=O)C(=O)N1C[C@H]2CC(Oc3cccc4[nH]c(C=O)cc34)(c3ccoc(=O)c3)CC[C@@H]2C[C@H]1C,0.24, 0.1418219998608032),22560,TRUE
[H]c1cccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c12,0.24, 0.45474966002437955),22567,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1nc2c(N[C@H]3c4ccccc4C[C@H]3O)cccc2c2ccccc12,0.24, 0.24733333457801254),22581,TRUE
CCCC1=C(O)OC(C(c2cccc(N)c2)([C@H](O)CN[C@@H](C)C(=O)C=O)[C@@H](C)C=O)CC1=O,0.24, 0.2054709755651695),22588,TRUE
N#Cc1ccc2c(c1)C(=O)C(=O)N2Cc1nc(Oc2nc3ccccc3c3ccccc23)sc1C[C@H](N)C(=O)C=O,0.24, 0.1686771943685331),22595,TRUE
CC(N)/C=C/C(=O)N(C(=O)[C@@H](N)CO)[C@@H](Cc1ccc(Br)cc1)C(=O)C(Oc1cccnc1)C1CCCCC1,0.24, 0.31474257494156194),22602,TRUE
CC(OC(C)(C)C(=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC(=O)/C=C/C(C)(N)N[C@H](C=O)CCCC(N)=O)cn1,0.24, 0.04869801534580774),22609,TRUE
[H]c1nn(C)c(CC[C@@H](C=O)NC(=O)C(=O)[C@H](C)N)c1-c1cc(O)c2c(=O)c(O)coc2c1,0.24, 0.27881614789439463),22623,TRUE
Cn1ccc(-c2ccccc2Cc2cc(O)c(-c3cccc([N+](=O)[O-])c3)cc2OC(C)(/C=C/C=O)NCc2ccccc2)c1,0.24, 0.052555120058225525),22630,TRUE
[H]N[C@@H](Cc1nc(C)cs1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.31887381182999597),22637,TRUE
CC(N)/C=C/C(=O)Oc1ocnc1C=Nc1cc(-c2cccc3ccccc23)ccc1CS(=O)C1=[SH]c2ncccc2N1,0.24, 0.06676478524152193),22644,TRUE
CC(C)c1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c2c1-c1c[nH]c(-c2ccccc2-n2nnc3ccccc32)n1,0.24, 0.12745007721383184),22651,TRUE
CC(N)/C=C/C(=O)N[C@H](C=O)[C@H](O)Cc1cc(Cn2[nH]c(=O)c3ccccc3c2=O)cc(-c2cccc(/C=C/C=O)c2)c1,0.24, 0.1472130044104435),22658,TRUE
NC(c1cc2ccccc2s1)[C@H](N)C(=O)C=O,0.24, 0.623907529281576),22665,TRUE
CCCC1(c2ncc(OC(CC=O)[C@H](NC(=O)/C=C/C(C)N)C(C)=O)cc2Br)CCCC1,0.24, 0.3285680420123318),22672,TRUE
CCCC[C@@H](C(=O)Oc1nc2ccccc2c2ccccc12)N(C(=O)C(=O)[C@H](C)N)C(=O)c1cc2c(O)cccc2[nH]1,0.24, 0.13253588582971004),22679,TRUE
CC(N)/C=C/C(=O)N1C(=O)NCCC1c1ccc(O)cc1Oc1cnc(C2CCC2)c(Br)c1,0.24, 0.488161923999625),22686,TRUE
C[C@H](N[C@@H]1C[C@H]2CCC(C3CC4CCCCC4CN3)C[C@@H]2CN1C1C(=O)OC[C@@H]1C)C(=O)C=O,0.24, 0.34818370117676284),22693,TRUE
C[C@H](N)C(=O)C(=O)On1nnc2cccc(Oc3nc4ccc(-c5ccccc5N)cc4c4ccccc34)c21,0.24, 0.14413601320946087),22700,TRUE
CCOc1cc(NC(=O)/C=C/C(C)(N)Nc2onc(C)c2[N+](=O)[O-])cc(C[C@@H](N)CC=O)c1C(F)(F)F,0.24, 0.10473371906849324),22707,TRUE
[H]c1ccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c2c1-c1ccc2c(O)ccnc2c1C,0.24, 0.2357522434649726),22714,TRUE
CSC(N)(/C=C/C=O)C(c1ccc2[nH]c(C=O)cc2c1)n1[nH]c(=O)c2c(-c3oc4cccc(O)c4c(=O)c3O)cccc2c1=O,0.24, 0.09472622396487734),22721,TRUE
CNc1c(O)cc2oc(C(Oc3nc4ccccc4c4ccccc34)C(N)/C=C/C=O)c(O)c(=O)c2c1O,0.24, 0.09324577808739469),22728,TRUE
CC[C@H](C)NC(=O)/C=C/C(N)C(c1c(C)cc(-c2cccc(Oc3ccc(O)cc3)n2)cc1C)n1ccnn1,0.24, 0.2522273884382986),22735,TRUE
CC(/C=C/C=O)(NCCC(=O)O)c1ccc(C[C@H](N)C(=O)NN(CCC(N)=O)C(=O)Nc2ccccc2Cl)c(=O)o1,0.24, 0.10209885628149695),22742,TRUE
[H]C(=O)[C@@H](Nc1ccc(-c2cccc3c(OC(=O)C(=O)[C@H](C)N)nc4ccccc4c23)c(C)c1)[C@H](C)CC,0.24, 0.1412736685992966),22749,TRUE
N[C@@H](Cc1c(O)c(Cl)c(-c2cccc3cc[nH]c23)c(Cl)c1Cl)C(=O)C=O,0.24, 0.3338706831504835),22763,TRUE
CC[C@H](C)Nc1cccc2nc(OC(=O)C(=O)[C@H](C)N)c3ccccc3c12,0.24, 0.39482544424434574),22770,TRUE
Cc1ccc(C[C@H](N)C=O)cc1C(C)(/C=C/C=O)N(C(=O)/C=C/c1ccccc1)C(=O)c1ccc2ccccc2n1,0.24, 0.22269747718717622),22777,TRUE
C[C@H]1O[C@@H](C[C@H](NCC[C@H](N)C=O)C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.19743843076853848),22784,TRUE
Cc1ccc(C(F)(Nc2ccc(N)cc2)C(=O)c2ccco2)c(C)c1C[C@H](NC(=O)C(=O)[C@H](C)N)[C@@H](O)[C@H](O)[C@H](C)N,0.24, 0.06692781135250804),22791,TRUE
Cc1noc(C)c1N(C(=O)/C=C/C(C)(N)N(c1cccc([N+](=O)[O-])c1)C(C)(C)C)[C@@H](C)C(=O)C(F)(F)F,0.24, 0.2287975011675884),22798,TRUE
N[C@@H](Cc1ccc2[nH]cnc2c1-c1ccc(O)cc1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.1711589907921251),22812,TRUE
COC(=O)C(=O)[C@H](C)NCc1ccc([N+](=O)[O-])cc1,0.24, 0.3539432722300312),22819,TRUE
[H]Nc1cc(Cl)ccc1C[C@H](N)C(=O)C(=O)N1Cc2nncn2CC1c1cc(O)c(O)c(O)c1,0.24, 0.2040710210339938),22833,TRUE
CC(c1ccccc1[N+](=O)[O-])[C@H](C)NC(=O)C(=O)[C@H](C)NCc1ccc(C(F)(F)F)c(C#N)c1,0.24, 0.3218584509195032),22840,TRUE
CCC(CN(C1CC1)C(C)(/C=C/C=O)NC(=O)[C@@H](NC1CCC1)[C@H](C)CC)c1cc(O)c(O)c(O)c1,0.24, 0.11338609375656052),22847,TRUE
CC(/C=C/C(=O)Oc1nc2c(C[C@@H](C=O)C[C@H](O)[C@@H](N)C(C)C)cccc2c2ccccc12)N[C@@H]1C[C@H]2CCCC[C@@H]2CN1,0.24, 0.09855458739437425),22854,TRUE
Cn1ccc(CC(=O)n2ccc3cc(CC(N)(/C=C/C=O)Nc4ccc(-c5ccccc5)cc4)ccc32)c1,0.24, 0.1562991966580858),22861,TRUE
CC(=O)N(C(=O)c1cc2cc(F)ccc2[nH]1)C(C)(/C=C/C(=O)Oc1cccc(C)c1)[C@H]1NCCNC1CN,0.24, 0.21347883278922422),22868,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2cccc(NS(=O)(=O)C3(C)CC3)c12,0.24, 0.35124934994350365),22882,TRUE
[H]C(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)C(C#C)c1cc(O)c2c(=O)ccoc2c1,0.24, 0.3702812054186599),22896,TRUE
CC(/C=C/C(=O)N(c1c(O)c(Cl)cc(Cl)c1Cl)S(=O)(=O)C1CC1)NCc1cccc(Cl)c1-c1ccc2[nH]cnc2c1,0.24, 0.1310035295701498),22903,TRUE
C[C@H](NC1NCCN[C@@H]1CC(N)(/C=C/C(=O)Oc1ccc(O)cc1)c1nc2ccn(C)cc-2n1)[C@@H](C)O,0.24, 0.1367914620410048),22917,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(Nc3ccc([N+](=O)[O-])cc3Cl)cccc2c2cccc(Sc3ncccn3)c12,0.24, 0.0603734767012001),22924,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1c([H])cc(-c2cc(O)c(O)c(O)c2)c(O)c1C,0.24, 0.3139004442092815),22938,TRUE
CCCCc1cc(N[C@@H](C)[C@@H](C)O)c2nc(OC(=O)/C=C/C(C)(N)N[C@@H](C)C=O)c3ccccc3c2c1,0.24, 0.09453521141186275),22945,TRUE
Cc1cccc(C)c1-c1cc(C(C)(N)/C=C/C(=O)Oc2nc3cccc(OC[C@@H](N)C=O)c3c3ccccc23)oc1C=O,0.24, 0.09738024634550572),22959,TRUE
Cc1cnc(C(=O)N(c2cc(O)ccc2OC(C)(/C=C/C=O)NCc2oc(=O)oc2C)C(C)C=O)cn1,0.24, 0.22060925840823767),22966,TRUE
Cc1noc(NC(C(=O)[C@@H](N)C(C)C)[C@@H](C)C(=O)N[C@@H](C[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)C=O)c1[N+](=O)[O-],0.24, 0.0688850787721931),22973,TRUE
CC1C(=O)OC[C@@H]1Cc1cncc(OC(=O)C(=O)[C@H](C)NCc2ccc(N[C@@H](Cc3cccnn3)[C@@H](C)O)cc2)c1,0.24, 0.20808812136845792),22980,TRUE
CC(N)(/C=C/C=O)NC(C=O)c1cc2c(c(-c3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3Cl)c1)OCO2,0.24, 0.13916563191479486),22987,TRUE
CC(=O)c1oc(C(C)(N)/C=C/C(=O)N[C@H]2c3cc(N4CCC(C)CC4)ccc3C[C@H]2O)cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.0964709492611523),22994,TRUE
C[C@H]1O[C@H](NC(/C=C/C(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2Cc2c(F)cc(F)cc2F)Cc2ccon2)C[C@H]2CCCC[C@@H]21,0.24, 0.34066228412780164),23001,TRUE
CC1CCN(c2ccc(-c3ccc4c(nc(OC(=O)C(=O)[C@H](C)N)c5ccccc54)c3C[C@@H](N)CC=O)o2)CC1,0.24, 0.13790923191522428),23015,TRUE
[H]c1cc2cc(-c3nc(C(N[C@@H](C)C(=O)C=O)c4c(C)noc4C)cs3)ccc2[nH]1,0.24, 0.3569064294812408),23022,TRUE
CC[C@@H](C=O)N(C(=O)C(=O)[C@H](C)N[C@@H]1NC1Oc1nc2ccccc2c2ccccc12)c1nc2cc[nH]cc-2n1,0.24, 0.10565206629000967),23036,TRUE
[H]N[C@@H](Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)C=O,0.24, 0.5287429251820188),23043,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1c[nH]c2ccc(-c3ccc([N+](=O)[O-])cc3)cc12,0.24, 0.08071777877367496),23050,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2cccc(NS(=O)(=O)C3CC3)c12)N[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0.24, 0.1557523773180138),23057,TRUE
CC1CCN(C(=O)C(=O)[C@H](C)N)C(n2cc3c(c2)C(=O)C=CC3=O)C1C[C@H](N)C(=O)c1nccs1,0.24, 0.42871622635766665),23064,TRUE
Cc1csc(-c2cc3c(cc2-c2cc(F)cc(C[C@@H](N)CC=O)c2C[C@H](N)C(=O)C=O)nc(C)n3C)n1,0.24, 0.24170833735947886),23071,TRUE
N[C@@H](Cc1ccccc1)C(=O)C=O,0.24, 0.5320470866249443),23078,TRUE
Nc1ccc(CC(N)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)Oc2cncc(Br)c2)cc1,0.24, 0.08882535545993087),23092,TRUE
CCCNC(c1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1cc(-c3nnc4n3CCNC4)ccc12)[C@H](N)CC,0.24, 0.13235543086162543),23099,TRUE
CC(=O)[C@@H](N)Cc1ccnc(N[C@@H](CC(C)C)B(O)O)c1-c1cccc(S(=O)(=O)NC(C)/C=C/C=O)n1,0.24, 0.13306844071535337),23106,TRUE
CNc1cccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c12,0.24, 0.43434332520887786),23113,TRUE
Cc1cc([C@@H]2OC2Oc2nc3ccccc3c3ccccc23)cc2c(OC(N)(/C=C/C(=O)N3C[C@H]4[C@@H](C3)C4(C)C)Cc3cccc(O)c3)ccnc12,0.24, 0.06970907377140927),23120,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2cccc(CN3C(=O)C(=O)c4cc(C#N)ccc43)c12)NCc1cccc(C#N)c1,0.24, 0.10813082111430182),23127,TRUE
[H]C(=O)C(=O)[C@H](C)N(C(=O)C[C@H](N)Cc1c(C)cccc1C)C(=O)[C@@H](N)CC,0.24, 0.48621989263307),23134,TRUE
CNC(=O)N(C(=O)/C=C/C(C)N[C@@H](C)C=O)[C@H](C(=O)C([C@@H](C)C=O)n1[nH]c(=O)c2ccccc2c1=O)C(C)C,0.24, 0.2636493191600402),23141,TRUE
NC(/C=C/C(=O)N(c1cc(-c2ccc(Cl)cc2)co1)[C@H]1c2ccccc2C[C@H]1O)CC1CC2CCCCC2CN1,0.24, 0.30724929381076255),23148,TRUE
N[C@@H](Cc1cccnc1)C(=O)C(=O)Oc1nc2c(N3CCOCC3)cccc2c2ccccc12,0.24, 0.2680766674577007),23155,TRUE
CC(C)(C)[C@H](NC(N)(/C=C/C(=O)N1CCOCC1)Cc1cccc(N)c1)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.09277764435122034),23162,TRUE
Cc1ccc(C(/C=C/C=O)(C[C@H]2COC(=O)C2C)N(C(=O)CN)C(=O)[C@H](CC(C)C)C(=O)[C@@H](N)[C@@H](C)O)nn1,0.24, 0.1323694197754012),23169,TRUE
Cc1c(C(C[C@@H]2C[C@H]3CC(CO)CC[C@@H]3CN2)[C@@H](C=O)NC(=O)C(=O)[C@H](C)N)ccc2c(O)ccnc12,0.24, 0.2522689418575376),23176,TRUE
CC(C)(C)OC(C)(N)/C=C/C(=O)N(c1c(Cl)cccc1Oc1ccc(NC=O)nc1)[C@H](C=O)C(C)(C)C,0.24, 0.24891138565530915),23183,TRUE
C[C@@H](C=O)NC(=O)[C@@H](CC(=O)[C@@H](N)C(C)(C)Oc1nc2ccccc2c2ccccc12)Cc1ccc(O)cc1C[C@H](N)C(=O)C=O,0.24, 0.08664882938979669),23190,TRUE
CC(=O)[C@@H](N)CC(Sc1ncc(C#N)c(=O)[nH]1)(C(=O)NC(C)/C=C/C=O)n1c(N)nc2ccccc21,0.24, 0.12977181539636537),23197,TRUE
CC[C@@H](Cc1ccc(F)cc1)[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)N[C@H]1c2cc(N[C@@H](C)C(=O)c3nccs3)ccc2C[C@H]1O,0.24, 0.14590787652792492),23204,TRUE
CC(N)/C=C/C(=O)N(C(=O)/C=C/c1ccc(-c2cc(O)c3c(=O)ccoc3c2)cc1)[C@@H](C)C(=O)c1nccs1,0.24, 0.24898210117001895),23211,TRUE
CC[C@@H](C)[C@@H](C=O)Nc1c(C2CCCC2)c(Cl)cc(Cl)c1N(C(=O)/C=C/C(C)N)S(=O)(=O)C1(C)CC1,0.24, 0.2627001305536852),23218,TRUE
NC([C@H](N)C(=O)C=O)[C@H]1NCCC1c1c(F)cc(F)c(-c2ccccc2O)c1F,0.24, 0.42406139251614255),23225,TRUE
Cc1cccc(C)c1NC(/C=C/C=O)(Cn1nncc1-c1cc(O)c(O)c(O)c1)N[C@H](C=O)CCCCN,0.24, 0.0606343091868272),23232,TRUE
C[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)C(=O)N[C@H](C(=O)N(C(=O)C(=O)[C@@H](N)C[C@@H]1CCCN1)C1CC1)[C@@H](C)O,0.24, 0.16554184471887184),23239,TRUE
N[C@@H](CC1CCC(c2cc(=O)c3c(O)cccc3o2)C1)C(=O)C=O,0.24, 0.6397494393038385),23246,TRUE
CC[C@@H](C(=O)N[C@H](C=O)C(C)c1ccc(F)cc1Cl)N(C(=O)C(=O)[C@H](C)N)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.24292773323600816),23253,TRUE
Cc1ccc(-c2cc(B(O)O)cc([N+](=O)[O-])c2)c2c(CC(/C=C/C=O)NCCC(=O)O)cc(C(F)(F)F)nc12,0.24, 0.0932677130941298),23260,TRUE
C[C@H](N)C(=O)C(=O)Oc1ccc(O)cc1Oc1nc2c(Sc3ccccc3)cccc2c2ccccc12,0.24, 0.1212165102888895),23267,TRUE
C=C[C@@H]1C[C@]1(N)C1(c2ccc(Br)cc2)OCC[C@@H]1Oc1ccc2[nH]ccc2c1C(C)(N)/C=C/C=O,0.24, 0.21758364590030824),23274,TRUE
Cc1nc(-c2ccc(NC(C)(C)C)c3c(OC(=O)/C=C/C(C)N)nc4cc(-c5cncs5)ccc4c23)cs1,0.24, 0.13548592561838707),23281,TRUE
C[C@H]1O[C@H](CC(N)/C=C/C(=O)Oc2cccc3[nH]c(C=O)cc23)C[C@H]2C(c3cccc4ccccc34)CCC[C@@H]21,0.24, 0.11876681243533811),23288,TRUE
CNC1(C)CCN(C(C)(/C=C/C(=O)N2CCNCC2)NC(=O)[C@H](C)N)C(c2sc(SC)cc2C)C1,0.24, 0.30616631426852425),23295,TRUE
CC(N)/C=C/C(=O)Nc1cc(Oc2nc3ccccc3c3ccccc23)c([N+](=O)[O-])c(-c2nc(S)[nH]c(=O)c2C#N)c1Cl,0.24, 0.04585080756602387),23302,TRUE
[H]c1cc(C2CN(C(=O)[C@H](N)CC(C)C)CCN2C(N)(C(=O)C(C)=O)[C@@H](C)O)ccc1Cl,0.24, 0.5030788130472162),23309,TRUE
CC(N[C@@H](C)C(=O)NN(C=O)CCC(N)=O)[C@@H](C(=O)NC(C)(/C=C/C=O)OC(C)(C)C)N(Cc1ccn(C)c1)[C@@H](C)C=O,0.24, 0.07243797332334724),23323,TRUE
CC[C@H](NCc1cccc(Cl)c1-c1cccc2ccccc12)C(=O)NC(C)(/C=C/C=O)NC(C(=O)C(C)=O)[C@@H](C)O,0.24, 0.09831380109149039),23330,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc2ccc(Oc3nc4ccccc4c4cccc([C@H]5CN5)c34)cc2s1,0.24, 0.15591406503507926),23337,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(Cc1oc2cc(O)cc(O)c2c(=O)c1O)c1ccccn1,0.24, 0.12839701749484764),23344,TRUE
Cc1nc(-c2cc(Cl)cc(Cl)c2CC(/C=C/C=O)N[C@H]2CN2)sc1N[C@H](C=O)CCCCN,0.24, 0.13240700115576187),23351,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2c2ccccc12)c1ccccc1O,0.24, 0.09655961524916973),23365,TRUE
Cc1cccc2c(OC(=O)/C=C/C(C)N)cc(Nc3ccc(-c4ccccc4)c(Oc4nc5ccccc5c5ccccc45)c3)nc12,0.24, 0.09972339423004419),23372,TRUE
NC(Cc1cc(C[C@H](N)C(=O)C=O)c2cc[nH]c2c1)C(=O)C(F)(F)F,0.24, 0.5014942558817085),23393,TRUE
Cc1cnc(C(=O)N(C(=O)/C=C/C(C)(N)OC[C@@H](N)C=O)[C@H]2c3cc(N4CCOCC4)ccc3C[C@H]2O)cn1,0.24, 0.22302905156709693),23400,TRUE
N[C@@H](Cc1nnc2n1CC(Cc1ccc3c(c1)OCO3)(Oc1ocnc1C=Nc1ccccc1)NC2)C(=O)C(=O)O,0.24, 0.18726851422299956),23407,TRUE
[H]c1csc(C(=O)N[C@@H](C)C(=O)C(=O)N2C(c3ccc(C=O)o3)COCC2c2nnc3n2CCNC3)c1,0.24, 0.3474546764246256),23414,TRUE
C=C(CC)C(=O)c1c(O)c(CCCC(=O)O)cc(CC(N)(/C=C/C=O)N(C(C)=O)C(=O)[C@@H](N)CC)c1CC=O,0.24, 0.10305794468971433),23421,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc(-c2cccc([N+](=O)[O-])c2)c(Cl)cc1Cl,0.24, 0.36548448467605243),23428,TRUE
C[C@H](Nc1ccnnc1C(Oc1nc2ccccc2c2ccccc12)C(/C=C/C=O)NC(=O)[C@@H](N)CCCCN)C(=O)C=O,0.24, 0.04876384083085616),23435,TRUE
C[C@H](N)C[C@H](O)[C@H](C)Nc1cccc2c1c(OC(=O)C(=O)[C@H](C)NC(C)(C)C)nc1c(-c3ccc(C=O)o3)cccc12,0.24, 0.08629696316797046),23442,TRUE
Cc1cccc(C)c1OC(=O)[C@H](CC(C)(C)Oc1nc2ccccc2c2ccccc12)NC(=O)/C=C/C(C)N,0.24, 0.12860236745333103),23449,TRUE
C=C[C@@H]1C(c2ccc(O)cc2C)[C@]1(N(C(=O)[C@H](C)CC(=O)[C@@H](N)C(C)C)C(C)C)C(C)(/C=C/C=O)NC(C)=O,0.24, 0.19859916998930463),23456,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(NC(C)(C)C)c(N3C(=O)NCCC3c3ccc4cc[nH]c4c3)ccc2c2ccccc12,0.24, 0.11732999552504172),23463,TRUE
N[C@@H](Cc1cccc2[nH]c(C=O)c(-c3ccc(Oc4nc5ccccc5c5ccccc45)cc3)c12)C(=O)C=O,0.24, 0.15147607079292721),23470,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c([C@H]3CO3)ccc(N[C@@H](C)C(=O)c3nc(OP(=O)(O)O)cs3)c2c2ccccc12,0.24, 0.05276493113790501),23477,TRUE
C[C@H](N)C(=O)C(=O)Nc1ccc(-c2ccccc2)c(-c2ccccc2F)c1,0.24, 0.6736593219580134),23484,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc(CCC)c([N+](=O)[O-])cc1Oc1c(C)cccc1C,0.24, 0.3058721768953355),23491,TRUE
CC(/C=C/C=O)N(C(=O)/C=C/c1cc(CC[C@H](N)C(=O)O)c([N+](=O)[O-])c(C(F)F)c1)C(=O)CCc1ccc2cc[nH]c2c1,0.24, 0.10538708922842438),23498,TRUE
CCC(C)(C)Nc1c(Cl)cc(NC(=O)C(=O)[C@H](C)NCc2cccnc2)cc1Cl,0.24, 0.49672793570699425),23505,TRUE
CCCNC(=O)/C=C/c1ccc(C[C@H](N)C(=O)C=O)c(-n2ccnn2)c1-c1ccc2c(O)ccnc2c1C,0.24, 0.16652324879827124),23512,TRUE
[H]c1cc(O)cc(Cn2nccc2-c2cccc(C[C@H](N)C(=O)C=O)c2)c1,0.24, 0.5016806671820514),23519,TRUE
CC(C)[C@H](N)C(=O)C[C@H](C=O)Cc1cc(CN(CC=O)C(C)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)ccc1Cl,0.24, 0.07495520797847122),23526,TRUE
CCOc1c(F)c(F)c(-c2cccc3cc(-c4nc(C=Nc5ccccc5)c(O)o4)[nH]c23)c(F)c1C[C@H](N)C(=O)C=O,0.24, 0.08740681389061479),23533,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2c(C3(Sc4ncc(C#N)c(=O)[nH]4)C(=O)OC[C@@H]3C)cccc12,0.24, 0.1602636063089002),23540,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccc2[nH]ccc2c1,0.24, 0.5860996805754765),23547,TRUE
N[C@@H](C=O)COC(=O)C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1Sc1ccccc1)N[C@@H]1C[C@H]2CCCC[C@@H]2CN1,0.24, 0.11726548146467139),23554,TRUE
N[C@@H](Cc1cc(O)c(O)cc1-n1cc2C(=O)C=CC(=O)c2c1-c1ccccc1)C(=O)C=O,0.24, 0.30913133837827506),23561,TRUE
CNc1ccc(N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)c2c1c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.17868161178186395),23568,TRUE
CC(=O)C(=O)C(NC(=O)C(=O)[C@@H](N)C(Oc1ccc(O)cc1)c1ccc(C=O)s1)[C@@H](C)O,0.24, 0.2705553574231503),23575,TRUE
CC(C)C(Oc1nc2ccccc2c2ccccc12)[C@@H](N)C(=O)N(C(C)/C=C/C=O)[C@@H](CCc1ccccc1)C(=O)O,0.24, 0.12969611679386595),23582,TRUE
C[C@@H](O)C[C@H](C=O)Cc1cccc(NC(=O)/C=C/C(N)C[C@@H]2C[C@@H]3CCCC[C@@H]3CN2)c1-c1cccs1,0.24, 0.24711784374870588),23589,TRUE
Cc1cccc(-c2cc3ccccc3nc2C(=O)N2C[C@@H]2N[C@@H](C)C(=O)C=O)c1,0.24, 0.3997054560768169),23596,TRUE
CSc1c(N[C@H](C=O)[C@@H](C)O)c(C)c(C[C@H](N)C(=O)C=O)s1,0.24, 0.3448146978905909),23603,TRUE
CCCc1cccc2c1nc(-c1cc(C(C3CC3)[C@H](N)C(=O)C=O)cc3cc(C=O)[nH]c13)c1ccccc12,0.24, 0.1481933327998386),23610,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccc(-c3ccccc3O)cc2c2ccccc12)c1cc(=O)c2c(O)cc(O)cc2o1,0.24, 0.11946023781091482),23617,TRUE
NC(/C=C/C(=O)N(c1ccc(O)cc1)[C@H]1c2c(cccc2Oc2nc3ccccc3c3ccccc23)C[C@H]1O)Cc1cncc(Br)c1,0.24, 0.11472207621072004),23624,TRUE
C[C@H](O)[C@@H](C=O)N(C(=O)/C=C/C(C)(N)c1ccc(O)c(O)c1)C(=O)c1nccnc1Nc1ccccc1,0.24, 0.16393886859074924),23631,TRUE
Cn1ccc2nc(C(N)(/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)C[C@H]3NC[C@H]4[C@@H]3C4(C)C)nc-2c1,0.24, 0.18735246897285132),23638,TRUE
CC(/C=C/C=O)(NC[C@@H](O)[C@H](Cc1cccc([N+](=O)[O-])c1-n1ccnn1)NCc1csc(N)n1)c1cccc2cc[nH]c12,0.24, 0.0547304454989457),23645,TRUE
NC(=O)C(=O)[C@@H](N)Cc1coc2cc(O)c(-c3ccc(F)cc3)c(O)c2c1=O,0.24, 0.47513322361300747),23652,TRUE
NC(/C=C/C=O)C(Oc1nc2ccccc2c2ccccc12)(c1cc(B(O)O)cc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl,0.24, 0.05500303578172524),23659,TRUE
C[C@H](NC(Oc1nc2ccccc2c2ccccc12)c1csc(N)n1)C(=O)C(=O)N[C@H](C=O)[C@H](C)O,0.24, 0.10921753484002758),23666,TRUE
Nc1cc(C[C@H](N)C(=O)C=O)c2ccccc2c1C(=O)/C=C(\O)C(=O)O,0.24, 0.14118818657871163),23673,TRUE
CCC[C@H](NC1CC(C)CCN1C(=O)C(=O)[C@H](C)N)C(=O)C=O,0.24, 0.48057757439613474),23680,TRUE
NC(c1cc(B(O)O)cc([N+](=O)[O-])c1)[C@H](N)C(=O)C(=O)NC1CCCCC1,0.24, 0.16642804092943603),23687,TRUE
[H]N([H])[C@@H](Cc1ccc2c(O)ccnc2c1C)C(=O)C=O,0.24, 0.6270838285614353),23701,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3ccc4[nH]c(N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)cc4c3NC3CCCC3)cc12,0.24, 0.05386214290361541),23708,TRUE
CC(/C=C/C=O)N(CCc1ccccc1N)Cc1oc(=O)oc1Cc1ccc(/C=C(/C=O)NC(=O)[C@@H](N)CO)o1,0.24, 0.11996286513630482),23715,TRUE
NC(/C=C/C=O)(C[C@@H]1CC2(n3cc4c(c3)C(=O)C=CC4=O)CCCCC2CN1)c1ccc(C(=O)CF)o1,0.24, 0.31870591970143247),23722,TRUE
N[C@H](C(=O)C=O)C(c1c[nH]nn1)c1nnc(S)n1-c1ccccc1-c1ccccc1,0.24, 0.235222012312032),23736,TRUE
CC(=O)c1ccc(-c2cc(C=O)sc2C(c2ccc(C(=O)CF)o2)([C@H](N)C(=O)C=O)[C@@H]2NC2C)o1,0.24, 0.17445891360332458),23750,TRUE
N[C@H](C(=O)C=O)C(c1cc(O)c(O)cc1-c1cc(O)c(O)c(O)c1-c1ccccc1)c1c(F)cc(F)cc1F,0.24, 0.11575620133985699),23757,TRUE
[H]C[C@H](N)C(=O)c1ncc(-c2cc(Cl)ccc2-c2c(Cl)cccc2C[C@H](N)C(=O)C=O)s1,0.24, 0.2889952633684493),23764,TRUE
NC(=O)C(C[C@H](NC(c1oc2cc(O)cc(O)c2c(=O)c1O)C(N)/C=C/C=O)C(=O)C(F)(F)F)c1ccc(F)cc1Cl,0.24, 0.10554298658879298),23771,TRUE
CN(C)C(=O)/C=C/C(C)(c1ccn(Cc2ccccc2)c1)N(C(=O)CC[C@H](N)C=O)c1cncc(Br)c1,0.24, 0.28046624026038774),23778,TRUE
CC(/C=C/C(=O)N1CCNCC1)N(C(=O)c1cc2ccccc2[nH]1)C(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.16787469332635838),23785,TRUE
CCCC1=C(O)OC(C2CCC(NC(=O)/C=C/C(N)Cc3nnc4n3CC(Nc3ccc([N+](=O)[O-])cc3Cl)NC4)C2)CC1=O,0.24, 0.13911632833934784),23792,TRUE
[H]Oc1ccc2c(CN3C(=O)C(=O)c4cc(F)ccc43)c(C(=O)NC(=O)C(=O)[C@H](C)N)[nH]c2c1,0.24, 0.41824537030615755),23799,TRUE
[H]Oc1cc(O)cc(-c2ccc(Oc3nc4ccccc4c4ccccc34)cc2N)c1C[C@H](N)C(=O)C=O,0.24, 0.11222384968945866),23806,TRUE
CC1(C)[C@H]2CN(C(=O)C(=O)[C@@H](N)C(Oc3nc4ccccc4c4ccccc34)c3oc4cccc(O)c4c(=O)c3O)C[C@H]21,0.24, 0.19957112208064573),23820,TRUE
CC(/C=C/C=O)(NC(c1csc(N)n1)c1cc(=O)c2c(O)cc(O)cc2o1)n1cc2c(c1)C(=O)C=CC2=O,0.24, 0.20429432511083565),23827,TRUE
CCCC1=C(O)OC(CCCC(=O)O)(c2cccc3c2nc(OC(=O)C(=O)[C@H](C)N)c2ccccc23)CC1=O,0.24, 0.19464116224893885),23841,TRUE
[H]C1[C@@H](CNC(C)C(=O)C(=O)Nc2c(C)noc2C)O[C@H](C)[C@H]2CCCC[C@H]12,0.24, 0.7406267883428199),23848,TRUE
Cc1c(-c2ccc3nc(OC(=O)/C=C/C(C)(N)c4nnc(S)n4-c4ccccc4)c4ccccc4c3c2)ccc2c(O)ccnc12,0.24, 0.07956385800549433),23855,TRUE
CC(C)[C@H](NC(=O)C(=O)[C@H](C)N)[C@@H](O)C[C@@H](C)C(=O)Oc1nc2ccccc2c2c(-c3cc(O)c(O)c(O)c3)cccc12,0.24, 0.06899528605166742),23862,TRUE
Cc1csc(C(c2c(OCC(C)C)oc3c(-c4c[nH]cn4)c(O)cc(O)c3c2=O)[C@H](N)C(=O)C=O)n1,0.24, 0.19209010713678412),23869,TRUE
CC(N)(/C=C/C=O)c1ccc(-c2cc(-c3ccc4[nH]ccc4c3)c(O)c(Cl)c2Cl)c(Cl)c1Cl,0.24, 0.186059870216276),23876,TRUE
[H]C(N[C@@H](C)C(=O)C=O)[C@H]1O[C@H](C)C[C@H]2CCC(c3ccc([H])o3)C[C@H]12,0.24, 0.6402147557680161),23883,TRUE
C[C@H]1O[C@H](CNC(C)(/C=C/C=O)c2cc(=O)c3c(O)c(-c4ccc([N+](=O)[O-])cc4)ccc3o2)C[C@H]2CCCC[C@@H]21,0.24, 0.16110000755459347),23890,TRUE
[H]c1ccc(-c2cccc3c(OC(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)CC)nc4ccccc4c23)cn1,0.24, 0.24860045802030706),23897,TRUE
[H]NC(C1CC2C([H])CCCC2CN1)[C@H](N)C(=O)C=O,0.24, 0.46663107832172146),23904,TRUE
[H]Oc1ccccc1C1OC(=O)C(CC=O)(C[C@H](N)C(=O)C=O)[C@H]1C,0.24, 0.42711748333427685),23911,TRUE
CC(Oc1nc2c(N[C@H](C=O)CCC=O)cccc2c2ccc(N[C@@H](C)C=O)cc12)[C@@H](C=O)NC(C)(N)/C=C/C=O,0.24, 0.08269056407572159),23918,TRUE
CC(=O)C(=O)C(NC(C=O)OC(=O)/C=C/C(C)NCc1cc(C#N)ccc1-c1cccc(/C=C/C=O)c1)[C@@H](C)O,0.24, 0.09921661569412583),23925,TRUE
[H]C(=O)C(=O)[C@@H](N)CC1CC1,0.24, 0.43836800857664027),23932,TRUE
[H]Nc1cc([N+](=O)[O-])cc(Cl)c1N([H])C(=O)C(=O)[C@H](C)N,0.24, 0.32153713132601225),23939,TRUE
[H]Nc1cc(Nc2ccccc2)cc(C[C@H](N[C@H]2COC(=O)C2)C(=O)C=O)c1NC(=O)[C@@H](N)C(C)(C)C,0.24, 0.143174513913243),23946,TRUE
C=C(CC)C(=O)c1cc(-c2ccc3c(c2)c(OC(=O)/C=C/C(C)N)nc2ccccc23)c(Cl)cc1Cl,0.24, 0.11976171170177687),23960,TRUE
CC(N)(/C=C/C=O)c1c(CN2C(=O)C(=O)c3cc(F)ccc32)ccc2[nH]c(C=O)c(-c3cccs3)c12,0.24, 0.2198410474053359),23967,TRUE
Cc1oc(=O)oc1CN([C@H](C(=O)O)C(C)Oc1ccc(O)cc1-c1ccccc1)C(C)(/C=C/C=O)OC(C)C,0.24, 0.18080015819742323),23974,TRUE
CC(C)COC(=O)CC(Oc1nc2ccccc2c2ccccc12)[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)CF,0.24, 0.2150806540435071),23981,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cccc(-c3c[nH]nn3)c2c2c(-c3coc4cc(O)cc(O)c4c3=O)cccc12,0.24, 0.14322388082781967),23988,TRUE
CC(=O)[C@@H](N)Cc1c(CC(N)(/C=C/C=O)Nc2ccccc2)oc2c([C@H](C=O)C(C)C)c(O)cc(O)c2c1=O,0.24, 0.13108360627346738),23995,TRUE
CNc1coc(-c2cc(O)ccc2OC(C)(N)/C=C/C(=O)Oc2nc3ccccc3c3ccc(-c4cccc5[nH]ccc45)cc23)c1,0.24, 0.059337402246036626),24002,TRUE
C[C@H](NC(=O)/C=C/C(C)(N)NC1CCCCC1NS(=O)(=O)c1ccc(N)cc1)C(=O)c1ncc(-c2c(F)cc(F)cc2F)s1,0.24, 0.09076705411162041),24016,TRUE
Cc1nc(-c2c(C(C)(N)/C=C/C=O)ccc(O)c2-c2ccccc2[N+](=O)[O-])sc1N[C@H]1c2ccccc2C[C@H]1O,0.24, 0.09746020304785273),24023,TRUE
[H]Oc1cccc(C[C@H](N)C(=O)C=O)c1N,0.24, 0.27027127151320135),24030,TRUE
Cc1nc2cc(CC(C)NC(C)(/C=C/C=O)Oc3cnc(-c4ccc(F)cc4)c(Br)c3)ccc2n1C,0.24, 0.15907300863421528),24044,TRUE
CC1C(=O)OC[C@@H]1C(N[C@@H](C)C(=O)Oc1nc2ccccc2c2ccccc12)c1cc(O)ccc1C(C)(/C=C/C=O)NC(C)(C)C,0.24, 0.08583517159772579),24051,TRUE
CC[C@@H](C=O)Nc1cc(N(C2CCCC2)C(C)(N)/C=C/C=O)cc(-c2cc(O)c3c(=O)c(O)coc3c2)c1[N+](=O)[O-],0.24, 0.08514692979438918),24058,TRUE
CC(C)(C)Nc1cccc(-c2c(C[C@H](N)C(=O)C=O)ccc(F)c2[C@H](N)C=O)c1,0.24, 0.4640945308281674),24065,TRUE
CC(/C=C/C=O)(c1cccc2cc[nH]c12)N(C(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc2[nH]cnc2c1,0.24, 0.17722663501537902),24072,TRUE
C=C(CC)C(=O)c1cc(C(C)CCN(CC(C)C)C(C)/C=C/C=O)c(Oc2c(C)cc(CC)cc2C)cc1O,0.24, 0.14226410157295516),24079,TRUE
CC(N)/C=C/C(=O)N(C)C(Oc1nc2ccccc2c2c(N[C@H](C=O)[C@H](C)O)cccc12)c1cccc([N+](=O)[O-])c1,0.24, 0.06157133115776793),24086,TRUE
[H]N[C@@H](C)C(=O)C(=O)O[C@@H](C)[C@@H](C=O)N[C@@H](C)C(=O)Oc1ccnc2c(C)cccc12,0.24, 0.346517881763698),24093,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2c(-c3cccnn3)cccc12)c1ccc2[nH]c(C=O)cc2c1,0.24, 0.13087762572108508),24100,TRUE
N[C@@H](Cc1c(Cl)c(Cl)ccc1[C@H](N)C=O)C(=O)C=O,0.24, 0.5982230063170157),24114,TRUE
C=C(CC)C(=O)c1c(C(C)(N)/C=C/C=O)c(Oc2nc3ccccc3c3c(OC(C)(C)C)cccc23)coc1=O,0.24, 0.11217261906505363),24121,TRUE
Cc1ccc(CC(C)[C@@H](C=O)c2c(S(=O)(=O)NC(=O)C(=O)[C@H](C)N)ccc(N)c2-c2cncc(Br)c2)cc1,0.24, 0.18121097940853506),24128,TRUE
Cc1cc(C(F)(F)C(=O)c2ccc(Oc3nc4ccccc4c4ccccc34)o2)c(-c2cccc(O)c2)c(C)c1C[C@H](N)C(=O)C=O,0.24, 0.06907039732635427),24142,TRUE
Cc1cccc2c(OC(=O)C(=O)[C@H](C)N(Cc3ccc(Cl)cc3)C[C@H]3OCC[C@H]4CCCC[C@H]34)ccnc12,0.24, 0.25462026914226016),24149,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(Cc1ccccc1)NC(C=O)Cc1nc2cc[nH]cc-2n1,0.24, 0.07442120196260088),24156,TRUE
CC(C)(OC(=O)C(=O)[C@@H](N)Cc1cc(=O)c2c(O)cc(O)cc2o1)Oc1nc2c(C[C@@H](N)CC=O)cccc2c2ccccc12,0.24, 0.05573200072809738),24163,TRUE
Cc1c(Oc2nc3ccccc3c3ccccc23)ccc2c(OC(=O)/C=C/C(C)NC(C)(C)C)ccnc12,0.24, 0.14854976915332546),24177,TRUE
C[C@H](N)C(=O)C(=O)Nc1c(Nc2ccccn2)cc(C(=N)N)cc1-c1ccc(C(F)F)c(/C=C/C=O)c1,0.24, 0.09177939670749699),24191,TRUE
CC[C@@H](N)Cc1ccnc(NC(N)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)Cc2nc3cc[nH]cc-3n2)c1,0.24, 0.07860814073158356),24198,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc(O)ccc1C([H])C=O,0.24, 0.5240752464596773),24205,TRUE
C[C@@H](C(=O)C=O)N(C(=O)c1nc2cccc([C@@H]3CC4CCCCC4CN3)c2[nH]1)C(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.1555955493665387),24212,TRUE
[H]OC(=O)C(=O)[C@@H](N)C[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0.24, 0.34183714344297955),24219,TRUE
CC[C@H](N)C(=O)N(c1ccc2nc(NC(N)(/C=C/C=O)Cc3ccc4[nH]cnc4c3)[nH]c2c1)c1onc(C)c1[N+](=O)[O-],0.24, 0.05073557114865737),24226,TRUE
[H]Nc1c(-c2cc(O)c(O)c(O)c2)ccc2c1nc(OC(=O)[C@H](CCCC(N)=O)NC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.04717187927880267),24233,TRUE
CC(C)Oc1cc2nc(OC(=O)/C=C/C(N)C[C@@H]3C[C@@H]4CCCC[C@@H]4CN3)c3ccccc3c2cc1-c1cccc(C#N)c1,0.24, 0.12877525033792175),24240,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1ccc(O)c(CN2C(=O)C(=O)c3cc(C#N)ccc32)c1,0.24, 0.4302632718398855),24254,TRUE
Cc1cccc(C)c1CC(/C=C/C=O)N[C@H]1NCC2CCC(c3cccc(O)c3C)CC2C1c1cccc2ccccc12,0.24, 0.15001029588389636),24261,TRUE
CC(/C=C/C(=O)Oc1nc2ccc(CC(NC(=O)c3ccc(Cl)o3)C(=O)C(F)(F)F)cc2c2ccccc12)NCC=O,0.24, 0.10916748043792356),24268,TRUE
C[C@H](NC(=O)/C=C/C(C)(NC(C1CC1)[C@@H](O)[C@H](C)N)Oc1nc2ccccc2c2ccccc12)C(=O)c1nc(N[C@@H](C)[C@@H](C)O)cs1,0.24, 0.04712620115814045),24275,TRUE
C[C@H](N)CCNC(/C=C/C=O)C(Oc1nc2ccccc2c2ccccc12)c1ccccc1Cc1ccccc1,0.24, 0.10888159642852999),24282,TRUE
COc1c(Cl)ccc2[nH]c(C(=O)N(C(=O)[C@@H](N)CO)[C@@H](C)C(=O)C=O)c(Nc3ccc(-c4ccccc4)cc3)c12,0.24, 0.16843646937139742),24289,TRUE
CC[C@@H](C=O)N(C(=O)c1cc2ccccc2[nH]1)C(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.09632582849956385),24303,TRUE
CC1CCN(C(=O)/C=C/C(N)(CC2C(=O)OC[C@@H]2C)OC(C)(C[C@@H]2CC3CCCCC3CN2)C(N)=O)CC1,0.24, 0.23565487263074186),24310,TRUE
[H]NC(=O)/C=C/c1cccc(CC(N)(O)/C=C/C(=O)N(C(=O)[C@@H](N)CC)C(C)C(=O)C(N)=O)c1,0.24, 0.14820738534115194),24317,TRUE
Cc1nc(CC(N)(/C=C/C(=O)Oc2nc3ccc(CCCC(=O)O)cc3c3ccccc23)N[C@H](C=O)CO)cs1,0.24, 0.06255572929534915),24324,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(CC=O)cccc12,0.24, 0.3307951636851365),24331,TRUE
CC(NC(N)(/C=C/C=O)Cc1c(-c2ccc([N+](=O)[O-])cc2)c(O)c(O)c(O)c1[C@H]1COC(=O)C1C)C(=O)C(N)=O,0.24, 0.03261567308451783),24338,TRUE
C[C@H](CC(=O)[C@@H](NC(C)(N)/C=C/C=O)C(C)(C)Oc1nc2ccccc2c2ccccc12)C(=O)Oc1cncc(Br)c1,0.24, 0.07019077657701393),24359,TRUE
CC(=O)[C@H](CCC=O)NC(C(C(=O)N[C@@H](C)C(=O)C(N)=O)[C@@H]1CC(C(F)F)CN1)[C@H](N)C(=O)CF,0.24, 0.11805877248221228),24366,TRUE
N[C@@H](Cc1c(O)c(=O)c2c(O)cc(O)cc2o1)C(=O)C(=O)O,0.24, 0.46363282457629185),24373,TRUE
[H]N([H])[C@@H](Cc1cc(O)c(O)c(O)c1)C(=O)C=O,0.24, 0.30946290498045514),24380,TRUE
NC(=O)CCN(C=O)NC(=O)[C@@H](N)Cc1cc(Cl)sc1C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)C=O,0.24, 0.09018012045108087),24387,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1nc2c(N3CCCC3)cccc2c2ccccc12,0.24, 0.4357886324798304),24394,TRUE
C[C@H](N)C[C@H](O)[C@@H](N)Cc1ccccc1CNC(C)(/C=C/C=O)c1cc2cc(C(F)F)[nH]c2cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.04623508903845694),24401,TRUE
N[C@@H](Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3ccc(O)c(Cl)c3Cl)cccc12,0.24, 0.13974186043781825),24415,TRUE
Cc1nc2cc(C[C@H](N)C(=O)C=O)c(Oc3nc4c(N5C[C@H]6CCCC[C@@H]6C[C@H]5C)cccc4c4ccccc34)cc2n1C,0.24, 0.13277058239093456),24422,TRUE
Cc1csc(C[C@H](N)C(=O)C(=O)Oc2nc3c(N4CCC5CCCCC5C4)cccc3c3ccccc23)n1,0.24, 0.20826458907392562),24429,TRUE
Cc1c(O)cccc1-c1cc(C[C@H](N)C(=O)C=O)sc1C=O,0.24, 0.6260205693887487),24436,TRUE
[H]NC(NC(C)C(=O)NC(=O)C(=O)[C@H](C)N)c1cccc(Cl)c1,0.24, 0.42451847953269506),24443,TRUE
C[C@@H](C(=O)C=O)N(c1c(CN)cc(-c2cc(B(O)O)cc([N+](=O)[O-])c2)c2ccccc12)C1(N)CC1,0.24, 0.0876251147521832),24450,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(-c3cc(B(O)O)cc([N+](=O)[O-])c3)ccc2c2ccc(-c3ccc(S(N)(=O)=O)nc3)cc12,0.24, 0.048049721517147315),24457,TRUE
CC(C)(C)NC(C)(/C=C/C(=O)Oc1nc2c(CS(=O)C3=[SH]c4ncccc4N3)cccc2c2ccccc12)C1CCC1C(=O)O,0.24, 0.06193023038205119),24464,TRUE
C#CC[C@@H](C=O)Nc1c(-c2ccco2)cc(OC(C)C)c2nc(OC(=O)/C=C/C(C)N)c3ccccc3c12,0.24, 0.09753114332759592),24478,TRUE
C[C@H]1O[C@@H](Oc2cccc3c2C[C@@H](O)[C@H]3Nc2cc(C#N)cc(C[C@H](N)C(=O)C=O)c2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.19692763224925744),24485,TRUE
NC(/C=C/C(=O)N[C@@H](CC(Oc1nc2ccccc2c2ccccc12)C(=O)O)C(=O)C(F)(F)F)Cc1cscn1,0.24, 0.18184055921755501),24499,TRUE
C[C@H]1COC(=O)C1C[C@H](N)C(=O)C=O,0.24, 0.3666151641530304),24506,TRUE
NC(/C=C/C=O)CC1C(Oc2nc3ccccc3c3ccccc23)CCC1c1nc(Cc2cccnn2)cs1,0.24, 0.1479759575035055),24513,TRUE
[H]c1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.45474966002437955),24520,TRUE
CC(N)(/C=C/C=O)Sc1nccc(-c2nnc3n2CC(Oc2nc4ccccc4c4ccccc24)NC3)n1,0.24, 0.08138658678189163),24527,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2cccc([H])c12,0.24, 0.45474966002437955),24534,TRUE
CC(C)COc1cc(CC(N)/C=C/C(=O)N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)N)c(-c2ccc3cc[nH]c3c2)cc1Cl,0.24, 0.1929657135653173),24541,TRUE
CCCc1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.4395218516520589),24548,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccc(Cl)cc1,0.24, 0.5966849636893405),24555,TRUE
Cn1ccc(CN[C@@H](Cc2nc3cn(C)cc(NC4CC4Nc4ccc([N+](=O)[O-])cc4Cl)c-3n2)C(=O)C(=O)OC[C@@H](N)C=O)c1,0.24, 0.04848777587737553),24562,TRUE
CC(N)/C=C/C(=O)N(C(=O)CC(C)C)[C@@H](CC(NC=O)C(=O)Nc1cc(C(=O)N(CCC(N)=O)NC(=O)[C@H](C)N)co1)C(=O)C(F)(F)F,0.24, 0.06713795732218376),24569,TRUE
Cc1ccccc1-c1nc(C=Nc2ccccc2C[C@H](N)C(=O)C=O)c(O)o1,0.24, 0.3711726599468289),24576,TRUE
CC(C)CC(=O)N(C(=O)CC[C@H](N)C(=O)CF)C(C)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.2271110748336665),24583,TRUE
CC(Nc1ccc(N)c(-c2ccc(S(N)(=O)=O)nc2)c1)OC(=O)/C=C/C(C)(N)N[C@H](C=O)CCC=O,0.24, 0.08163645570238208),24590,TRUE
CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)C=O)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.2905167038943503),24604,TRUE
C[C@H](NC(=O)/C=C/c1ccc2c(c1N[C@H](C=O)CC(CCN)Oc1nc3ccccc3c3ccccc13)OCO2)C(=O)C=O,0.24, 0.08501980048422546),24611,TRUE
CC(N)(/C=C/C(=O)Nc1c(Cl)ccc(Cc2ccccc2-c2cccnc2)c1-c1cccc2cc[nH]c12)NCC=O,0.24, 0.0931330235819256),24618,TRUE
CC(C)[C@H](NC(N)(/C=C/C=O)Cc1cccc(-c2cc(B(O)O)cc([N+](=O)[O-])c2)c1)C(=O)C[C@@H](C)C=O,0.24, 0.07311939591574065),24625,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccc(-c3oc4cccc(O)c4c(=O)c3-c3nc4cc[nH]cc-4n3)cc2c2ccccc12,0.24, 0.15066896991162143),24632,TRUE
CC(N)/C=C/C(=O)Oc1nc2c(N(C)C(=O)[C@H](CO)NCc3ccn(C)c3)cccc2c2ccccc12,0.24, 0.18305491290512726),24639,TRUE
Cn1cc2nc(C(N)(/C=C/C=O)Cc3cccc(C#N)c3)nc-2c(N[C@@H](CCC(=O)OCC(N)=O)C(=O)CF)c1,0.24, 0.14856342057895447),24646,TRUE
N[C@@H](Cc1ccccc1-c1ccc2[nH]cnc2c1)C(=O)C=O,0.24, 0.5549114447090273),24653,TRUE
CC[C@H](C)c1ccc(-c2ccc(O)c(Cl)c2Cl)c([N+](=O)[O-])c1C(C)(/C=C/C=O)N[C@H]1CN1C[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](C)O1,0.24, 0.0840649886550877),24660,TRUE
CC(C)[C@H](Nc1cc(C=O)sc1-c1c(Cl)cccc1C[C@H](N)C(=O)C=O)C(=O)C(Nc1nc2ccccc2[nH]1)[C@@H](C)C=O,0.24, 0.10857966509422437),24667,TRUE
[H]N(c1cc([N+](=O)[O-])cc(Cl)c1Nc1cnn(C)c1C[C@H](N)C(=O)C=O)[C@@H](C=O)CO,0.24, 0.16491130040846824),24674,TRUE
N[C@@H](Cc1ccc(-c2ccc3cc[nH]c3c2)c2cc(N(C(=O)c3cc4c(O)cccc4[nH]3)c3ccccc3)[nH]c12)C(=O)C=O,0.24, 0.10833171676636287),24681,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2c(N[C@@H](C)C(=O)c3nc(Nc4ccc(N)cc4)cs3)cccc12,0.24, 0.059782458846267386),24688,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3scnc3-c3ccc(Cl)cc3Cl)cc12,0.24, 0.1495644832253941),24695,TRUE
N[C@H](C(=O)C(=O)Nc1cc(NS(=O)(=O)C2CC2)ccc1Cl)C(c1cc(B(O)O)cc([N+](=O)[O-])c1)C1CCC1,0.24, 0.11513806468296438),24702,TRUE
[H]OC(=O)C(=O)[C@@H](N)Cc1cccc2cc(OC)cc(C[C@H](N)C(=O)C=O)c12,0.24, 0.4113908320858549),24709,TRUE
CC(=O)N[C@@H](C[C@@H]1CC2CCCCC2CN1C1CCCC1)C(=O)C=O,0.24, 0.5914386930951931),24716,TRUE
C[C@H](N)C(=O)c1ncc(CC2C(=O)OC[C@@H]2CC(N)(/C=C/C=O)Oc2ccccc2Oc2cccc3[nH]c(C=O)cc23)s1,0.24, 0.06670035849267676),24723,TRUE
N[C@@H](Cc1oc2cc(O)c(-c3ccc4c(O)ccnc4c3Cc3ccc(C(=O)CF)o3)c(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.09728136030624489),24730,TRUE
C[C@H](N)C(=O)C(=O)N(C(=O)/C=C/c1ccccc1)[C@@H](Cc1oc2cc(O)cc(O)c2c(=O)c1O)[C@@H](O)C(O)[C@H](C)N,0.24, 0.12486499836026492),24737,TRUE
[H]c1oc2cc(O)cc(O)c2c(=O)c1C[C@H](N)C(=O)C=O,0.24, 0.5224196562994474),24744,TRUE
CC(NC(c1cc(C#N)cc(C[C@H](N)C(=O)C(=O)NC2CCCCC2)c1)[C@@H](N)CC=O)C(=O)C(N)=O,0.24, 0.17378752346457765),24751,TRUE
CC[C@H](Nc1ccc(-n2c(S)nnc2C[C@H](N)C(=O)C=O)c(-c2ccc3c(c2)nc(C)n3C)c1)C(=O)O,0.24, 0.13957881657120505),24758,TRUE
N[C@@H](Cc1cc2ccccc2s1)C(=O)C(=O)N1C(=O)NCCC1C[C@H](N)CCC=O,0.24, 0.4058006614533133),24765,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(Nc3ccc(Cl)cc3)cc(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)c2c2ccccc12,0.24, 0.09775110681225202),24772,TRUE
CC(/C=C/C=O)(N[C@@H]1C[C@H]2CCCC[C@@H]2CN1[C@@H]1OC1N[C@H](C=O)CO)c1ccc(Oc2nc3ccccc3c3ccccc23)cc1N,0.24, 0.054512885309353935),24786,TRUE
CC(C)[C@H](N)C(=O)C[C@H](C=O)CC1(C[C@H](NC(C)(C)C)C(=O)C=O)CCC1,0.24, 0.39709456077344685),24800,TRUE
Cc1cc(C[C@H](NC(=O)[C@H](CO)C(=O)[C@@H](N)[C@H](O)CC2CCCC2)C(=O)C=O)sc1O[C@H]1CO[C@H]2OCC[C@@H]12,0.24, 0.14047886853922126),24807,TRUE
NC(=O)[C@H](N)C(Nc1ccccc1)(OC(=O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)c1ccccc1N,0.24, 0.06791347633708615),24814,TRUE
CC[C@@H](N)Cc1sc(C(CC=O)c2nc(C)cs2)nc1CN([C@@H](C)C(=O)C=O)C(C)(C)C,0.24, 0.36635014223723766),24821,TRUE
CC(N)(/C=C/C=O)c1cc(OC(C=O)c2ccccc2F)c(Nc2ccc(-c3ccc(S(N)(=O)=O)nc3)cc2)s1,0.24, 0.1719374467735444),24828,TRUE
CC(C)C[C@H](N)C(=O)Nc1ccc(-c2cc(-c3ccc4c(=O)n(C[C@H](N)C(=O)C=O)[nH]c(=O)c4c3)n(C)n2)cc1,0.24, 0.1686745352096646),24856,TRUE
N[C@@H](Cc1ccc(Br)cc1)C(=O)C(=O)Nc1ccno1,0.24, 0.8056235711533043),24863,TRUE
CCCc1ccc(/C=C/C(=O)N(C(=O)c2nc3ccc(Oc4nc5ccccc5c5ccccc45)cc3[nH]2)C(C)/C=C/C=O)cc1,0.24, 0.09652864933305376),24870,TRUE
CC(C)[C@@H](C=O)NC(C)(/C=C/C=O)N[C@H](C(=O)O)C(Cc1ccc(O)cc1)Oc1nc2ccccc2c2ccccc12,0.24, 0.07528800437879425),24877,TRUE
[H]NC(=O)C(=O)[C@@H](N)Cc1oc2c(-c3ccc(O)c(Cl)c3Cl)ccc(O)c2c(=O)c1O,0.24, 0.36324548851047206),24884,TRUE
CC[C@@H](C)[C@@H](C=O)Nc1ccc2c(c1)nc(OC(=O)/C=C/C(C)N)c1cccc(C[C@H](N)[C@@H](O)C[C@H](C)N)c12,0.24, 0.09554299829382257),24891,TRUE
CC(/C=C/C=O)(NC(=O)c1cc2c(O)ccc(C[C@H](N)C(=O)c3nccs3)c2[nH]1)c1cc(F)c(F)cc1F,0.24, 0.10956492307314254),24898,TRUE
C[C@H]1COC(=O)C1c1cc2[nH]c(C=O)c(-c3ccc([N+](=O)[O-])cc3)c2c(C[C@H](N)C(=O)C=O)c1-c1cccc2ccccc12,0.24, 0.07702128466273712),24905,TRUE
CC(N)(/C=C/C=O)Sc1ccccc1N(c1ccc(O)cc1)[C@H](C(=O)Oc1nc2ccccc2c2ccccc12)C(C)(C)C,0.24, 0.04383410407636385),24912,TRUE
C[C@H](N)C(=O)C(=O)O[C@@H]1[C@@H]2CCO[C@@H]2OC1(c1ccccc1N)c1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.1841050663276965),24919,TRUE
N[C@H](C(=O)C=O)C(Nc1ccccc1)c1c(O)c(=O)c2c(O)cc(O)c(-c3cc(=O)occ3)c2o1,0.24, 0.19190203001529504),24926,TRUE
CC(N)/C=C/C(=O)N1CCN(c2cc(Oc3nc4ccccc4c4ccccc34)c(C(=O)CF)o2)CC1,0.24, 0.2258898648713475),24933,TRUE
C[C@H](N)/C=C/C(=O)NC(=O)C(C)(C)Oc1cccc2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c12,0.24, 0.1843503148926986),24940,TRUE
CC(=O)C(=O)C(NC(=O)C(=O)[C@H](C)N)(Oc1nc2cc(C(C)(C)C)ccc2c2c(CCC=O)cccc12)[C@@H](C)O,0.24, 0.1409084641170683),24947,TRUE
C#CC[C@@H](C=O)NC1OCC[C@@H]1OC(C1CC(=O)C(CCC)=C(O)O1)C(N)(/C=C/C=O)C1(c2ccccc2)CC1,0.24, 0.18138266104401474),24954,TRUE
N[C@@H](Cc1nnc(S)n1-c1ccccc1-c1cccc(Cl)c1Cl)C(=O)C=O,0.24, 0.36258968992346646),24961,TRUE
CC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC([C@@H]1CCCN1)[C@H](N)C(=O)C=O,0.24, 0.264608531002045),24968,TRUE
[H]Oc1cc(-c2cc([H])ccc2Cl)c2c(c1)[C@H](NC(=O)C(=O)[C@H](C)N)[C@H](O)C2,0.24, 0.6083554673845057),24975,TRUE
CCCNC(C(N)/C=C/C=O)[C@H]1COC(=O)C1Oc1nc2ccccc2c2c(-c3ccccc3N)cccc12,0.24, 0.09330626105617677),24982,TRUE
CSc1cc(C)c(C2[C@@H](c3sc(CC(N)(/C=C/C=O)c4nc5ccn(C)cc-5n4)nc3C)NC[C@H]3CCCC[C@@H]23)s1,0.24, 0.14076239387695333),24989,TRUE
C[C@H](N)C(=O)C(=O)NS(=O)(=O)c1cc(Nc2nc3ccccc3[nH]2)c(NC(=O)C(Cl)=C(Cl)Cl)cc1O,0.24, 0.13276572063457734),24996,TRUE
Cc1nc2cc(C[C@H](NC(=O)[C@H](CC(C)C)C(=O)[C@@H](N)[C@@H](C)O)C(=O)C=O)ccc2n1C,0.24, 0.26163880700122816),25003,TRUE
CC(=O)NC(N)(/C=C/C=O)Cc1ccccc1N(C(=O)c1cc(NS(=O)(=O)c2ccc(N)cc2)co1)c1ccccc1Cl,0.24, 0.08242646465092662),25010,TRUE
CC(=O)Nc1cc2nc(Nc3cc(F)c(F)cc3F)n(C(C)(N)/C=C/C=O)c2cc1Oc1ocnc1C=Nc1ccccc1,0.24, 0.0753332307438212),25017,TRUE
CC(C)COC(=O)C(=O)[C@H](C)N,0.24, 0.4833268258246772),25024,TRUE
CC[C@@H](C1=C(O)OCCC1=O)c1cccnc1N(c1ccc(-c2ccccc2)cc1)C(OC(C)(N)/C=C/C=O)[C@@H](N)C=O,0.24, 0.14898299676326307),25031,TRUE
CC(N)/C=C/C(=O)O[C@@H]1C(Oc2nc3ccc(-c4ccc(C(=O)C(F)F)o4)cc3c3ccccc23)OCC1C(F)(F)F,0.24, 0.08976902328202448),25038,TRUE
CC(=O)n1c(N[C@H](C=O)[C@H](C)O)cc2cc(C(N[C@H](C=O)CCCC(N)=O)[C@H](N)C(=O)C=O)ccc21,0.24, 0.15783872911441746),25045,TRUE
CC(N)(/C=C/C=O)N[C@H](C=O)C(CC=O)(Oc1nc2ccccc2c2ccccc12)c1ccc(Cl)cc1,0.24, 0.1308979066266122),25052,TRUE
CC(C)CC(=O)NC1(c2ccccc2N(c2ccccc2[N+](=O)[O-])c2cccc(C(C)(N)/C=C/C=O)c2N)CC1,0.24, 0.09243056049694846),25059,TRUE
Cc1nc(-c2ccc3nc(OC4CCCC4NC(=O)C(=O)[C@H](C)N)c4c(N[C@@H](C)C=O)cccc4c3c2)cs1,0.24, 0.1621067360500623),25066,TRUE
[H]c1ccc(O)c(C)c1-c1nc(SC(C)(N)/C=C/C(=O)NC(C(=O)C(C)=O)[C@@H](C)O)[nH]c(=O)c1C#N,0.24, 0.1073353655605559),25073,TRUE
CC(CC1=C(O)OC(C(Oc2nc3ccccc3c3ccccc23)C(N)/C=C/C=O)CC1=O)c1cccc(C#N)c1,0.24, 0.16128319017334697),25080,TRUE
C[C@H](NCc1ccn(C)c1)[C@H](O)C(NC(C)(/C=C/C=O)Oc1cncc(C(F)(F)F)c1)c1ccccc1O,0.24, 0.1593822401835407),25087,TRUE
CC(C)(C)NC(/C=C/C=O)Cc1nc(S)nc(CC=O)c1-c1cc(O)c(O)c(C[C@@H](N)CC=O)c1C(=O)O,0.24, 0.07077545151831927),25101,TRUE
N[C@H](C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)C(Oc1cccnc1)c1cncc(Br)c1,0.24, 0.18043679827394324),25108,TRUE
CC(N)/C=C/C(=O)Oc1nc2cc(Nc3ccc(Nc4ccc(-c5ccccc5)cc4)cn3)ccc2c2ccccc12,0.24, 0.10097023076929805),25115,TRUE
CCC(=O)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2cccc(Nc3nc4ccccc4[nH]3)c12)c1sc(SC)cc1C,0.24, 0.06495242497447169),25122,TRUE
CC[C@H](Nc1ccc(Cl)c(Cl)c1C1C(NC(C)C=O)CNC(=O)N1C(=O)C(=O)[C@H](C)N)C(=O)O,0.24, 0.22728420374290959),25129,TRUE
Nc1ccccc1C(c1cccc(-c2ccc(Cl)cc2)c1O)[C@H](N)C(=O)C=O,0.24, 0.33665579741922963),25136,TRUE
Cc1cnc(C(=O)N(C(=O)/C=C/C(C)N)[C@H](C(=O)Oc2nc3ccc(-c4ccccc4)cc3c3ccccc23)[C@H](C)O)cn1,0.24, 0.15276207519643187),25143,TRUE
C[C@H](N)/C=C/C(=O)Nc1cccc(N(c2cc(=O)c3c(O)cc(O)cc3o2)c2cccc3c2c(OC(=O)C(=O)[C@H](C)N)nc2ccccc23)c1,0.24, 0.05913974790344607),25150,TRUE
CC[C@H](NC(C)/C=C/C(=O)N(c1cccc(C)c1)[C@@H](CC(C=O)Oc1nc2ccccc2c2ccccc12)C(=O)CF)C(=O)O,0.24, 0.10416192623378236),25157,TRUE
Cc1cccc(C)c1-c1ccc(CN[C@@H](C)C(=O)C(=O)Oc2nc3c(-c4cccc(Cl)c4)cccc3c3ccccc23)cc1,0.24, 0.10784291133705907),25164,TRUE
CC(=O)[C@H](CCC=O)NC(c1cc(O)c(O)c(O)c1)(c1cc(=O)c2c(O)cc(O)cc2o1)C(N)/C=C/C=O,0.24, 0.10629054368085675),25171,TRUE
CC(N)(/C=C/C=O)c1cc2ccc(Nc3ccc(-c4ccccc4)c(-n4nnc5ccccc54)c3)cc2s1,0.24, 0.1770286858699074),25178,TRUE
CC(=O)C(=O)C(N)[C@H](O)C[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0.24, 0.3382489405197514),25185,TRUE
CCC(C)(C)NC(=O)CC[C@H](NC(=O)/C=C/C(C)N)C(=O)Cc1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.24646905769880986),25192,TRUE
CC(c1cncc(Nc2ccccc2)c1)[C@H](N)C(=O)N(C(=O)CC(CCCN)Nc1ccccn1)C(C)/C=C/C=O,0.24, 0.1613322848433222),25199,TRUE
[H]C[C@H](N)C(=O)C(=O)NC(=O)c1cc2c(CC[C@H](N)C(=O)O)cccc2[nH]1,0.24, 0.42158018361615845),25206,TRUE
Cc1nc2cc(CC(/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)NCc3ccc(Cl)cc3)ccc2n1C,0.24, 0.12210465460980022),25220,TRUE
N[C@@H](Cc1nnc(S)n1-c1ccccc1)C(=O)C(=O)On1nnc2ccccc21,0.24, 0.2657251585540288),25227,TRUE
Cc1nc2cc(CC(N)(/C=C/C(=O)OC(C=O)OC(C)c3ccccc3Cl)Oc3nc4ccccc4c4ccccc34)ccc2n1C,0.24, 0.052904893882294704),25234,TRUE
N[C@@H](Cc1c(F)cccc1N1CCC2CCCCC2C1)C(=O)C=O,0.24, 0.6645305763214793),25241,TRUE
CC(N)/C=C/C(=O)N(c1cccc2ccccc12)[C@@H](CC(C)C)C(=O)Nc1nc2c(N[C@H](C=O)[C@H](C)O)cccc2[nH]1,0.24, 0.12522578456302455),25248,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccc(-c3ccnn3CC3CC3)cc2c2ccccc12,0.24, 0.294516775868387),25255,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(N3CCCNC3=O)ccc(-c3ccc(F)cc3Cl)c2c2ccccc12,0.24, 0.22587953105052624),25262,TRUE
N[C@@H](CC1CCC1(CN1C(=O)C(=O)c2cc(F)ccc21)c1ccno1)C(=O)C(=O)N[C@@H](CCC=O)C(=O)CF,0.24, 0.275617544127123),25269,TRUE
CC[C@H](N)C(=O)N(C(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2ccccc12)[C@@H](C)C(=O)C(F)(F)F,0.24, 0.2658806102554682),25283,TRUE
Cn1nc(CC(N)/C=C/C(=O)OC(C=O)Oc2nc3ccccc3c3ccccc23)cc1-c1cccnc1,0.24, 0.10522352369569057),25290,TRUE
CC[C@H](N[C@@H](C)/C=C/C(=O)N(C(=O)/C=C/C(C)(N)c1nnc(S)n1-c1ccccc1)[C@H](C=O)CO)C(=O)O,0.24, 0.1360593494146358),25304,TRUE
N[C@@H](Cc1oc2cc(O)c(C(=O)/C=C(\O)C(=O)O)c(O)c2c(=O)c1O)C(=O)C(=O)OC[C@H](C=O)NCc1cccc(Cl)c1,0.24, 0.03452448283263047),25311,TRUE
[H]C[C@H](N)C(=O)C(=O)NS(=O)(=O)C1(C)CC1,0.24, 0.6004964684994537),25318,TRUE
CCCCc1ccc2nc(OC(=O)/C=C/C(C)(NC(N[C@@H](C)C=O)C(C)C)c3c(C)noc3C)c3ccccc3c2c1,0.24, 0.062012947762785146),25325,TRUE
Cc1cccc(NC(=O)[C@H](CCC(C)O[Na])NC(=O)C(=O)[C@H](C)N)c1,0.24, 0.44281948256570264),25332,TRUE
[H]Oc1ccnc(Nc2cc(OC(=O)C(=O)[C@@H](N)C[C@@H]3C[C@@H]4CCCC[C@@H]4CN3)ccc2O)c1,0.24, 0.18425843984579215),25339,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cc(N[C@H](C=O)[C@H](C)O)ccc12,0.24, 0.2377123605648829),25346,TRUE
CC[C@H](N)C(=O)N(C(=O)c1cc2cc(F)ccc2[nH]1)[C@@H](C)C(=O)C=O,0.24, 0.6014063245604822),25353,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2CN1c1ccc(C(C)(N)/C=C/C=O)c(N)c1-c1cccc(Nc2ccccc2)c1,0.24, 0.181511477619341),25360,TRUE
[H]N[C@@H](Cc1ccc(O)c(Cl)c1Cl)C(=O)C=O,0.24, 0.6333445767549334),25367,TRUE
CSc1cc(C)c(-c2nnc(CC(N)/C=C/C=O)cc2Oc2nc3ccccc3c3ccccc23)s1,0.24, 0.11201504632040439),25374,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)N(C(=O)/C=C/C(C)(NCc1ccccc1)c1nc2cc[nH]cc-2n1)C(=O)CN,0.24, 0.19712584071873152),25381,TRUE
N[C@@H](Cc1ccc(Cl)cc1N(c1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1Cl)C(=O)C=O,0.24, 0.1927164553923567),25388,TRUE
NC(=O)C(OC(=O)/C=C/C(N)CC1CCCCC1C[C@H](N)C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.11468755613665398),25395,TRUE
N[C@@H](Cc1c(Cl)c(Cl)cc(N[C@H]2c3ccccc3C[C@H]2O)c1-c1ccccc1CCC=O)C(=O)C=O,0.24, 0.26577290484734306),25402,TRUE
CCCC[C@@H](C=O)NC(=O)C(=O)[C@@H](N)Cc1cccc(CC)c1O,0.24, 0.4407911397246193),25409,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@H](C=O)CC1N[C@H](C(c2cncs2)[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)[C@@H]2[C@H]1C2(C)C,0.24, 0.07137268501567852),25416,TRUE
C=C[C@@H]1C[C@]1(N)N[C@@H](C)C(=O)C(=O)Oc1nc2c(Sc3nncn3-c3ccccc3)c(-c3cccc(Cl)c3)ccc2c2ccccc12,0.24, 0.05393397828017392),25430,TRUE
N[C@@H](Cc1cccc(/C=C/C=O)c1-c1c[nH]nn1)C(=O)C(=O)Oc1c(NC=O)oc2cc(O)cc(O)c2c1=O,0.24, 0.08255139722006269),25437,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1sc2ccccc2c1[H],0.24, 0.6433516949489638),25444,TRUE
C[C@@H]1C(Nc2ccc(N)cc2)[C@H]2CCC(N3CCNC(C(=O)/C=C(\O)C(=O)O)C3)C[C@@H]2CN1C(C)(N)/C=C/C=O,0.24, 0.11245978228733751),25451,TRUE
NC(/C=C/C=O)CC1C(C[C@@H](N)CC=O)C1Oc1nc2ccccc2c2c(-c3nccs3)cccc12,0.24, 0.179023805121109),25458,TRUE
[H]C(=O)[C@@H](NC(=O)C(=O)[C@H](C)N)[C@@H](O)Cc1cc(=O)c2c(O)cccc2o1,0.24, 0.3603377264309961),25465,TRUE
CCCC[C@@H](C=O)NC(C)(/C=C/C=O)NC(=O)c1cc(Oc2nc3ccccc3c3ccccc23)cs1,0.24, 0.10727481372035734),25472,TRUE
CCCc1cc(Oc2ccc(O)cc2)cc2c1c(OC(=O)/C=C/C(C)N)nc1cccc(Oc3c(C)cccc3C)c12,0.24, 0.10635919826852192),25479,TRUE
Cc1ccc(C(F)(F)F)c(C)c1C1Cn2c(nnc2CC(N)(/C=C/C(=O)N[C@H](C=O)[C@@H](C)O)c2ccccc2O)CN1,0.24, 0.1892687172396991),25486,TRUE
Nc1cc(O)c(O)cc1CC(N)(C(=O)C(=O)NC(=O)C(Cl)=C(Cl)Cl)N1CCCNC1=O,0.24, 0.10759278515356427),25493,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(Cn1[nH]c(=O)c2ccccc2c1=O)c1ccc(/C=C/C=O)cc1,0.24, 0.11564288854387274),25500,TRUE
C[C@@H](CCN[C@@H](C)C(=O)C=O)N[C@H]1COC(=O)C1N[C@@H](CC(N)=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.0930561981519861),25507,TRUE
O=CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1-c1ccc(F)cc1Cl)NC(=O)c1nc2ccccc2[nH]1,0.24, 0.16414765191215994),25514,TRUE
C[C@H](NCc1cccc(Cl)c1-c1cccc([N+](=O)[O-])c1)C(=O)C=O,0.24, 0.35978213236843676),25521,TRUE
C[C@H](N)C(=O)C(=O)N1CC(Oc2cccnc2)OC(Sc2ncc(C#N)c(=O)[nH]2)C1,0.24, 0.4563160321362072),25528,TRUE
Cc1ccc(NC(C)(/C=C/C(=O)N2CCNC(Oc3cccnc3)(Oc3nc4ccccc4c4ccccc34)C2)O[Na])cc1,0.24, 0.10465886980623106),25535,TRUE
CNC(N)(/C=C/C(=O)Oc1cnc(C(Nc2ccccn2)[C@H](N)C=O)c(Cl)c1)Cc1cccc(C#N)c1,0.24, 0.1274274693626527),25542,TRUE
CCCCN(C1CCCCC1)C1C[C@H]2CCCC[C@@H]2C(c2ccccc2[N+](=O)[O-])N1C(=O)/C=C/C(C)N,0.24, 0.2376995073325622),25549,TRUE
CC(N)(/C=C/C=O)c1oc(C(=O)CF)cc1-c1nc2cn(Cc3ccc(/C=C/C=O)cc3)cc(NC3CC3)c-2n1,0.24, 0.15153493220503175),25556,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2c(OC(C)(C)C(=O)N[C@@H]3C[C@H]4CCCC[C@@H]4CN3)cccc12,0.24, 0.2323454304659589),25563,TRUE
Cc1cccc(C)c1OC(Cc1cc(C[C@H](N)C(=O)C(F)(F)F)c(F)c(Nc2ccc(Cl)cc2)c1)OC(=O)/C=C/C(C)N,0.24, 0.0949296694674687),25570,TRUE
C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Oc1nc2ccccc2c2ccc(-c3cncc(Br)c3)cc12,0.24, 0.08001653880218526),25577,TRUE
Cc1nc2c(-c3ccc([N+](=O)[O-])cc3)c(C(Nc3ccc(-c4ccccc4)cc3)[C@H](NC(C)(C)C)C(=O)C=O)ccc2n1C,0.24, 0.0795564130749534),25584,TRUE
[H]N([H])C(=O)C(=O)[C@@H](N)Cc1ccc(F)cc1Cl,0.24, 0.7521402820259596),25591,TRUE
[H]N[C@@H](C[H])C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.45474966002437955),25598,TRUE
[H]C(Nc1ccc(NC(=O)C(=O)[C@H](C)N)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2CN1,0.24, 0.5843158085894382),25605,TRUE
N[C@H](C(=O)C(=O)Nc1ccccc1Cl)C(c1ccccc1)(c1cc(Cl)cc(OP(=O)(O)O)c1)C1CC1,0.24, 0.22431527624891587),25612,TRUE
CC(C)c1ccc2c(c1)[C@H](NC(=O)/C=C/C(C)(N)c1cc(Oc3nc4ccccc4c4ccccc34)c(C(=O)C(F)F)o1)[C@H](O)C2,0.24, 0.09288636058223321),25619,TRUE
CC(N)(/C=C/C(=O)OCC(=O)Nc1oc2cc(O)c(NCC=O)c(O)c2c(=O)c1O)c1ccccc1N,0.24, 0.07005000041396336),25626,TRUE
C#CC[C@@H](C=O)NC(N)(/C=C/C=O)Cc1cccc(-c2cc(O)c(O)cc2-c2oc3cc(O)cc(O)c3c(=O)c2O)c1,0.24, 0.04854147054082759),25633,TRUE
CC[C@@H](C=O)NC(NC=O)(c1ccc(O)c(O)c1)[C@H](N)C(=O)C(=O)N(C(=O)[C@@H](N)CC)[C@@H](C)CC,0.24, 0.08354888477445402),25647,TRUE
[H]Oc1cccc2c(OC(=O)C(=O)[C@H](C)N)nc3cc([H])ccc3c12,0.24, 0.4350709015305762),25654,TRUE
CC(N)(/C=C/C=O)c1ccc(Cl)c(-c2cc(Oc3nc4ccccc4c4ccccc34)c3[nH]c(C=O)cc3c2)c1,0.24, 0.12145918126033402),25661,TRUE
CC(C)[C@H](N)C(=O)N[C@@H](C)[C@@H](O)C(OC(C)(C)C)[C@H](C)NC(=O)C(=O)[C@H](C)N,0.24, 0.3065084633846003),25668,TRUE
CSC(C=O)C[C@@H](C=O)NC(=O)C(=O)[C@H](C)NCC(CN)N1CCNCC1c1ccc(O)c(O)c1,0.24, 0.10226660467966305),25675,TRUE
N[C@@H](Cc1cnccc1C[C@H](N)C(=O)c1nc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cs1)C(=O)C=O,0.24, 0.1166425902266901),25682,TRUE
C[C@H](O)[C@@H](C=O)NC(=O)/C=C/C(N)C[C@@H]1C[C@H]1Nc1cc(Cl)ccc1-c1cc(O)c(O)c(O)c1CC(N)C(=O)C(F)(F)F,0.24, 0.09214657497140136),25696,TRUE
CC(N)/C=C/C(=O)N(C(=O)C(C)N)c1cc(Cl)c(-c2oc3cccc(O)c3c(=O)c2O)c(Cl)c1,0.24, 0.3837154959273501),25703,TRUE
CCCC1=C(O)OC(CSC(C)(N)/C=C/C(=O)Nc2ccc(C(=N)N)cc2-c2ccccc2N)CC1=O,0.24, 0.08873912699419223),25717,TRUE
C#CC[C@@H](C=O)Nc1cc([N+](=O)[O-])ccc1CN[C@@H](Cc1coc2cc(O)cc(O)c2c1=O)C(=O)C=O,0.24, 0.09153948119914564),25724,TRUE
CC[C@@H](C(=O)O)N(C(=O)[C@@H](NCc1ccn(C)c1)C(C)(C)C)C(C)(/C=C/C=O)Nc1ccc(Cl)cc1-c1ccccc1,0.24, 0.12538749027853877),25731,TRUE
C[C@H](N)C(=O)c1ncc(-c2c(CC(N)/C=C/C=O)ccc3c2ccn3C(=O)Cc2oc3cc(O)cc(O)c3c(=O)c2O)s1,0.24, 0.09394061210389892),25738,TRUE
N=C(N)c1ccc(Nc2cc(C[C@H](N)C(=O)C=O)cc(Sc3ccccc3)c2)cc1,0.24, 0.1825600835611808),25745,TRUE
N[C@@H](Cc1cc(B(O)O)cc([N+](=O)[O-])c1)C(=O)C=O,0.24, 0.17589882476285082),25752,TRUE
CC(/C=C/C=O)NCC(O)C(C)(NCc1ccc(Cl)c(C(C)(C)C)c1)NC(=O)N1C[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.18038055014824297),25759,TRUE
N[C@@H](Cc1cccc2c(CC=O)c[nH]c12)C(=O)C=O,0.24, 0.5841106640261421),25766,TRUE
C[C@H]1O[C@@H](OC(C)(N)/C=C/C(=O)Oc2nc3ccccc3c3ccc([C@H](N)C=O)cc23)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.09805190001075952),25773,TRUE
Cn1ccc(-c2c(-c3ccccc3)ccc3c2nc(C(C)(N)/C=C/C=O)c2cc(-c4ccc(/C=C(\N)C=O)o4)ccc23)c1,0.24, 0.11959302702687305),25780,TRUE
Cc1cnc(C(=O)N(C(=O)/C=C/[C@H](C)N)C(C)(/C=C/C=O)C2C(=O)OC[C@@H]2C)c(-c2ccc(/C=C/C=O)cc2)n1,0.24, 0.2705352521187146),25787,TRUE
CC[C@H](NC(=O)/C=C/C(N)(C[C@@H]1CC2CCCCC2CN1C(=O)c1cc2ccccc2[nH]1)N1CCCNC1=O)C(=O)O,0.24, 0.28731339551817336),25794,TRUE
[H]OC(=O)C(=O)[C@H](C)NC(=O)/C=C/C(N)Cc1ccc2c(c1)nc(C)n2C,0.24, 0.48749249206904327),25801,TRUE
Cc1csc(-c2cccc(C(C)(N)/C=C/C(=O)Oc3nc4ccccc4c4ccc(-c5cccc(O)c5C)cc34)c2N)n1,0.24, 0.08027229175448752),25808,TRUE
Cc1ccccc1C[C@H]1O[C@@H](OC(=O)C(=O)[C@H](C)N)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.3824919236382733),25829,TRUE
N[C@H](C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)C(c1ccc(F)cc1)N1CCCC1,0.24, 0.2658119536374005),25836,TRUE
CC(N)(/C=C/C=O)c1ccc([SH](=O)=O)nc1-c1ccc(O)c(O)c1Oc1cncc(Br)c1,0.24, 0.15941198970005363),25843,TRUE
Cc1cccc2c(-c3ccc(OC(=O)C(=O)[C@@H](N)Cc4oncc4OC(C)(C)C(N)=O)c4cc(C=O)[nH]c34)ccnc12,0.24, 0.097288830744103),25857,TRUE
CC(N)(/C=C/C=O)NC(C=O)C(CC(=O)O)N[C@H]1c2cc(Oc3nc4ccccc4c4ccccc34)ccc2C[C@H]1O,0.24, 0.07421562854134418),25864,TRUE
C=C[C@@H]1C[C@]1(N)C(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc12,0.24, 0.0858168575704452),25871,TRUE
C[C@H](NCc1csc(NC(=O)CCCC(CN)Oc2nc3ccccc3c3ccccc23)n1)C(=O)C=O,0.24, 0.1384553313909605),25878,TRUE
[H]c1cc(C[C@H](N)C(=O)C(=O)N[C@@H](CC(C=O)C2CCCCC2)C(=O)C(F)(F)F)ccc1[N+](=O)[O-],0.24, 0.21151919874622083),25885,TRUE
C[C@@H](OC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3cccc([N+](=O)[O-])c3)cc12)[C@H](N)C=O,0.24, 0.06387417985687852),25892,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cccc2[nH]ccc12,0.24, 0.5860996805754765),25899,TRUE
CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)C(=O)Oc1nc2c(Sc3ncccn3)cccc2c2ccccc12)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.0712685772143249),25906,TRUE
CCCC(c1c(SC)scc1C)[C@@H](C=O)NC(=O)C(=O)[C@H](C)N,0.24, 0.4023844520197418),25920,TRUE
N[C@@H](Cc1cc(/C=C/C=O)c(F)c(C(=O)/C=C(\O)C(=O)O)c1Cl)C(=O)C=O,0.24, 0.18359281340757969),25927,TRUE
N[C@@H](Cc1c(NC(=O)c2cccs2)cccc1Nc1ccccn1)C(=O)C=O,0.24, 0.39980461469810763),25934,TRUE
[H]C(=O)C(c1scc(CCC=O)c1CC(N)C(=O)C(N)=O)[C@H](O)C(=O)NC(C)/C=C/C=O,0.24, 0.15264057662928834),25941,TRUE
Cc1c(C(F)(F)F)ccc(C[C@H](N)C(=O)C=O)c1-c1ccc2c(c1)OC(O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)O2,0.24, 0.2967396046738192),25948,TRUE
CC(N)(/C=C/C=O)N(C(=O)[C@@H](N)CCCCN)C1(Oc2nc3ccccc3c3ccccc23)CCCC1,0.24, 0.11908183866225586),25955,TRUE
CC(C=O)(Nc1cc(C[C@H](N)C(=O)C=O)cc2[nH]ccc12)Oc1nc2c(N[C@@H](CCC=O)C(=O)CF)cccc2c2ccccc12,0.24, 0.05383612821371189),25962,TRUE
N[C@@H](CC1CC2CCCCC2(c2csc(N3CCCC3N3CCNCC3)n2)CN1)C(=O)C=O,0.24, 0.40079295506234686),25969,TRUE
CC(N)(/C=C/C=O)N(C(=O)c1nc2ccccc2[nH]1)[C@H](C=O)CCCCNc1nc2ccccc2c2ccccc12,0.24, 0.06576020746915703),25976,TRUE
N#Cc1cccc(CNC(/C=C/C=O)(Cc2cccc(/C=C/C=O)c2)N[C@@H](CCC=O)C(=O)Cc2cccc(C#N)c2)c1,0.24, 0.1395376128867394),25983,TRUE
Cc1cc(C[C@H](N)C(=O)NN(C=O)CCC(N)=O)cc(C)c1OC(=O)[C@@H](NC(=O)/C=C/C(C)N)[C@H](C)O,0.24, 0.0535243297529427),25990,TRUE
CC[C@@H](C=O)NC(C)(/C=C/C=O)N[C@H](C=O)C(CCCN)Oc1nc2ccccc2c2cccc(Nc3ccc([N+](=O)[O-])cc3Cl)c12,0.24, 0.026898640992459876),25997,TRUE
CC(C)[C@H](N)C(=O)N[C@@H](CC1(c2ccc(C(=O)CF)o2)CCOC1=O)C(=O)C=O,0.24, 0.2414290813487981),26004,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2ccc(Nc3ccccc3)cc12)(Cc1ccc(O)c(O)c1)C1CCOC1=O,0.24, 0.08149065264774577),26011,TRUE
CC(CC1=C(O)OC(C2C[C@@H]3[C@@H](C4(S(=O)(=O)NC(=O)C(=O)[C@H](C)N)CC4)NC[C@@H]3C2)CC1=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.18251403458148005),26018,TRUE
Cc1c(O)cccc1-c1c(NC(C)(C)C)cc2c(c(OC(=O)C(=O)[C@H](C)N)nc3ccccc32)c1OC(C)(C)C,0.24, 0.1474955628334809),26025,TRUE
Cc1cc(O)cc(N[C@H](C=O)[C@H](C)O)c1C[C@H](N)C(=O)C=O,0.24, 0.38293506658993337),26032,TRUE
C[C@H]1O[C@@H](c2cccc(C[C@H](N)C(=O)C=O)c2F)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.399337339608111),26039,TRUE
Nc1c(C[C@H](N)C(=O)C=O)ccc(O)c1,0.24, 0.3547607755540435),26046,TRUE
[H]Nc1csc(N[C@@H](C)C(=O)C(=O)N(C(N)=O)c2nc3cccc(CC(N)C(=O)C(F)(F)F)c3[nH]2)n1,0.24, 0.2736106448126111),26053,TRUE
[H]C(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)CC1CCC1,0.24, 0.48363537232630843),26067,TRUE
Cc1nc2cc(-c3ccc4c(c3)c(OC(=O)/C=C/C(C)NC(C)(C)C)nc3ccccc34)cc(-c3cc(=O)c4c(O)cccc4o3)c2n1C,0.24, 0.10549929142087129),26074,TRUE
C[C@@H](C=O)Nc1ccc(-c2cnc(C(=O)[C@H](C)N)s2)c(F)c1C(C)(N)/C=C/C(=O)Oc1cncc(Br)c1,0.24, 0.13795847795379204),26081,TRUE
C[C@@H](O)C[C@H](C=O)Cc1nc(Nc2cc(Cl)cc(Cl)c2)c(C(Sc2ccccc2)[C@H](N)C(=O)C=O)s1,0.24, 0.14572802220112252),26088,TRUE
N[C@H](C(=O)C=O)C(c1ccc(Br)cc1)c1cccc(Cl)c1-c1ccc(Cl)cc1,0.24, 0.3689907955664576),26095,TRUE
CC(N)(/C=C/C=O)Oc1cc(Br)cnc1[C@@H]1C[C@H]2CCCC[C@@H]2C(c2nc3ccccc3c3ccccc23)N1,0.24, 0.11036393876160654),26102,TRUE
CC(N)/C=C/C(=O)N(C(=O)c1cc(C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)N)c(Cl)s1)[C@H](C(=O)[C@H](C=O)CC(C)C)[C@@H](C)O,0.24, 0.09419412324418928),26116,TRUE
Cc1ccc(-c2cccc3c(OC(=O)[C@@H](NC(=O)C(=O)[C@H](C)N)[C@H](C)C(C)c4c(F)cc(F)cc4F)nc4ccccc4c23)nn1,0.24, 0.12709181438420342),26123,TRUE
CC(N)(/C=C/C(=O)OCc1cc(OP(=O)(O)O)ccc1-c1ccoc(=O)c1Nc1ccc(Cl)cc1)Oc1cccnc1,0.24, 0.07755167326103109),26130,TRUE
CC(=O)Nc1c(F)c(F)cc(C[C@H](N)C(=O)C(=O)N2CCOCC2)c1F,0.24, 0.5732858672566383),26137,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc(C#N)ccc1C[C@H](N)C(=O)c1nccs1,0.24, 0.39625028700055215),26144,TRUE
CCC[C@H](NCOC(=O)/C=C/C(C)(N)N[C@@H](C)/C=C/C(=O)N[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C=O)C(=O)C=O,0.24, 0.052561487929139956),26151,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3c(O)c(Cl)cc(Cl)c3Cl)cc12)c1cc(O)c(O)c(O)c1,0.24, 0.04620133679680468),26158,TRUE
CCC(C)(C)NC(c1c(O)c(Cl)cc(Cl)c1Cl)[C@H](N)C(=O)C(=O)N1CCNCC1,0.24, 0.3639471666524658),26172,TRUE
C[C@H](NC(=O)CC[C@H](N)C(=O)CF)C(=O)C(=O)Nc1cccc(-c2ccccc2-c2ccccc2/C=C/C=O)n1,0.24, 0.1698690534730125),26186,TRUE
[H]C(c1nnc(S)n1-c1ccccc1)[C@H](N)C(=O)C=O,0.24, 0.4621051024741217),26200,TRUE
C[C@H]1O[C@@H](C2(NC=O)CCC(c3cccc([N+](=O)[O-])c3)[C@@H]3[C@@H](C)O[C@H](C(C)(N)/C=C/C=O)C[C@H]32)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.1305202208530432),26214,TRUE
NCCCCCC(=O)N[C@@H](Cc1ccc(CC(N)C(=O)C(F)(F)F)cc1F)C(=O)C=O,0.24, 0.1798292069981978),26221,TRUE
C[C@H]1COC(=O)C1CC(N)(/C=C/C(=O)OC(C)(C)C(N)=O)Oc1nc2ccccc2c2ccc(Oc3ccccc3)cc12,0.24, 0.11623475107634185),26228,TRUE
C=C(CC)C(=O)c1ccccc1-c1cc(OC(C)(N)/C=C/C=O)c(C[C@H](N)CCC=O)cc1-c1ccccc1,0.24, 0.11879104729794528),26235,TRUE
C[C@H]1O[C@H](C(c2ccccc2SC(C)(N)/C=C/C=O)N2C(=O)C(=O)c3cc(C#N)ccc32)C[C@H]2CCCC[C@@H]21,0.24, 0.16495639034945217),26242,TRUE
CCCCNC(=O)CC([C@H](NC(=O)/C=C/C(C)N)C(=O)C(F)(F)F)[C@H]1NC(c2ccccc2)[C@@H]2CCC[C@H]12,0.24, 0.24108792394588974),26249,TRUE
CC(N)(/C=C/C=O)Sc1nc(-c2ccc(/C=C/C=O)c(Oc3nc4ccccc4c4ccccc34)c2)c(C#N)c(=O)[nH]1,0.24, 0.05782366727550561),26256,TRUE
[H]Nc1cc2cccc(N(C(=O)/C=C/C(C)N[C@@H](C)C(=O)C=O)C3CC3)c2[nH]1,0.24, 0.37480983520051087),26270,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2ccc(NC3(c4oc5cc(O)cc(O)c5c(=O)c4O)CCCCC3)cc12,0.24, 0.09538248549857452),26277,TRUE
Cc1ccc(-c2ccc3c(c2)nc(OC2[C@@H](C[C@H](N)C(=O)C=O)NCCN2CC(C)C)c2ccccc23)cc1,0.24, 0.1892341748986955),26284,TRUE
Cc1noc(Nc2cc3[nH]c(-c4ccc(O)cc4)nc3cc2C[C@H](N)C(=O)C=O)c1[N+](=O)[O-],0.24, 0.13418462176118653),26291,TRUE
CCC(C)(C)Nc1cccc2c(OC(=O)C(=O)[C@@H](N)Cc3ccccc3F)nc3ccccc3c12,0.24, 0.20825094366535274),26298,TRUE
C#CC(N[C@@H](C=O)CC(C)C)[C@H](NCCC(=O)O)C(=O)N(C(C)/C=C/C=O)C(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.06958422289477566),26305,TRUE
N[C@H](C(=O)C(=O)Oc1nc2ccc(-c3ccccc3)cc2c2ccccc12)C(c1ccc2cc[nH]c2c1)c1ccno1,0.24, 0.1378854421123836),26312,TRUE
C[C@H](Nc1c(Oc2nc3ccccc3c3ccccc23)nc(SC(C)(N)/C=C/C=O)nc1[C@H](N)C=O)[C@@H](C)O,0.24, 0.05382845157256489),26319,TRUE
Cc1onc(C(=O)N(C(=O)CN)C(C)(/C=C/C=O)Nc2ccc(-c3ccccc3)cc2)c1C[C@H](N)C(=O)C=O,0.24, 0.13499471299558888),26326,TRUE
[H]c1ccccc1-c1ccc2c(c1)c(OC(=O)C(=O)[C@H](C)N)nc1c(-n3nnc4ccccc43)cccc12,0.24, 0.21459220659553896),26333,TRUE
C=C[C@@H]1C[C@H]1Nc1cc(C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)N)ccc1NC(C)(/C=C/C=O)c1ccc2[nH]cnc2c1,0.24, 0.10313996254491548),26340,TRUE
CC(=O)n1ccc2cc(N3CCN[C@H](C[C@H](N)C(=O)C=O)C3O)c([C@H](C=O)C(C)C)cc21,0.24, 0.4040378455889744),26347,TRUE
C[C@@H](OC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2c(-c3ccc(C=O)s3)cccc12)[C@H](N)C=O,0.24, 0.11506567581445161),26354,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3ccccc3N)cc12)c1cc(F)c(F)cc1F,0.24, 0.09343727590701825),26368,TRUE
Nc1c(COC(=O)/C=C/C(N)Cc2cccc(Cl)c2)cccc1Oc1nc2ccccc2c2ccccc12,0.24, 0.10297368426924762),26375,TRUE
N[C@@H](Cc1cc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2s1)C(=O)C=O,0.24, 0.31695311299725454),26382,TRUE
[H]c1ccc(CC(=O)n2ccc3cc(C[C@H](N)C(=O)C=O)ccc32)c(NCC=O)c1,0.24, 0.42478654729445076),26389,TRUE
[H]C[C@@H](C(=O)C=O)N(C(=O)[C@@H](N)CC)c1ccccc1F,0.24, 0.6236634729242799),26396,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3ccc(Cl)c(Cc4cccnn4)c3Cl)cc12,0.24, 0.1524099018138327),26410,TRUE
CC(C)C(=O)N([C@@H](C)C=O)C(C)([C@H]1CN1)N([C@@H]1OC1CCC=O)C(C)(/C=C/C=O)c1ccc(C(=O)CF)o1,0.24, 0.11129887474307108),26417,TRUE
C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)C=O,0.24, 0.49342822992033675),26424,TRUE
CC(=O)Nc1c(CC(/C=C/C=O)NC2C(=O)OC[C@@H]2Cc2cccc3[nH]ccc23)c(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc2c1OCO2,0.24, 0.07068853798196106),26431,TRUE
CC(=O)[C@@H](N)Cc1ccc2c(c1)c(OC(=O)/C=C/C(C)NC(=O)c1cc3cc(Cl)ccc3[nH]1)nc1ccccc12,0.24, 0.13630590064247336),26438,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.43664583975354),26445,TRUE
CC(=O)[C@H](CCC=O)N(C(=O)/C=C/C(N)Cc1oc2cc(O)cc(O)c2c(=O)c1O)C(=O)c1ccc(Cl)s1,0.24, 0.21101195091181618),26452,TRUE
NC(/C=C/C=O)Cc1cccc(Cl)c1Sc1ccccc1Oc1nc2ccccc2c2ccccc12,0.24, 0.1320841906492947),26459,TRUE
[H]c1cc(N[C@H](C=O)CC(C)C)sc1C(=O)N(C(=O)C(=O)[C@H](C)N)[C@H](C=O)[C@@H](C)O,0.24, 0.3450225741920787),26466,TRUE
[H]C([C@H](N)C(=O)C=O)[C@H]1COC(=O)C1C,0.24, 0.3666151641530304),26473,TRUE
Nc1c(NC(=O)CO)cccc1C(Sc1ccccc1)[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.06733326448513047),26487,TRUE
CCCN(C(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2ccccc12)C(=O)c1sccc1[C@H]1NC[C@H]2[C@@H]1C2(C)C,0.24, 0.1524857178024906),26494,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(Cc1cccc(CC=O)c1)[C@@H]1C[C@H]2CCCC[C@@H]2CN1,0.24, 0.12722566815712408),26501,TRUE
Cc1oc(=O)oc1CN[C@@H](C)C(=O)Cc1coc(/C=C(/C=O)NC(=O)/C=C/C(C)(N)c2nn[nH]c2N2CCCC2)c1,0.24, 0.17011909555980703),26508,TRUE
[H]N([C@@H]1C[C@H]2CCC(Oc3nc4ccccc4c4ccccc34)C[C@@H]2[C@@H](C)O1)[C@@H](C)C(=O)C=O,0.24, 0.3428576548311917),26515,TRUE
CC(C)(C)NC(C)(/C=C/C=O)NC(=O)C(O)(Nc1ccccc1)c1ccc(Oc2nc3ccccc3c3ccccc23)cc1Cl,0.24, 0.057040458489785686),26522,TRUE
C#CC[C@@H](C=O)NC(=O)/C=C/C(N)(Cc1cncc(Br)c1)Oc1ccccc1-c1ccccc1F,0.24, 0.17552116921857888),26529,TRUE
CCCCN(C[C@@H](O)C[C@H](C=O)Cc1cccc(Cc2ccc3c(c2)OC(Oc2cccc4[nH]c(C=O)cc24)O3)c1)C(C)/C=C/C=O,0.24, 0.09980963604104268),26536,TRUE
Cc1noc(C)c1-c1ccc(Nc2nc3ccccc3[nH]2)cc1C[C@H](N)C(=O)C=O,0.24, 0.31928400723738914),26550,TRUE
C[C@@H](C(=O)C(F)(F)F)N(C(=O)/C=C/C(C)(NCc1ccn(C)c1)Oc1ccc(O)cc1)c1ccccc1[N+](=O)[O-],0.24, 0.15150868938227474),26557,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(-c3cccc([N+](=O)[O-])c3)ccc2c2cccc(-c3ccccc3Cl)c12,0.24, 0.093172401667651),26564,TRUE
Cc1c(O)ccc(Oc2cccnc2)c1-c1ccc2nc(OC(=O)C(=O)[C@H](C)N)c3ccccc3c2c1,0.24, 0.19065242259733975),26571,TRUE
Cc1cccc(OC(c2ccc(-c3ccc4cc[nH]c4c3)cc2N=Cc2ncoc2O)[C@H](N)C(=O)C=O)c1,0.24, 0.1473010878194112),26578,TRUE
CCCNC(=O)C(=O)[C@H](Cc1cccc(O)c1NS(=O)(=O)c1ccc(N)cc1)NC(=O)CC[C@H](N)C(C)=O,0.24, 0.11081672770033386),26585,TRUE
Nc1c(-c2nc3cc(C[C@H](N)C(=O)C(=O)NC=O)ccc3[nH]2)cc(-c2ccc(C(=O)CF)o2)cc1-c1ccno1,0.24, 0.08761671635674748),26592,TRUE
Cc1nc(C[C@H]2COC(=O)C2C)c(C(=O)NC(C)(/C=C/C=O)N[C@@H](C)[C@@H](C)O)nc1Cc1ccc2c(c1)OCO2,0.24, 0.16356785075412997),26599,TRUE
[H]Nc1ccc2c(c1)c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.3303441624131991),26606,TRUE
CC1(S(=O)(=O)NC(=O)C(=O)[C@@H](N)Cc2cccc(Cl)c2N)CC1,0.24, 0.49586865243224515),26613,TRUE
CC(C)C[C@@H](C=O)NC(=O)/C=C/C(C)(N)N[C@@H](CC(C)c1ccco1)C(=O)C=O,0.24, 0.19586300855063288),26620,TRUE
CC(C)C[C@H](NC(=O)C(=O)[C@H](C)N)B(O)O,0.24, 0.325527914891138),26627,TRUE
CCC1CN(C(CCN)C[C@@H](C=O)NC(=O)C(=O)[C@H](C)NC2(N)CC2)CCO1,0.24, 0.18451479422025965),26641,TRUE
Cc1nnc(CC(/C=C/C=O)NC(C)(C)C)cc1CN1C(=O)C(=O)c2c1ccc(C#N)c2OC(C)(C)C,0.24, 0.32894228343782445),26648,TRUE
N#Cc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(C2(c3cc4cc(C[C@H](N)C(=O)C=O)ccc4[nH]3)CCCCC2)c1,0.24, 0.1304259658395041),26662,TRUE
N[C@H](C(=O)C=O)C(Oc1cncc(Cl)c1)c1ccc(CO)cc1F,0.24, 0.579091656370306),26669,TRUE
O=C/C=C/C(Cc1ccc(O)c(O)c1)(NC(=O)C(Cl)=C(Cl)Cl)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1,0.24, 0.25356248147770527),26676,TRUE
Cc1cccc(Oc2coc(-c3cc(C(C)(/C=C/C=O)Nc4nc5cc[nH]cc-5n4)cnc3[SH](=O)=O)c2)c1,0.24, 0.140531692602914),26683,TRUE
[H]N[C@@H](Cn1ccc2nc(NC3CCCCC3c3csc(C)n3)nc-2c1)C(=O)C=O,0.24, 0.4519884044776987),26690,TRUE
Cc1ccccc1Cc1nc(C(N)(/C=C/C(=O)OP(=O)(O)O)Cc2cncc(Br)c2)cs1,0.24, 0.2913715120974248),26697,TRUE
C[C@H]1O[C@@H](Oc2ccnc(SC(c3c([C@@H]4C[C@@H]5CCCC[C@@H]5CN4)cnn3C)C(N)/C=C/C=O)n2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.12244074386773934),26704,TRUE
N[C@@H](Cc1ncc(-c2cccc(C(CCC(=O)O)N[C@H](C=O)CO)c2)s1)C(=O)C=O,0.24, 0.2604690319891828),26711,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccc(-c3cc4ccccc4s3)cc12,0.24, 0.24583770133680363),26718,TRUE
CCC(C[C@@H](C=O)N(C(=O)C(O)Nc1ccccc1Cl)C(C)(N)/C=C/C(=O)OP(=O)(O)O)Nc1ccc(Cl)cc1,0.24, 0.07893826346751741),26725,TRUE
C=C[C@@H]1C[C@]1(N)C(N)(/C=C/C=O)Cc1cc(C#N)ccc1-c1ccc2[nH]c(C(C)N[C@@H](CC(C)C)B(O)O)cc2c1,0.24, 0.08144630088710773),26739,TRUE
[H]c1ccc2c(c1)nc(OC(=O)C(=O)[C@H](C)N)c1c(C3CCCCC3)cc(N[C@H](C=O)[C@@H](C)O)cc12,0.24, 0.19400252781537294),26746,TRUE
Cc1csc(CC(N)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)N(C(=O)c2cc(C)on2)[C@@H](C)C=O)n1,0.24, 0.08900648172831255),26753,TRUE
CNC(=O)CC[C@H](NC(Oc1nc2ccccc2c2ccccc12)(c1cc(C)cc(-c2cc3ccccc3s2)c1)C(N)/C=C/C=O)C(=O)CF,0.24, 0.04917698051704256),26760,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(N[C@H](C=O)CCCCN)c1ccc(C(=O)C(F)F)o1,0.24, 0.05901175615242649),26767,TRUE
CCC(C[C@@H](C(=O)Nc1ccccc1)N(C(=O)/C=C/C(C)(N)Oc1ccc(O)cc1)C(=O)[C@H](N)CC(C)C)[C@H]1CO1,0.24, 0.1533820164680855),26774,TRUE
CC(C=O)NC(CC[C@@H](C=O)NC(N)(/C=C/C=O)Cc1ccc(F)cc1CC(C)NS(=O)(=O)c1ccc(N)cc1)C(N)=O,0.24, 0.054530611582425156),26781,TRUE
C=C(CC)C(=O)C1(N(C(=O)c2cc3c(O)cccc3[nH]2)C(C)(N)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)CCCC1,0.24, 0.07247412598587546),26788,TRUE
CC(C)C[C@H](C=O)NC(=O)/C=C/C(C)(NCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1-c1cc(=O)c2c(O)cccc2o1,0.24, 0.04594946575039162),26795,TRUE
CCc1cc(C(OC(C)(C)Nc2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)C(N)(/C=C/C=O)c2ccc(C(C)=O)o2)ccc1O,0.24, 0.0723387015149259),26802,TRUE
CC(C)[C@H](N)[C@@H](O)C(c1cc(-c2ccon2)cc([N+](=O)[O-])c1)[C@@H](C)C(=O)N(C=O)C(C)(N)/C=C/C=O,0.24, 0.1265606219747499),26809,TRUE
N[C@@H](Cc1ccc(Cl)cc1N1CC2CCCCC2CC1N/C(C=O)=C\c1ccco1)C(=O)C(=O)N1C[C@H]2CCC[C@H]2C1,0.24, 0.2444522801807015),26816,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NCCC(=O)O)c1ccc([SH](=O)=O)nc1,0.24, 0.13558218973306976),26837,TRUE
CC(c1ccc(N)cc1)[C@H](N)C(=O)N[C@@H](C[C@H]1COC(=O)C1C)C(=O)C=O,0.24, 0.25405037655050977),26844,TRUE
CCC[C@H](N)C(=O)C(=O)N(C(=O)/C=C/c1ccccc1Oc1ccccc1)C(C)(/C=C/C=O)NC,0.24, 0.20846127644360593),26851,TRUE
[H]C(=O)C(=O)[C@H](Cc1ccc2cc[nH]c2c1)N[H],0.24, 0.5860996805754763),26858,TRUE
Cc1ccc(N(C(=O)C(C)C)[C@H](C=O)[C@@H](C)O)c(-c2ccc(O)c(C)c2C(C)(N)/C=C/C(=O)Oc2cccnc2)c1,0.24, 0.1890827998367594),26865,TRUE
[H]C(=O)C(=O)[C@H](C[H])NCC(C)C,0.24, 0.46355654305464145),26872,TRUE
CC[C@@H](C)[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)Oc1nc2cc(-c3ccc(/C=C(\N)C=O)o3)ccc2c2ccccc12,0.24, 0.08927664594378966),26879,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3ccc4c(c3)OCO4)cc12)c1ccc([N+](=O)[O-])cc1,0.24, 0.09218755197034915),26886,TRUE
[H]c1ccc(=O)oc1-c1cc2ccc(C[C@H](N)C(=O)C=O)c(-c3ccc(F)cc3Cl)c2[nH]1,0.24, 0.3506998897323737),26900,TRUE
CC(/C=C/C=O)NCC(O)(Nc1cccc(Cc2ccccc2)c1)C(N)Cc1ccc(O)c(Cl)c1Cl,0.24, 0.13266390839406902),26907,TRUE
N[C@@H](Cc1ccc(Br)c(-c2nc3ccccc3c3ccccc23)c1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.11633055628889008),26928,TRUE
CC1(S(=O)(=O)NC(N)(c2cc(B(O)O)cc([N+](=O)[O-])c2)[C@H](N)C(=O)C=O)CC1,0.24, 0.06867123586488437),26935,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc12)c1cncc(Br)c1,0.24, 0.1031026187311166),26942,TRUE
C[C@@H](O)[C@@H](C=O)NC(c1cccc(/C=C/C=O)c1)[C@H](N)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.2736420796377843),26949,TRUE
CC[C@H](NC(N)(/C=C/C=O)Cc1nc(C=Nc2cccc(-c3cc(O)c(O)c(O)c3)c2)c(O)o1)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.017790800425456707),26956,TRUE
C[C@H]1O[C@@H](OC(C)(N)/C=C/C(=O)Oc2nc3ccc(C[C@H](N)C(=O)c4nccs4)cc3c3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.06048640878377979),26963,TRUE
CC1(C)[C@H]2CN[C@H](c3nnc(Sc4cccc5c(=O)n(C[C@H](N)C(=O)C=O)[nH]c(=O)c45)n3-c3ccccc3)[C@H]21,0.24, 0.2200026580720921),26970,TRUE
CC(C)[C@@H](C=O)Nc1c(-c2ccccc2)cc(Cl)c(C(C)(N)/C=C/C=O)c1Oc1ccccc1N1C[C@H]2CCC[C@H]2C1,0.24, 0.17797529946037005),26977,TRUE
Nc1ccc(C2CC(N[C@@H](Cc3cccc4cc[nH]c34)C(=O)C(=O)Oc3nc4ccccc4c4ccccc34)C(=O)O2)cc1,0.24, 0.0963352444793006),26984,TRUE
CC(N)/C=C/C(=O)Oc1nc2c(Sc3nncn3-c3ccccc3)cccc2c2ccc(-c3ccc(N)cc3)cc12,0.24, 0.10312402072501488),26991,TRUE
CC(C)C(C(=O)N[C@@H](C(C)C)[C@@H](O)C[C@H](C=O)Cc1cn(C)cc1C(C)(N)/C=C/C=O)c1ccc(O)cc1,0.24, 0.22072098054736716),26998,TRUE
Nc1nc(CNc2ccc(Nc3cc(Cl)c(C[C@H](N)C(=O)C=O)cc3N)cc2)cs1,0.24, 0.19190097161745293),27005,TRUE
Cc1cc(O)cc(N2C[C@H]3CCC[C@H]3C2)c1C([C@H](C)NC(=O)C(=O)[C@H](C)N)[C@H](O)[C@H](C)N,0.24, 0.3770985445569157),27012,TRUE
N#Cc1cccc(C(C2CCC2)C(N)(/C=C/C=O)Oc2nc3ccccc3c3ccc(NS(=O)(=O)c4ccc(N)cc4)cc23)c1,0.24, 0.056390170080869995),27019,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc2ccccc2s1,0.24, 0.6433516949489638),27026,TRUE
C[C@H]1O[C@@H](OC(=O)[C@H](CO)NC(N)(/C=C/C=O)Cc2cc(-c3ccccc3)nn2CC2CC2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.08519364543946115),27033,TRUE
[H]C(=O)/C=C/C(N)(C[H])c1ccc(O)cc1C[C@H](N)C(=O)C=O,0.24, 0.36756948944385204),27040,TRUE
C[C@H](NC(=O)C(=O)[C@@H](N)Cc1ccc(-c2cccc3c2[nH]cc3)cc1)[C@@H](C)O,0.24, 0.4718051202992636),27047,TRUE
Cc1cc([C@@H]2CC3CCCCC3C(Oc3nc4ccccc4c4ccccc34)N2)cc(C)c1C([C@H](N)C(=O)C=O)[C@H]1COC(=O)C1C,0.24, 0.10131355278601628),27054,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)NC[C@H]1O[C@H](C)C(C(F)(F)F)[C@H]2CCCC[C@H]12,0.24, 0.2228269847758782),27061,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2cc(-c3ccc(N)cc3)c(N3C[C@H]4[C@@H](C3)C4(C)C)c(NC(C)(C)C)c12,0.24, 0.10311120346559553),27068,TRUE
CC(C)[C@@H](C=O)N(C(=O)c1cnccn1)c1ccc(-c2cccc(Cl)c2)c(/C=C/C=O)c1C(C)(N)/C=C/C=O,0.24, 0.2712299979877658),27075,TRUE
CC(C)C(=O)N(C(=O)[C@H](C)N)[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2cccc(N[C@@H](CCC=O)C(=O)CF)c12,0.24, 0.13283196671227485),27082,TRUE
CC(/C=C/C(=O)OCCc1cncs1)(NC1(N)CC1)c1c(Cl)cccc1NS(=O)(=O)C1(C)CC1,0.24, 0.2325117956803438),27089,TRUE
C[C@@H](C=O)Nc1cc(NC(=O)C(=O)[C@H](C)N)ccc1-c1ccccc1-c1cccc(C#N)c1,0.24, 0.3618730080171753),27096,TRUE
N[C@@H](Cc1cccc2cccc(C[C@H](N)C(=O)c3nc(-c4ccccc4/C=C/C=O)cs3)c12)C(=O)C=O,0.24, 0.1360916673954155),27103,TRUE
[H]OC(=O)C(=O)[C@H](CCC)Nc1cc(C)cc([H])c1C[C@H](N)C(=O)C=O,0.24, 0.42775922442396225),27110,TRUE
CC(C=O)NC(/C=C/C=O)(Cc1cc(N[C@@H](C=O)CC(C)(C)Nc2ccc([N+](=O)[O-])cc2Cl)c(Cl)cc1Cl)NCC=O,0.24, 0.058741351068130936),27117,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)NC(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2ccc(Cc3cccnn3)cc12,0.24, 0.1168039864402377),27131,TRUE
CC(C)[C@H](Nc1cc(N)ccc1NC(=O)C(=O)[C@H](C)NC(C)(N)/C=C/C=O)C(=O)C[C@@H](C)C=O,0.24, 0.08796308638171826),27138,TRUE
CC(N)(/C=C/C(=O)Nc1cc(Cl)c(N[C@H]2c3ccccc3C[C@H]2O)c(Cl)c1)c1cc(=O)c2c(O)cc(O)cc2o1,0.24, 0.17441972092265004),27145,TRUE
Cc1cccc2c(-c3cc(-c4ccc5[nH]c(OCC=O)cc5c4C[C@H](N)C(=O)C=O)ccc3Cl)ccnc12,0.24, 0.20106821576335332),27152,TRUE
CC[C@H](NC(C)/C=C/C(=O)Oc1nc2c(-c3nc4ccccc4c4ccccc34)cccc2c2ccc(NC)cc12)C(=O)O,0.24, 0.09369565307624174),27159,TRUE
N[C@@H](C[C@H]1CN1c1cc(-c2ccc(F)c(N3CCOCC3)c2)cc(Cl)c1Cl)C(=O)C=O,0.24, 0.38360039886978525),27166,TRUE
C=C[C@@H]1C[C@]1(N)c1cc2nc(OC(=O)C(=O)[C@H](C)NC=O)c3ccccc3c2cc1-c1ccc(Br)cc1,0.24, 0.10586185710754994),27173,TRUE
NC(=O)C(=O)[C@@H](N)Cc1c(Cl)cccc1C=O,0.24, 0.5734171076322205),27180,TRUE
Cc1c(C(C)(N)/C=C/C=O)ccc(O)c1-c1cccc(Oc2nc3c(-c4nc(S)[nH]c(=O)c4C#N)cccc3c3ccccc23)n1,0.24, 0.0538230882923916),27187,TRUE
CC(C)[C@H](N)C(=O)C[C@@H](C)C(=O)N(C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.17655670788366745),27201,TRUE
[H]c1cc(S(N)(=O)=O)ncc1NC(=O)C(=O)C(N)C[C@H]1COC(=O)C1C,0.24, 0.41198922043566094),27208,TRUE
CC[C@@H](C=O)NC(N)(Cc1c[nH]cc2nc(-c3c(Cl)cccc3C[C@H](N)C(=O)C=O)nc1-2)C(=O)C(F)(F)F,0.24, 0.14817366640549431),27215,TRUE
Cc1nc(CC(/C=C/C=O)N[C@@H]2C[C@@H]3CC(Oc4nc5ccccc5c5ccccc45)CC[C@@H]3CN2)cs1,0.24, 0.17705706971501042),27229,TRUE
CCCCC1(CC(N)C(=O)C(N)=O)C(=O)C(CCC)=C(O)OC1(CC(N)/C=C/C(=O)O)Oc1cc(O)c2c(=O)c(O)coc2c1,0.24, 0.10894646563241685),27250,TRUE
[H]NC1N[C@H](C[C@H](N)C(=O)C=O)CC2(O)CCCCC12[H],0.24, 0.38544156925245093),27264,TRUE
CC(N[C@@H](C)C(=O)N(C=O)N(C=O)CCC(N)=O)OC(C)(/C=C/C=O)N(Cc1csc(N)n1)C(C)C,0.24, 0.10817428083182108),27271,TRUE
CC(/C=C/C=O)NC(=O)C(C)(C)c1nc2ccccc2c2cccc(N(C(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O)C3CC3)c12,0.24, 0.11083160222547864),27278,TRUE
CC(C)(Oc1cccc2c1c(OC(=O)/C=C/C(C)(N)c1oc3cccc(O)c3c(=O)c1O)nc1ccccc12)C(N)=O,0.24, 0.12714757735417645),27285,TRUE
CC(C)COC(C)(N)/C=C/C(=O)N(C(=O)C(c1cc(=O)c2c(O)cc(O)cc2o1)C(C)C)[C@H](C=O)[C@@H](C)O,0.24, 0.1901301402653596),27292,TRUE
C[C@H]1COC(=O)C1CC(N)(/C=C/C(=O)Nc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1,0.24, 0.1875761678789784),27299,TRUE
CC[C@H](C)C1CN(C(C)(N)/C=C/C=O)CC(Sc2nnc(Nc3ccccc3Cl)n2-c2ccccc2)O1,0.24, 0.2653023479239427),27306,TRUE
C[C@H](NCc1cccc(Cl)c1-c1ccccc1)C(=O)C(=O)NC(=O)CC[C@H](N)C=O,0.24, 0.3924077912101951),27313,TRUE
C[C@H](NC(C)(C)C)C(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.8156759342909632),27320,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2cc(-n3cc4c(c3)C(=O)C=CC4=O)cc(CN3C(=O)C(=O)c4cc(F)ccc43)c12,0.24, 0.12457525191696905),27327,TRUE
CNC(=O)/C=C/C(C)(NCc1cccc(C#N)c1)N1C(Oc2nc3ccccc3c3ccccc23)[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.17673548334444483),27334,TRUE
C[C@@H](O)[C@H](N)C(=O)[C@@H](CO)C(=O)N(C(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2ccccc12)[C@@H](CCC(N)=O)C(=O)C(F)(F)F,0.24, 0.07083157156343767),27341,TRUE
CC(/C=C/C=O)NC(N[C@H](C=O)[C@@H](C)O)C(=O)Oc1nc2ccccc2c2ccc(-c3ccccc3)cc12,0.24, 0.09201543816966),27348,TRUE
CC(C)N[C@@H](Cc1cccc(Cl)c1-c1ccc(F)cc1Cl)C(=O)C=O,0.24, 0.5675967839533403),27362,TRUE
CC(C=O)NC(N)(/C=C/C=O)C[C@H]1C(OCC(N)=O)OC(=O)C1(C)CC(=O)[C@@H](N)CC(C=O)[C@@H]1CCCN1,0.24, 0.060057362561234146),27369,TRUE
CC(=O)N(C)c1cc(F)ccc1C(c1ccc(C(=O)C(F)F)o1)[C@H](N)C(=O)C=O,0.24, 0.40529927227890344),27376,TRUE
C[C@H]1C(C(F)(F)F)OC(=O)C1(C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)C[C@H](CC=O)N[C@H](C=O)CCCCN,0.24, 0.06754550462790655),27390,TRUE
Cc1cc(-c2oc3cccc(O)c3c(=O)c2O)cc(C)c1Oc1c2c(c(C3(N)CC3)n1C(C)(N)/C=C/C=O)C(=O)C=CC2=O,0.24, 0.17658129355500082),27397,TRUE
Cc1cccc(-c2c(C[C@H](N)C(=O)c3nc(Oc4coc5cc(O)cc(O)c5c4=O)cs3)ccc(C(C)(N)/C=C/C=O)c2N)c1,0.24, 0.062194209873018325),27404,TRUE
[H]N[C@@H](C[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C=O,0.24, 0.3148898984685235),27411,TRUE
CC(N)(/C=C/C(=O)OC(C=O)N(C(=O)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1)c1ccc(C=O)o1,0.24, 0.14651430359068507),27418,TRUE
Nc1c(C[C@H](N)C(=O)C=O)ccc(F)c1-c1ccc2[nH]cnc2c1,0.24, 0.37403244514146233),27425,TRUE
CC(C)C[C@@H](C=O)Nc1c(Cl)c(O)c(C[C@H](NC[C@@H]2C[C@H]3CCCC[C@@H]3[C@@H](C)O2)C(=O)C=O)c(Cl)c1Cl,0.24, 0.16850591332713394),27432,TRUE
Cc1cccc(-c2cccc3c(OC(=O)/C=C/C(C)(N)N4CCC(Sc5ccccc5)NC4=O)nc4ccccc4c23)c1,0.24, 0.12033370783345032),27439,TRUE
CC(/C=C/C=O)N(C(=O)c1ccc(Cl)s1)C(=O)C(N[C@H](C=O)C(C)(C)Cn1nnc2ccccc21)[C@@H](C)N,0.24, 0.2552934174120914),27446,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@@H](N)C(Oc1nc2ccccc2c2ccccc12)c1cnn(C)c1-c1c(C[C@H](N)C(=O)C=O)cccc1[N+](=O)[O-],0.24, 0.04071680646629691),27460,TRUE
CCCC1=C(O)OC(N[C@@H](Cc2sc(SC)cc2C)C(=O)C=O)CC1=O,0.24, 0.3758840526252692),27467,TRUE
CSc1ccccc1Cc1cc(NC(=O)/C=C/C(C)N)c(-c2cccc3[nH]ccc23)c(-c2ccccc2N)c1Cl,0.24, 0.0871509247046227),27474,TRUE
[H]c1ccc2c(nc(OC(=O)C(=O)[C@H](C)N)c3ccccc32)c1[H],0.24, 0.45474966002437955),27481,TRUE
Cc1c(-c2cc3c(Nc4ccccn4)cc(C[C@H](N)C(=O)C=O)c(-c4ccc(Cl)cc4)c3[nH]2)ccc2c(O)ccnc12,0.24, 0.1202352769875524),27488,TRUE
CC1CCN(c2c(O)ccc(C[C@H](N)C(=O)C=O)c2-c2ccccc2)C(NC(C)(C)C)C1,0.24, 0.45206397276172366),27495,TRUE
N[C@H](C(=O)C=O)C(c1ccc(Oc2nc3ccccc3c3ccccc23)cc1F)c1cccc(Cl)c1Cl,0.24, 0.1405687847372938),27502,TRUE
CC(N)/C=C/C(=O)N(C(=O)c1cnccn1)S(=O)(=O)c1cccc(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)n1,0.24, 0.29924257601110477),27509,TRUE
CCCNC1Oc2cc(/C=C/C(=O)NC(/C=C/C=O)Cn3[nH]c(=O)c4ccccc4c3=O)c(C[C@H](N)C(=O)C(F)(F)F)cc2O1,0.24, 0.16207611322419774),27516,TRUE
CC(OC(=O)/C=C/C(C)(c1cccc(NC(C)(C)C)c1C(F)F)N(CC=O)[C@@H](C)C=O)OC(C)(C)C,0.24, 0.17444410160053936),27523,TRUE
N[C@@H](Cc1cc(B(O)O)cc([N+](=O)[O-])c1C(F)(F)F)C(=O)C=O,0.24, 0.19751542327374572),27537,TRUE
C[C@H](NCc1ccn(C)c1)C(=O)C(=O)Oc1c(-c2nc3ccccc3c3ccccc23)cc(-c2cc(F)c(F)cc2F)c2[nH]c(C=O)cc12,0.24, 0.04170008930972431),27544,TRUE
NC(=O)C(=O)[C@@H](N)Cc1nc2c(-c3ccc(-c4ccccc4F)c(Cl)c3)cccc2c2ccccc12,0.24, 0.2408866735443177),27551,TRUE
CCCCC(=O)C(=O)N[C@@H](C)C(=O)C(=O)N1CCNC(OC[C@@H](N)C=O)C1,0.24, 0.2768706409822879),27558,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2cccc(N)c12,0.24, 0.3303441624131991),27565,TRUE
C[C@H](NC1CC2CCCCC2CN1)C(=O)C=O,0.24, 0.5631595038153204),27572,TRUE
CC(C)c1ccc2c(c1)nc(OC(=O)/C=C/C(C)(N)NC(C=O)N[C@@H](CCC=O)C(=O)CF)c1ccccc12,0.24, 0.09309053608620714),27593,TRUE
CCNc1ccc(-c2sc(C[C@H](N)C(=O)C(=O)N3CCNCC3)nc2C)cc1,0.24, 0.6069501191740939),27600,TRUE
CNC(C[C@H](C)N(C(=O)c1ccco1)C(C)(N)/C=C/C(=O)OCC(N)=O)(Oc1nc2ccccc2c2ccccc12)C(=O)O[Na],0.24, 0.0648521978866715),27607,TRUE
Cc1cccc(-c2cccc3c2nc(OC(=O)C(=O)[C@H](C)N)c2ccccc23)c1C(=O)O,0.24, 0.2811171786534791),27614,TRUE
CC(NC(=O)c1cc2ccccc2[nH]1)C(O)CN(CCC(=O)O)C(C)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.09263387136214997),27621,TRUE
NC(=O)C[C@H](N)C(=O)N(C(=O)c1ccc2c(Cn3cc4c(c3)C(=O)C=CC4=O)cccc2n1)[C@@H](Cc1nccs1)C(=O)C(N)=O,0.24, 0.19263133579328007),27628,TRUE
Cn1cc2nc(C(OC(C)(N)/C=C/C=O)[C@@H](N)C=O)nc-2c(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.13161653708790028),27635,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccc(C2CCOC2=O)cc1,0.24, 0.4694372997286932),27642,TRUE
[H]c1c(C[C@H](N)C(=O)C=O)cccc1-c1cccc2ccc(-c3cccc(=O)o3)cc12,0.24, 0.39511185113525155),27649,TRUE
NC(=O)C([C@H](N)C(=O)Nc1c(C[C@H](N)C(=O)C=O)cccc1Sc1ccccc1)n1cc2c(c1)C(=O)C=CC2=O,0.24, 0.19693694113183446),27656,TRUE
CC(C)CC(=O)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2cccc(N[C@@H](C=O)CC(C)C)c12)N1C[C@H]2CCC[C@H]2C1,0.24, 0.10644632260139325),27663,TRUE
CCC[C@H](NC(=O)/C=C/c1ccc(-c2c(O)c(O)cc(C3CCCCC3)c2C(C)(N)/C=C/C=O)cc1)C(=O)C=O,0.24, 0.12929275615560296),27670,TRUE
CCNC(/C=C/C=O)Cc1cnc(Cc2ccc3c(c2)OCO3)cc1-c1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.18669973109824692),27677,TRUE
COc1cccc(Nc2cc(Oc3nc4ccccc4c4ccccc34)cc(F)c2C[C@H](N)C(=O)C=O)c1,0.24, 0.1490224392069323),27684,TRUE
Cc1c(O)cccc1N1CCN[C@H](C[C@H](N)C(=O)C(=O)N[C@H](C=O)[C@H](C)O)C1OCC(C)(C)OCC(N)=O,0.24, 0.11829188739802106),27691,TRUE
N[C@@H](Cc1ccc(-c2cccc3[nH]ccc23)cc1/C=C/C(=O)Nc1ccccc1Sc1nncn1-c1ccccc1)C(=O)C=O,0.24, 0.0947880030281967),27705,TRUE
CC(N)(/C=C/C=O)c1cccc(Oc2nc3ccccc3c3ccc(-n4cc5c(c4)C(=O)C=CC5=O)cc23)c1F,0.24, 0.1643763672826655),27712,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3cc4ccccc4s3)cc12)Nc1cc(Cl)cc(Cl)c1,0.24, 0.0885529066557392),27719,TRUE
CCCC1Oc2ccc(C[C@H](N)C(=O)C(=O)N3C(=O)NCCC3Nc3ccccc3)c(-c3cc(O)c(O)c(O)c3)c2O1,0.24, 0.16333558645578813),27726,TRUE
CCC(=O)N(C(=O)c1cnc(C)cn1)C(C)/C=C/C(=O)Oc1nc2ccccc2c2cc(C[C@H](N)C(C)=O)ccc12,0.24, 0.1853491985006836),27733,TRUE
CC(C)C[C@H](C=O)Nc1c(Oc2ccccc2)ccc2c1nc(OC(=O)/C=C/C(C)NC(C)C)c1cc(C(=O)O)ccc12,0.24, 0.06775615741165174),27740,TRUE
CCCc1nc(C(c2cccnn2)(c2cccc3cc[nH]c23)C(N)(/C=C/C=O)c2cncs2)c(-c2ccc(F)cc2)[nH]1,0.24, 0.13873235699468603),27747,TRUE
C#CC(Oc1ccc(O)cc1)[C@H](N)C(=O)Nc1ccc(-c2c(/C=C/C=O)cccc2C[C@H](N)C(=O)C=O)cc1,0.24, 0.12113780348575945),27754,TRUE
NC(=O)C(=O)[C@@H](N)Cc1cc(=O)c2c(O)cc(O)c(NS(=O)(=O)C3CC3)c2o1,0.24, 0.21563509095685426),27761,TRUE
CC(N)(/C=C/C=O)N[C@H](C=O)CC(O[C@H]1CO[C@H]2OCC[C@@H]12)C(CN)Nc1cc(Cl)cc(Cl)c1,0.24, 0.1762058167983582),27768,TRUE
CC1CCN(c2c(O)cc(O)c3c(=O)c(O)c(C[C@H](N)C(=O)C=O)oc23)C(NS(=O)(=O)c2ccccn2)(c2cccnn2)C1,0.24, 0.12786956067908548),27775,TRUE
COc1ccc2c(c1)c(OC(=O)/C=C/C(C)N)nc1c(NS(=O)(=O)C3CC3)cc(-c3ccc(O)cc3C)cc12,0.24, 0.16245145584641663),27782,TRUE
CC(C[C@H](NC(c1cccs1)[C@H](N)C(=O)C=O)C(=O)C=O)c1ccccn1,0.24, 0.43904939754890515),27789,TRUE
C[C@H](N)C(=O)C(=O)NC(C)(Cc1ccc(Cl)cc1Cl)C(C)(O)Nc1ccc(-c2ccccc2)cc1,0.24, 0.2423461807773321),27796,TRUE
CC(=O)n1ccc2cc(C(CN)CCCC(=O)N([C@@H](C)C(=O)C=O)[C@@H]3CC4CCCCC4CN3)ccc21,0.24, 0.37420996929203504),27810,TRUE
Cc1nc(CC(N)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)c2cccc3cc[nH]c23)cs1,0.24, 0.16017236058860407),27817,TRUE
C[C@@H](O)C[C@H](C=O)Cc1cccc2c1nc(OC(=O)/C=C/c1ccccc1C(C)(N)/C=C/C=O)c1ccccc12,0.24, 0.11893098788005836),27824,TRUE
N[C@@H](Cc1c(F)cc(F)cc1F)C(=O)C=O,0.24, 0.6138095153130573),27831,TRUE
[H]N([H])C(C=O)c1ccc(C[C@H](N)C(=O)C=O)cc1Cl,0.24, 0.5656479290923823),27845,TRUE
CCCc1ccc2c(C(C)(/C=C/C=O)NC(N[C@@H](C)[C@@H](C)O)C(=O)Oc3nc4ccccc4c4ccccc34)c(C(C)C)[nH]c2c1,0.24, 0.037635670528775124),27852,TRUE
C[C@H](N)C(=O)C(=O)Nc1ccc(N)c(Nc2cc(Cl)c(Oc3nc4ccccc4c4ccccc34)c(Cl)c2)c1,0.24, 0.09932440920101973),27859,TRUE
Cc1noc(C)c1-c1cc(N(C=O)C(=O)/C=C/C(C)(N)N2CCCC2N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)N)ccc1N,0.24, 0.132674191704812),27873,TRUE
C[C@H](N)C(=O)C(=O)On1nnc2ccc(Oc3nc4ccc(-c5cccc(Cl)c5)cc4c4ccccc34)cc21,0.24, 0.17642710851784596),27894,TRUE
N[C@@H](Cc1ccc2[nH]c(-c3cccc(Cl)c3Cl)c(Oc3ccccc3)c2c1C[C@H](N)C(=O)C=O)C(=O)C=O,0.24, 0.1867178047422646),27901,TRUE
CC(=O)N(C=O)c1c(F)c(F)c(-c2ccc(O)c(Nc3ccc(Cl)cc3)c2)c(C(C)(N)/C=C/C=O)c1F,0.24, 0.15705721370793588),27908,TRUE
[H]NC(=O)/C=C/c1cc(-c2ccnc3c(C)cccc23)ccc1C[C@H](N)C(=O)C=O,0.24, 0.36665399878319166),27922,TRUE
CC(C)C[C@H](N[C@@H]1C[C@H]2CCCC[C@@H]2CN1)C(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)C=O,0.24, 0.31830410999716935),27929,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2c([H])cccc2c2ccccc12,0.24, 0.45474966002437955),27936,TRUE
C[C@H]1O[C@@H](C[C@H](N)C(=O)C=O)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.3148898984685236),27950,TRUE
Cc1cc(Nc2onc(C)c2[N+](=O)[O-])cc(C)c1-c1ccc2oc(C(C)(N)/C=C/C=O)cc(=O)c2c1O,0.24, 0.13885217354362564),27964,TRUE
[H]C[C@@H](C(O)[C@H](O)[C@H](C)N)N(C(=O)C(=O)[C@H](C)Nc1cccnn1)C(=O)[C@@H](N)CC(C)C,0.24, 0.26923780670392167),27971,TRUE
C[C@@H](OC(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)[C@@H](C=O)N[C@H](C=O)CCCCN,0.24, 0.07496574190858142),27978,TRUE
CC(N)/C=C/C(=O)Nc1cccc(Oc2nc3c(C[C@H](N)C=O)cccc3c3c(Oc4cncc(Cl)c4)cccc23)c1,0.24, 0.10455460737089375),27985,TRUE
N[C@@H](Cc1ccc([SH](=O)=O)nc1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.2029782637420918),27992,TRUE
CC[C@@H](C)[C@@H](C(=O)Oc1nc2ccccc2c2ccccc12)N(C(=O)C(=O)[C@H](C)N)C(=O)c1ccc(Cl)o1,0.24, 0.19738897199867275),27999,TRUE
C[C@H](N)C(=O)C(=O)N(C(=O)/C=C/c1ccccc1)C1(c2ccccc2[N+](=O)[O-])CCC(c2nc3cc[nH]cc-3n2)C1,0.24, 0.14340159725014112),28006,TRUE
Cn1ccc(-c2cccc3c2nc(OC(=O)/C=C/C(C)(N)C2CC4CCCCC4CN2)c2ccccc23)c1,0.24, 0.20406681075498903),28013,TRUE
C[C@@H](N)C(OP(=O)(O)O)C(=O)NC(C)(/C=C/C=O)NC(C=O)C(CC(=O)O)Oc1nc2ccccc2c2ccccc12,0.24, 0.047266662365901296),28020,TRUE
C[C@H](O)[C@@H](C=O)NC(=O)/C=C/C(C)(N)c1cc(=O)c2c(O)cc(C3CC4CCCCC4C(N[C@H](C=O)CO)N3)cc2o1,0.24, 0.14393273485570396),28027,TRUE
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)C(=O)NC1CCC(c2oc3cc(O)cc(O)c3c(=O)c2-c2nc3ccccc3c3ccccc23)C1N,0.24, 0.09924842708164004),28034,TRUE
C[C@@H](O)[C@@H](C=O)NC(=O)C(=O)[C@@H](N)C[C@@H]1CC(c2ccc(Br)cc2C[C@H](N)/C=C/C=O)CN1,0.24, 0.1436799204352155),28041,TRUE
Cc1cccc2c(O)cc(Nc3cc(Nc4ccccc4)ccc3C[C@H](N)C(=O)C=O)nc12,0.24, 0.23729314018311645),28048,TRUE
Cc1cnc(C(=O)N(CCC(C)c2nccs2)C(C)(/C=C/C(=O)O[C@H]2CCOC2)N[C@@H](CCC=O)C(=O)CF)cn1,0.24, 0.13446843111401544),28055,TRUE
CC(N)/C=C/C(=O)N1CCN(C(=O)[C@H](N)CC(C)(C)Oc2nc3c(C[C@H](N)C(=O)c4nccs4)cccc3c3ccccc23)CC1,0.24, 0.12625441544325805),28062,TRUE
CC(C)[C@H](N)C(=O)N[C@@H](Cn1c(-c2ccccc2)cc2ncnc-2c1O[C@@H](C)[C@H](N)C=O)C(=O)C=O,0.24, 0.24038061035958194),28069,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@@H](C)C(=O)N(c1ccc2[nH]ccc2c1)C(/C=C/C=O)Cc1ccc(/C=C/C=O)cc1,0.24, 0.22972007157434274),28076,TRUE
N[C@@H](Cc1cc(C(F)C(=O)c2ccco2)c(Cl)cc1Cl)C(=O)C=O,0.24, 0.45824283846747893),28083,TRUE
CC(N)(/C=C/C=O)c1c[nH]c(-c2ccc(N)c(-n3c(N)nc4cccc(CC(N)C(=O)C(F)(F)F)c43)c2)n1,0.24, 0.13164901137883994),28104,TRUE
[H]OC(=O)C(=O)[C@@H](N)CC1([H])CC1,0.24, 0.5520806892842544),28111,TRUE
CCC1(C)CCN(C(=O)/C=C/C(C)(NC(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O)N(Cc2ccn(C)c2)[C@H](C=O)C(C)C)CC1,0.24, 0.10335951892735497),28118,TRUE
NC(=O)CC[C@H](NC1CCC(C[C@H](N)C(=O)C(=O)Nc2ccccc2)C1c1ccc([N+](=O)[O-])cc1)C(=O)C(F)(F)F,0.24, 0.15883466871937657),28125,TRUE
Nc1ccc(CC(N)(/C=C/C(=O)N[C@@H](CCC=O)C(=O)C(F)(F)F)Oc2ccc(O)cc2)cc1CC1CCOC1=O,0.24, 0.0917969203234431),28132,TRUE
Nc1ccc(Nc2c(C[C@H](N)C(=O)C=O)cc3OCOc3c2-c2ccc(Cl)cc2Cl)cc1,0.24, 0.2659393630476568),28146,TRUE
CCc1cc(CC(N)/C=C/C=O)cc2c([C@H](N)C=O)cn(C(=O)C(NC(C=O)Nc3ccccc3)C3CC3)c12,0.24, 0.14145963051999963),28153,TRUE
CC(C)[C@@H](C=O)Nc1cccc2c1c(OC(=O)/C=C/C(N)Cc1ccc3c(c1)OCO3)nc1ccccc12,0.24, 0.14284775867974928),28160,TRUE
Nc1ccc(C[C@H](N)C(=O)C(=O)On2nnc3c(N4CCn5c(nnc5Oc5nc6ccccc6c6ccccc56)C4)cccc32)cc1,0.24, 0.10725029374149986),28167,TRUE
C[C@H]1COC(=O)C1CC(N)/C=C/C(=O)N[C@H](C(=O)CF)C(CC=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.15632870988682185),28174,TRUE
C[C@H](N)C(=O)C(=O)NS(=O)(=O)C1CC1,0.24, 0.5613258436303354),28181,TRUE
CC(=O)[C@@H](NC(=O)/C=C/C(C)N)C(CC=O)(Nc1onc(C)c1[N+](=O)[O-])N(C(=O)CN)[C@@H](C)/C=C/C=O,0.24, 0.07511081608822875),28188,TRUE
NC(/C=C/C=O)C[C@H]1COC(=O)C1(C[C@H](N)C(=O)C(F)(F)F)c1c(O)c(Cl)cc(Cl)c1Cl,0.24, 0.20884547175099805),28195,TRUE
CC(=O)[C@@H](N)Cc1ccc(OC(C)(N)/C=C/C(=O)N(C)C)c2cc(C(=O)N[C@H](C=O)CC(N)=O)[nH]c12,0.24, 0.14552439649767465),28202,TRUE
Cc1c(C[C@H](N)C(=O)C=O)cc(-c2cccnn2)c(N(C=O)c2ccnc(S)n2)c1O,0.24, 0.20353005572928304),28209,TRUE
Cc1cccc2ccc(C(C)(/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)N(CC(C)C)C(C)C)nc12,0.24, 0.1153766420319605),28216,TRUE
CC(/C=C/C(=O)Oc1nc2cccc(C[C@H](N)[C@@H](O)C[C@H](C)N)c2c2ccccc12)NC[C@@H](O)[C@H](C)N,0.24, 0.12027887100191742),28223,TRUE
CC(C)C[C@H](C=O)NC(CCN)C[C@@H](C=O)N(C(=O)c1sccc1-c1cc(O)c(O)c(O)c1)C(C)/C=C/C=O,0.24, 0.11780677881061381),28230,TRUE
CC(C)[C@@H](C=O)c1c(-c2c[nH]c(-c3ccc4[nH]ccc4c3)n2)ccc(C(C)(/C=C/C=O)NC(=O)c2ccc(Cl)o2)c1F,0.24, 0.12074439852777955),28237,TRUE
CC(=O)[C@@H](N)C(c1c(O)cc(O)c2c(=O)cc(C[C@H](N)C(=O)C=O)oc12)N(CC=O)CC[C@H](N)C=O,0.24, 0.14131816450899648),28251,TRUE
N[C@@H](COc1nc2ccccc2c2ccccc12)C(=O)C=O,0.24, 0.44104428141651),28258,TRUE
CC(C)C[C@H](C=O)Nc1[nH]c(Oc2ccc(Oc3nc4ccccc4c4ccccc34)cc2)cc2nc(C(C)(N)/C=C/C=O)nc1-2,0.24, 0.07430142260530644),28265,TRUE
[H]c1ccc(C[C@H](NCC(C)C)C(=O)C=O)s1,0.24, 0.5813704512761095),28272,TRUE
N[C@@H](C[C@@H]1CNCC(c2cc(O)c(O)c(O)c2)N1)C(=O)C(=O)Oc1nc2ccccc2c2cccc(NS(=O)(=O)C3CC3)c12,0.24, 0.06178927046337146),28279,TRUE
Cc1cccc(Oc2c(OC(C)(/C=C/C=O)NCC(C)(C)c3c(F)cc(F)cc3F)cnc(OC(C)C)c2Cl)c1,0.24, 0.13708603241362283),28293,TRUE
[H]N[C@@H](C)C(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O,0.24, 0.6389847721677167),28300,TRUE
[H]CC1C(=O)OC[C@@H]1C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccc(-c3ccc(N)cc3)cc12,0.24, 0.1836975736903035),28307,TRUE
CC(C)(C)c1c(B(O)O)cc(CC(N)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)cc1[N+](=O)[O-],0.24, 0.08514165929188094),28321,TRUE
Cc1cccc(C)c1-c1ccc2c(c1)c(OC(=O)/C=C/C(C)NC[C@@H](O)[C@@H](N)Cc1ccccc1N)nc1ccccc12,0.24, 0.07383020983832622),28328,TRUE
COC(c1c(C)cc(SC)s1)[C@H](N)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C,0.24, 0.604397716987137),28335,TRUE
Cc1cc(O)ccc1C[C@H](NCc1ccccc1Sc1cccc(Oc2ccnc3c(C)cccc23)c1)C(=O)C=O,0.24, 0.13275554744783563),28342,TRUE
CC(N)C(O)CN[C@@H](C)C[C@H](O)[C@H](C)Nc1c(O)cc(O)c2c(=O)c(O)c(C(C)(N)/C=C/C=O)oc12,0.24, 0.08037328074629294),28349,TRUE
CC[C@H](C)Nc1ccc(Oc2nc3ccccc3c3cccc(Nc4cc(Cl)cc(Cl)c4)c23)cc1NC(=O)/C=C/C(C)N,0.24, 0.09241652670258445),28356,TRUE
C[C@H](NC1(Nc2c(O)c(Cl)cc(Cl)c2Cl)CC1C(=O)/C=C(\O)C(=O)O)C(=O)C(=O)Nc1ccc(N)cc1,0.24, 0.04230941958172509),28363,TRUE
CC(N)/C=C/C(=O)Oc1ccnc2c(C(Nc3cc(Oc4nc5ccccc5c5ccccc45)ccn3)c3ccc(/C=C(\N)C=O)o3)cccc12,0.24, 0.05470972949502612),28370,TRUE
Cc1csc(C(Sc2c(CC(=O)[C@H](C)N)cccc2N[C@H](C=O)[C@@H](C)O)[C@H](NC[C@@H](O)[C@H](C)N)C(=O)C=O)n1,0.24, 0.08650406751144636),28377,TRUE
CC(/C=C/C(=O)Oc1ccc(O)cc1)N(C(=O)c1cc(C(C)(C)C)c(Cl)o1)C(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.1446132959467217),28384,TRUE
CC(C)c1c(-c2cc(O)cc(-c3ccc(C=O)o3)c2)ccc2c1nc(OC(=O)/C=C/C(C)(N)N1CCCC1)c1ccccc12,0.24, 0.08449529065184774),28391,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccc(-c3ccccc3)cc2c2ccc(-c3ccc(/C=C/C(=O)OCC(C)C)cc3)cc12,0.24, 0.1107094252406444),28398,TRUE
[H]C(=O)C(=O)[C@H](CC1OC(O)=C(CCC)C(=O)C1n1nnc2ccccc21)N[H],0.24, 0.5421280556645341),28405,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc(F)c(F)cc1F,0.24, 0.47206616007656593),28412,TRUE
NC(/C=C/C=O)Cc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)nn1Cc1ccc(Cl)cc1Cl,0.24, 0.21417571425283208),28419,TRUE
COC(=O)c1cc2c(C[C@H](N)C(=O)C=O)ccc(NC(=O)[C@@H](N)CC(C)C)c2[nH]1,0.24, 0.2755649764170351),28426,TRUE
[H]NC1OC(=O)C[C@H]1c1cc([N+](=O)[O-])c([H])cc1CN[C@@H](C)C(=O)C=O,0.24, 0.23576824914411554),28433,TRUE
N[C@@H](Cc1oc2cc(O)c(-c3nc4cc[nH]c(-c5cc(-c6cccc(/C=C/C=O)c6)no5)c-4n3)c(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.09037743949941905),28440,TRUE
CC[C@H](C)c1ccc2c(nc(OC(=O)C(=O)[C@@H](N)Cc3nc4ccn(C)cc-4n3)c3ccccc32)c1CC(N)C(=O)C(N)=O,0.24, 0.11537744442427772),28447,TRUE
CSc1ncc(Oc2ccc(O)cc2)cc1C(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.11014662826632592),28454,TRUE
C#CC[C@H](N)C(=O)N[C@@H](C)C(=O)C(=O)Oc1nc2c(N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)N)cc(N(C)C)cc2c2ccccc12,0.24, 0.07648983643258818),28461,TRUE
C[C@H](N)C[C@H](O)[C@H](C)NC(NC(=O)c1cc2c(C[C@H](N)C(=O)C=O)cccc2[nH]1)c1ccc(Cl)cc1,0.24, 0.1223389029017575),28468,TRUE
Cn1ccc(CN[C@@H](Cc2oc3c(-c4ccc(C(=O)CF)o4)c(O)cc(O)c3c(=O)c2O)C(=O)C=O)c1,0.24, 0.14006951573534812),28475,TRUE
CCC(CN(C(=O)C(C)C)C(C)(/C=C/C=O)c1ccc(C)cc1-c1ccc(-c2cnc(C(=O)[C@H](C)N)s2)c(=O)o1)[C@H]1CO1,0.24, 0.1223162168916456),28482,TRUE
CCCc1cc(C(=O)NC(/C=C/C=O)(NCc2ccc(/C=C(\N)C=O)o2)C(c2ccccc2)c2csc(C)n2)sc1Cl,0.24, 0.08921023696789722),28489,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C=O)CC(CC(N)=O)Oc1nc2c(N[C@H](C=O)[C@@H](C)O)cccc2c2ccccc12,0.24, 0.10845068332171573),28496,TRUE
CC[C@H](NCC=O)C(=O)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1ccccc1F,0.24, 0.13939564514983982),28503,TRUE
C#CC[C@H](N)C(=O)N(c1cccc2[nH]c(C=O)cc12)[C@@H](Cc1nc(-c2cccs2)[nH]c1Nc1ccccc1)C(=O)C=O,0.24, 0.09809177499616294),28510,TRUE
[H]c1cccc2c1nc(OC(=O)[C@@H](N)[C@H](C)OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.3638944206807786),28524,TRUE
[H]NC(=O)C(=O)[C@@H](N)Cc1ccc(F)cc1Cl,0.24, 0.7521402820259596),28538,TRUE
CC(O)C(N)CN[C@@H](Cc1ccc(F)cc1Cl)C(=O)C=O,0.24, 0.47838637724107913),28545,TRUE
Nc1ccc(Nc2ccccc2CNC(/C=C/C=O)Cc2ccc(/C=C/C=O)cc2)cc1-c1oc2cc(O)cc(O)c2c(=O)c1O,0.24, 0.05896724922174605),28559,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(C(C[C@H](N)C(=O)O)OCC=O)cccc2c2ccccc12,0.24, 0.1755622928027649),28566,TRUE
CC(N)/C=C/C(=O)N(C(=O)c1cc2ccccc2[nH]1)[C@@H](CC(C(=O)O)c1cccc(/C=C/C=O)c1)C(=O)C(F)(F)F,0.24, 0.2332077577719409),28573,TRUE
C[C@H]1COC(=O)C1CNC1CCNC(=O)N1C(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.24728799210420938),28580,TRUE
CC(C)CC(=O)N[C@@H](C=O)COC(=O)/C=C/C(C)(N)c1nc2c(On3nnc4ccccc43)cccc2c2ccccc12,0.24, 0.10228788733733436),28594,TRUE
CC(/C=C/C(=O)Oc1nc2c(-c3ccc4[nH]cnc4c3)cccc2c2ccccc12)NC(=O)c1cccs1,0.24, 0.15381816703231452),28608,TRUE
Cc1c(-c2ccc3c(OC(=O)C(=O)[C@H](C)N)nc4c(Sc5nncn5-c5ccccc5)cccc4c3c2)ccc2cccnc12,0.24, 0.12282394834674154),28622,TRUE
CC(/C=C/C=O)N(C(=O)CC[C@H](NCC=O)C(=O)C(F)(F)F)C(=O)c1ccc(-c2cc([C@@H]3C[C@H]4CCCC[C@@H]4[C@@H](C)O3)ccn2)o1,0.24, 0.2309390726059239),28629,TRUE
[H]c1cc(NC2CN(C(=O)C(=O)[C@H](C)N)CCO2)c(Cl)cc1[N+](=O)[O-],0.24, 0.45249690682202676),28636,TRUE
Cc1oc(=O)oc1CNC(C)/C=C/C(=O)Nc1ccc(N)c(C[C@H](C[C@@H](C)O)C(=O)Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.06387419172524021),28643,TRUE
CC(C)C[C@@H](C(=O)NC(C)/C=C/C(=O)O[C@H]1CC(N[C@H](C=O)CCCCN)OC1c1cscn1)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.053629199366885746),28650,TRUE
CC(O)C(C)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)NC(=O)c1[nH]c2ccc(F)cc2c1OCC(N)=O,0.24, 0.06480305015548216),28657,TRUE
CCC(=O)N(C1CC1)C(CC(=O)O)Cc1ccc2c(c1)c(OC(=O)/C=C/C(C)(N)NC(C)=O)nc1ccccc12,0.24, 0.14313984992452478),28664,TRUE
NC(/C=C/C(=O)Oc1cccc2[nH]c(C=O)cc12)Cc1ccccc1Sc1nncn1-c1ccccc1,0.24, 0.127544371689044),28671,TRUE
CC1CCN(C(=O)C(=O)[C@H](C)N)C(C2(N)CC2)C1,0.24, 0.6939259719958106),28678,TRUE
[H]N(C(=O)C(=O)[C@H](C)N)C(=O)[C@H](C)CC(=O)[C@@H](N)C(C)C,0.24, 0.5204636006363743),28685,TRUE
CC(N)(/C=C/C=O)c1cc(Sc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2c1,0.24, 0.0811652067046816),28692,TRUE
CC[C@@H](C(=O)Nc1cccc(Nc2ccccc2Cl)c1)N(C(=O)/C=C/C(C)N)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.3138277260934825),28699,TRUE
CSc1scc(C)c1CC(N)/C=C/C(=O)N[C@H](C=O)[C@H](O)Cc1cc(Sc2ncccn2)on1,0.24, 0.1411602270447957),28706,TRUE
[H]Cc1csc(C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)n1,0.24, 0.31887381182999597),28713,TRUE
CC(=O)Nc1c[nH]c2cccc(-c3c(B(O)O)cc(C(C)(N)/C=C/C(=O)Oc4nc5ccccc5c5ccccc45)cc3[N+](=O)[O-])c12,0.24, 0.04046870692524589),28727,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C=O,0.24, 0.4074951474340134),28734,TRUE
CCCCNC(C)(/C=C/C=O)c1cc(C(=O)/C=C(\O)C(=O)O)ccc1/C=C/C(=O)O[C@H]1CO[C@H]2OCC[C@@H]12,0.24, 0.08725089136250513),28741,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NCc1cccc(Cl)c1)C1CC2CCCCC2CN1,0.24, 0.14363511585494693),28755,TRUE
NCC(=O)N(c1c(O)cccc1C[C@H](N)C(=O)C=O)C1CC(CCCC(=O)O)C(c2nnc3n2CCNC3)C1,0.24, 0.17604929624897606),28762,TRUE
C[C@@H](O)[C@H](Nc1ccc(C(C)(N)/C=C/C=O)cc1)C(=O)[C@H](C=O)CC(C)(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.08791041064939173),28769,TRUE
CCC(C)(C)Nc1cc(Nc2cc(Cc3noc(C)c3C(C)(N)/C=C/C=O)nnc2C)cc(NC(C)=O)c1N,0.24, 0.13390263263641433),28776,TRUE
[H]Nc1ccc(CN[C@@H](C)C(=O)C=O)cc1,0.24, 0.41818468531792197),28783,TRUE
C[C@H](N)C(=O)C(=O)N[C@H]([C@@H](O)C[C@@H](C)C=O)C(C)(C)Oc1nc2cc(Nc3ccc(-c4ccccc4)cc3)ccc2c2ccccc12,0.24, 0.0709269810834375),28804,TRUE
C[C@@H](C=O)N([C@H](C=O)CO)C(C)(/C=C/C(=O)OC(C=O)c1ccc(Cl)cc1)NC(=O)c1ccc(OP(=O)(O)O)o1,0.24, 0.07481000888227612),28811,TRUE
[H]N[C@@H](Cc1cc(O)c2c(=O)c(-c3ccn(C)n3)coc2c1)C(=O)C(=O)Oc1ccnc2c(C)cccc12,0.24, 0.26595173313042936),28818,TRUE
NC(/C=C/C=O)(Cc1oc(C=O)cc1Sc1nncn1-c1ccccc1)Oc1nc2ccccc2c2ccccc12,0.24, 0.09901586102591524),28825,TRUE
[H]N(C(=O)C(=O)[C@@H](N)Cc1nnc2n1CCNC2)C(=O)c1cc2c(O)ccc(C3CC3c3ccc(Cl)cc3)c2[nH]1,0.24, 0.21847951485951037),28839,TRUE
CC(C)[C@@H](C=O)NC(c1cccs1)C(N)/C=C/C(=O)N(c1ccccc1[N+](=O)[O-])S(=O)(=O)C1(C)CC1,0.24, 0.18200945630875764),28846,TRUE
Cc1c(-c2ncc(Br)cc2OC(C)(N)/C=C/C=O)c(N[C@H](C(=O)C[C@@H](C)C=O)C(C)C)cc2c(O)ccnc12,0.24, 0.14732532137057663),28853,TRUE
CCC1C2CCCCC2CCN1c1cccc2c(C(C)(N)/C=C/C=O)c(N3CC[C@H]4CCCC[C@@H]4C3)ccc12,0.24, 0.31068715091987564),28860,TRUE
CC(C)CC(=O)Nc1cc(-c2nc3cc[nH]cc-3n2)c(-c2ccn(C)c2)c2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.12583313707183758),28867,TRUE
CC(N)(/C=C/C(=O)N(C(=O)c1cc2ccccc2[nH]1)[C@H]1c2ccccc2C[C@H]1O)NS(=O)(=O)c1ccc(N)cc1,0.24, 0.13150915122674656),28874,TRUE
C[C@H]1O[C@@H](c2ccc(C(C)(/C=C/C=O)NC(=O)c3nc4ccccc4[nH]3)c(-c3cccnn3)c2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.17264607339150087),28881,TRUE
NC(/C=C/C=O)(Cc1nnc2n1CCNC2)Oc1nc2ccccc2c2c(O[C@H]3CO[C@H]4OCC[C@@H]34)cccc12,0.24, 0.1476846544769023),28888,TRUE
CC(/C=C/C=O)NCc1cccc(Cl)c1Cn1cc2c(c1Oc1nc3ccccc3c3ccccc13)C(=O)C=CC2=O,0.24, 0.1173701463948223),28895,TRUE
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)C(=O)NC1CCC(c2ccc([SH](=O)=O)nc2)CC1,0.24, 0.3173076032535533),28909,TRUE
Cc1nc2cc(CC(N)(/C=C/C=O)Oc3nc4c(-c5ccc(O)c(Cl)c5Cl)cccc4c4ccccc34)ccc2n1C,0.24, 0.08671041112142519),28930,TRUE
[H]OC(=O)C(=O)[C@@H](N)CC1CCCCC1,0.24, 0.6600967149765157),28937,TRUE
CC(N)(/C=C/C(=O)N[C@@H](CCC=O)C(=O)C(F)(F)F)c1cc(CC[C@H](N)C(=O)O)c2c(c1)OCO2,0.24, 0.24163241738257968),28951,TRUE
N[C@@H](Cc1cc(O)c2c(=O)c(O)c(C(C=O)NC3CCCC3Oc3ccccc3)oc2c1)C(=O)C=O,0.24, 0.2401550857376863),28958,TRUE
CNC(=O)/C=C/C(C)(N)NCn1nnc2c(O[C@H]3CO[C@H]4OCC[C@@H]34)ccc(C[C@H](N)[C@@H](C)O)c21,0.24, 0.21315942672280527),28965,TRUE
Cc1oc(=O)oc1CN(C[C@@H](O)[C@@H](N)Cn1nnc2c(N[C@H](C=O)C(C)C)cccc21)C(C)/C=C/C=O,0.24, 0.20893588847725764),28972,TRUE
C[C@H](NC(=O)C(=O)[C@@H](N)CC1CC(OC(C)(C)C(N)=O)C1)C(=O)N1C[C@H]2CC(c3cccnn3)C[C@H]2C1,0.24, 0.3737174465880962),28986,TRUE
CC[C@@H](C)[C@@H](C=O)Nc1ccc(C(C)(c2ccc(C(C)=O)o2)C(Oc2nc3ccccc3c3ccccc23)C2CCC2CC(N)/C=C/C=O)cc1,0.24, 0.045891763399437444),29000,TRUE
C=C[C@@H]1C[C@H]1Nc1c(Cl)ccc(/C=C/C(=O)N(C(=O)[C@@H](N)C(C)C)C(C)/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)c1F,0.24, 0.1237518647009549),29014,TRUE
N[C@@H](C[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C(=O)C(=O)Oc1nc2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2c2ccccc12,0.24, 0.11810868444595986),29021,TRUE
C[C@H](NCc1ccc(Cl)cc1)C(=O)C=O,0.24, 0.6115630289945463),29028,TRUE
CSc1cc(C)c(C[C@H](NCC(C)C)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)s1,0.24, 0.13760443453692336),29035,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NC(=O)c1nc2ccccc2[nH]1)c1cccc2cc[nH]c12,0.24, 0.1232122299905757),29042,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc12)Nc1ccc(-c2ccccc2)cc1,0.24, 0.05146006319591756),29049,TRUE
N[C@@H](Cc1nnc(S)n1-c1ccccc1)C(=O)C(=O)O,0.24, 0.5313886737208431),29077,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1oc2c(NC3CCCCC3)c(O)cc(O)c2c(=O)c1O,0.24, 0.055200068318997896),29084,TRUE
N[C@H](C(=O)C=O)C(Nc1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)cc1)c1cccc(/C=C/C=O)c1,0.24, 0.18926199297189125),29091,TRUE
N[C@@H](Cc1c(-c2cc(O)c(O)c(O)c2)ccc2c1[nH]nn2)C(=O)C=O,0.24, 0.25229567061107827),29098,TRUE
CCC(NC1C[C@H]2CCCC[C@@H]2CN1C(=O)C(=O)[C@H](C)N)N[C@@H](CC(C)C)B(O)O,0.24, 0.19750722546435498),29105,TRUE
CC(/C=C/C(=O)Oc1nc2cccc(-c3ccccc3[N+](=O)[O-])c2c2ccccc12)NC(=O)C(=O)[C@H](C)N,0.24, 0.09009325993177636),29112,TRUE
Cn1nc(C[C@@H](C=O)NC(=O)c2ccc(Cl)o2)c(-c2ccc(-c3cccc(Cl)c3)cc2N)c1C[C@H](N)C(=O)C=O,0.24, 0.1376420890351887),29119,TRUE
C#CC[C@H](N)C(=O)NC(C)/C=C/C(=O)Oc1nc2ccccc2c2cc(-c3ccc4[nH]c(-c5cccnn5)nc4c3)ccc12,0.24, 0.10133289727101825),29126,TRUE
CSc1scc(C)c1-c1nnn(CC(N)/C=C/C(=O)N[C@H](C=O)C(C)C)c1-c1c(C)noc1C,0.24, 0.24468698852331558),29133,TRUE
N[C@@H](Cc1nc2ccccc2c2cccc(Sc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c12)C(=O)C=O,0.24, 0.09339735452123682),29140,TRUE
CNC(=O)[C@@H](N)Cc1ccc(-c2ccc(N(C(=O)/C=C/C(C)(N)Oc3nc4ccccc4c4ccccc34)c3ccccc3)cc2)cc1,0.24, 0.0880582788149969),29147,TRUE
N[C@@H](CN1CCCNC1=O)C(=O)C(=O)Oc1nc2cc(Oc3coc4cc(O)cc(O)c4c3=O)cc(-n3ccnn3)c2c2ccccc12,0.24, 0.10554413235526815),29154,TRUE
CC(=O)Nc1cnnn1-c1cc(NC(=O)/C=C/C(Cc2ccccc2)NCc2csc(N)n2)ccc1Cl,0.24, 0.22582498139499585),29161,TRUE
NC(/C=C/C(=O)Oc1nc2ccccc2c2cc(-c3cccc([N+](=O)[O-])c3)ccc12)Cc1ccc(F)cc1Cl,0.24, 0.07986821577213192),29175,TRUE
CC(C)COC1CCNC(=O)N1c1cc2[nH]c(C=O)cc2cc1-c1cn(C)cc1CNC(C)/C=C/C=O,0.24, 0.26817185999676846),29182,TRUE
Cc1noc(C)c1-c1ccc(Nc2ccc(Cl)cc2)c2c1c(OC1N[C@H]1CC(N)/C=C/C=O)nc1ccccc12,0.24, 0.0851353626859111),29189,TRUE
Nc1ccc(NC(OC(=O)C(=O)[C@@H](N)C[C@@H]2CCCN2)[C@@H](N)C=O)cc1,0.24, 0.12312818159874513),29196,TRUE
[H]Oc1cccc2c(OC(=O)C(=O)[C@H](C)NC(=O)[C@H](N)CO)nc3c(O[C@H](C)[C@H](N)C=O)cccc3c12,0.24, 0.10603189562354133),29203,TRUE
CC[C@@H](C=O)Nc1cccc2c1nc(Oc1cc(C=O)sc1C(C)(N)/C=C/C=O)c1ccc([C@H](N)C=O)cc12,0.24, 0.1320910701111053),29210,TRUE
Cc1onc(C(=O)NC(C)(/C=C/C=O)N[C@H](C(=O)O)C(C)c2cccc(C#N)c2)c1N1CCCC1Nc1ccccn1,0.24, 0.14259483857137392),29217,TRUE
[H]c1ccc(N[C@H](C(=O)NC)C(C)(C)C)c2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c12,0.24, 0.3083391315123277),29224,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(C(N)=O)[C@@H](C=O)Nc1ncc(Oc2cccc(C(C)(N)/C=C/C=O)n2)cc1Cl,0.24, 0.2723593371978302),29231,TRUE
Cc1csc(C(CC=O)[C@H](NC(C)(N)/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)CF)n1,0.24, 0.24530578303882863),29238,TRUE
Cc1c(C(c2ccc(/C=C/C(=O)N[C@H](C=O)C(C)C)cc2)[C@H](N)C(=O)C=O)ccc2cccnc12,0.24, 0.2663775054701596),29245,TRUE
Nc1ccc(C[C@H](N)C(=O)C(=O)Nc2ccccc2[C@H]2NC[C@@H]3CCC(c4ccc(/C=C/C=O)cc4)[C@H]23)cc1,0.24, 0.14554112672942904),29252,TRUE
CC(N)(/C=C/C=O)Oc1nc2c(-c3ccccc3)cc(-c3c(F)cc(F)cc3F)cc2c2cc(C(F)(F)F)ccc12,0.24, 0.07446552109375709),29259,TRUE
CC(C)(C)c1c(F)ccc(C(c2cc(O)c(O)c(O)c2)[C@H](N)C(=O)C=O)c1-c1occc1C(F)F,0.24, 0.21445704654833067),29266,TRUE
N[C@@H](CC1CCCCC1)C(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O,0.24, 0.7155177453523062),29273,TRUE
C[C@@H](C=O)NC(c1cc([N+](=O)[O-])cc(B(O)O)c1C[C@H](N)C(=O)c1nc(-c2cccc(Cl)c2Cl)cs1)[C@H](N)C(=O)C=O,0.24, 0.0412893098035756),29280,TRUE
CC(C)C(C(=O)N([C@@H](C)C=O)C(C)(/C=C/C=O)NC(=O)c1ccc2ccccc2n1)c1cc([C@H](N)C=O)ccc1N(C)C,0.24, 0.17616564389701603),29287,TRUE
CC(NC(C(C)C)[C@H](C(=O)[C@@H](N)[C@@H](C)O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)/C=C/C=O)C(=O)C(F)(F)F,0.24, 0.09350424544727959),29294,TRUE
CC(=O)c1ccc(C(C)[C@@H](C=O)Nc2cccc3c2nc(OC(C)(N)/C=C/C=O)c2ccc(C(C)(C)C)cc23)o1,0.24, 0.08144854876395684),29301,TRUE
[H]Nc1cc(Cl)cc([C@H]2NC[C@H]3CCCC[C@H]3C2C(F)(F)F)c1C[C@H](N)C(=O)C=O,0.24, 0.3776065569843698),29308,TRUE
CC(C)C[C@@H](N)C(=O)N1C[C@H]2CCCC[C@@H]2C[C@H]1N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)NC(=O)/C=C/C(C)(N)N[C@H](C=O)C(C)C,0.24, 0.08250256373154868),29322,TRUE
CC(C)(C[C@H](NC(=O)/C=C/C(C)(Nc1cccs1)n1ccc2ncnc-2c1)B(O)O)O[C@H]1CO[C@H]2OCC[C@@H]12,0.24, 0.20719205762472406),29329,TRUE
CC(C)[C@H](NC1CNCCN1C(=O)C(=O)[C@@H](N)Cc1ccc(C=O)s1)C(=O)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F,0.24, 0.1369459310919342),29343,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccc(Br)cc1,0.24, 0.6474913953585798),29357,TRUE
CCCCN(Cc1cccc(Cl)c1)C(C)(/C=C/C=O)Oc1nc2c(NCCC)cccc2c2ccccc12,0.24, 0.0821893326332218),29364,TRUE
C[C@H]1COC(=O)C1CC1OC(=O)C([C@H]2NC[C@H]3[C@@H]2C3(C)C)[C@H]1C[C@H](N)C(=O)C=O,0.24, 0.3457784395136927),29378,TRUE
CSC(C)(/C=C/C(=O)NC1CCCCC1)NCc1ccc(Cl)c(CC(N)C(=O)C(F)(F)F)c1,0.24, 0.32156912622364997),29385,TRUE
[H]N(c1ccc(C[H])c(C[C@H](N)C(=O)C=O)c1C)[C@@H](C)C=O,0.24, 0.5712461020164392),29399,TRUE
C[C@@H](O)[C@H](NC(N)(/C=C/C=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)[C@H](C=O)CC(C)(C)N1CC[C@H]2CCCC[C@@H]2C1,0.24, 0.11610472894274387),29406,TRUE
C[C@@H](C=O)NC(C)(/C=C/C(=O)NC(C=O)CCC(=O)O)c1oc2c(-c3ccccc3)c(O)cc(O)c2c(=O)c1O,0.24, 0.1417286741914433),29413,TRUE
Cc1ccc(CC(NC(C)/C=C/C(=O)N[C@H](C(=O)O)C(C)c2cccc3[nH]ccc23)c2cc(N[C@H](C=O)[C@@H](C)O)ccn2)cc1,0.24, 0.08522714398843408),29420,TRUE
[H]C[C@@H](O)C(NC(C)[C@@H](C=O)NC(=O)/C=C/C(C)(N)Oc1ccnc2c(C)cccc12)C(=O)C(C)=O,0.24, 0.14722630636984077),29427,TRUE
NC(/C=C/C=O)(Cc1ccc2c(c1)OCO2)NC(=O)Nc1cc(Nc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1Cl,0.24, 0.07976374032718771),29434,TRUE
CC(=O)[C@@H](N)Cc1cccc(N=Cc2nc(Cc3ccc4c(c3)OCO4)oc2OC(=O)/C=C/C(C)N)c1,0.24, 0.2409619351451386),29441,TRUE
C[C@H](NC(C)(/C=C/C(=O)Nc1ccccc1)NCc1csc(Oc2nc3ccccc3c3ccccc23)n1)[C@@H](C)O,0.24, 0.08812327041161631),29448,TRUE
CC(C)(NC(C)(/C=C/C=O)C1CCCC1)Oc1nc2ccccc2c2c(-c3ccc(C=O)cc3F)cccc12,0.24, 0.10682571895190433),29455,TRUE
C[C@@H](C=O)N(C(=O)C(=O)[C@@H](N)Cc1ccc(/C=C/C=O)cc1)C(=O)c1cc2cc(F)ccc2[nH]1,0.24, 0.2842804935979674),29462,TRUE
Cc1cc(OC(C)(N)/C=C/C=O)ccc1Oc1nc2cc(C[C@H](N)CCC=O)ccc2c2c(C(F)(F)F)cccc12,0.24, 0.09672233312950769),29469,TRUE
N=C(N)c1ccc(Nc2cc(C[C@H](N)C(=O)C=O)cc(-c3ccc4[nH]cnc4c3)c2Br)cc1,0.24, 0.10675280470183528),29476,TRUE
CCCC[C@@H](C=O)NC(C)OC(=O)/C=C/C(N)(Cn1[nH]c(=O)c2cc(Oc3cccnc3)ccc2c1=O)c1ccccc1F,0.24, 0.0846350454430639),29483,TRUE
C[C@@H](C(=O)C=O)N(C(=O)N1CCNCC1Oc1cncc(Cl)c1)c1ccc(C(=O)CF)o1,0.24, 0.35523739179678954),29490,TRUE
[H]c1c(Br)ccc(C[C@H](N)C(=O)C=O)c1[H],0.24, 0.6474913953585798),29497,TRUE
C[C@H](N)C(=O)C(=O)NC1(C[C@H](N)/C=C/C=O)CCC(C=O)CC1c1cccc2cc[nH]c12,0.24, 0.26481201710007946),29504,TRUE
C[C@H](NC(=O)C(N)c1ccccc1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1Cl,0.24, 0.2667540183614356),29511,TRUE
CC(c1ccc(Cl)cc1)[C@@H](C=O)N(Cc1cccc(C#N)c1CC(N)C(=O)C(F)(F)F)C(C)(N)/C=C/C=O,0.24, 0.23413715470570937),29518,TRUE
Cc1ccc(-c2cccc(Cl)c2Cl)c(C(Oc2cccc3[nH]c(C=O)cc23)[C@H](N)C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1,0.24, 0.17912157285602556),29525,TRUE
C[C@H](N)/C=C/C(=O)N(C(=O)CCc1nnc2n1CCNC2)C(C)(/C=C/C=O)C1CC(c2cncs2)C1,0.24, 0.36362352693205247),29532,TRUE
CCCC[C@H](N)C(=O)N[C@@H](C)C(=O)C(=O)Oc1nc2cccc(-c3ccccc3[N+](=O)[O-])c2c2ccccc12,0.24, 0.10050041206654393),29539,TRUE
[H]C(c1cc2occ(O)c(=O)c2c(O)c1C=O)[C@H](N)C(=O)C(=O)NC1CCCC1,0.24, 0.41128169865769293),29546,TRUE
C[C@H](NCc1cn(Cc2cccc([N+](=O)[O-])c2)cc1On1nnc2ccc(-c3ccc(Cl)cc3)cc21)C(=O)C=O,0.24, 0.10754445129159185),29553,TRUE
N[C@@H](Cc1nc(C=Nc2cccc(-c3nc4ccc(-n5[nH]c(=O)c6ccccc6c5=O)cc4c4ccccc34)c2)c(O)o1)C(=O)C=O,0.24, 0.09670850866193893),29560,TRUE
C[C@@H](N)C(C(=O)N(c1ccccc1)C(C)(/C=C/C=O)O[C@H]1CO[C@H]2OCC[C@@H]12)n1[nH]c(=O)c2ccccc2c1=O,0.24, 0.23412715013963176),29567,TRUE
NC(/C=C/C(=O)Nc1ccc(-c2ccc(Oc3nc4ccccc4c4ccccc34)cc2)cc1)Cc1ccc(Cl)cc1,0.24, 0.14209739947948768),29574,TRUE
CC[C@@H](C=O)N(C(=O)Oc1nc2c(N3C[C@H]4CCC[C@H]4C3)cccc2c2ccccc12)C(C)(/C=C/C(=O)O[Na])NCC=O,0.24, 0.11515787077834895),29581,TRUE
CCc1c(Cl)cccc1CN[C@@H](C)C(=O)C(=O)N[C@H](C=O)CCC=O,0.24, 0.45827073342465674),29588,TRUE
Cc1noc(N(C(=O)/C=C/c2cc(CC=O)c3c(c2-c2ccc(/C=C(\N)C=O)o2)OCO3)C(=O)C(=O)[C@H](C)N)c1[N+](=O)[O-],0.24, 0.1054901639785099),29595,TRUE
[H]c1ccc(C)cc1C(N[C@H](C(=O)C[C@@H](C)C(=O)N[C@H](C=O)CCCCN)C(C)C)[C@H](N)C(=O)C=O,0.24, 0.14420195268626787),29602,TRUE
CNC(=O)/C=C/C(C)(N)N[C@H](C(=O)OC(C)C)C(Nc1ccccn1)C(C=O)N[C@@H](C)C[C@H](O)[C@H](C)N,0.24, 0.06348032013996951),29609,TRUE
CCC1(NC)[C@H]2[C@@H](CN1C(c1ccc(Cc3ccc(/C=C/C=O)cc3)nn1)C(N)(/C=C/C=O)C1CC1)C2(C)C,0.24, 0.31659680417871583),29616,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3ccc4cc[nH]c4c3)ccc(-n3cc4c(c3)C(=O)C=CC4=O)c2c2ccccc12,0.24, 0.1721465015988576),29623,TRUE
CCCCc1ccc2c(OC(=O)/C=C/C(C)(N)c3c(C)noc3C)nc3ccc(-c4cscn4)cc3c2c1,0.24, 0.134730766378725),29630,TRUE
CC(C)C(=O)N(C(=O)c1cccs1)C(C)(/C=C/C=O)[C@@H]1C(Oc2nc3ccccc3c3ccccc23)[C@H]1N,0.24, 0.19670470099382173),29644,TRUE
[H]c1cccc(C[C@H](N)C(=O)C=O)c1,0.24, 0.5320470866249444),29651,TRUE
CC(N)/C=C/C(=O)N[C@@H](C)C(=O)c1nc(Oc2nc3ccccc3c3cc(-c4cccs4)ccc23)cs1,0.24, 0.14627262474389294),29658,TRUE
N[C@@H](Cc1cccc(Oc2nc3cc([C@H](N)C=O)ccc3c3ccc(-c4ccccc4O)cc23)c1)C(=O)C=O,0.24, 0.14766411701744642),29665,TRUE
CC(CNC(=O)/C=C/C(C)(N)OC(C)(C)C)N[C@H](C(=O)C(F)(F)F)C(CC(N)=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.12857150436616321),29672,TRUE
C[C@H](N)C(=O)c1ncc(Nc2ccccc2-c2c(C[C@H](N)C(=O)C=O)ccc(F)c2N[C@H](C=O)[C@@H](C)O)s1,0.24, 0.12241388216243512),29679,TRUE
N[C@@H](Cc1cc(O)c(O)c(O)c1)C(=O)C=O,0.24, 0.30946290498045514),29686,TRUE
[H]C1[C@@H](C)O[C@H](CN[C@@H](C)C(=O)C=O)[C@H]2CCCC[C@H]12,0.24, 0.6084713551819491),29693,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccc(CC(=O)Oc3cccc4[nH]c(C(=O)N5CCNCC5)cc34)cc2c2ccccc12,0.24, 0.11415897455806255),29700,TRUE
[H]C([C@@H]1CCCN1)[C@H](N)C(=O)C=O,0.24, 0.4287884119602661),29714,TRUE
N[C@@H](C[C@@H]1C[C@H]2C(c3nnc4n3CC(c3cccc5[nH]ccc35)NC4)CCC(Sc3ncccn3)[C@@H]2CN1)C(=O)C=O,0.24, 0.13762990196434333),29721,TRUE
CC(C)(C)[C@H](N)C(=O)N(c1oc2cc(O)cc(O)c2c(=O)c1O)[C@@H](Cc1cccc2ccccc12)C(=O)C=O,0.24, 0.20605292592970795),29728,TRUE
N[C@@H](Cn1nnc2cccc(-c3c(C4CC5CCCCC5CN4)cc4c(c3CCCC(=O)O)OCO4)c21)C(=O)C=O,0.24, 0.24787937371163507),29735,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc(N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)c2c2ccccc12,0.24, 0.07043155808723692),29749,TRUE
CC(N)/C=C/C(=O)NC(C)(C)CCc1c([C@H](C=O)C(C)Cc2cc(=O)c3c(O)cc(O)cc3o2)cc(O)c(Cl)c1Cl,0.24, 0.14878258271760367),29756,TRUE
N[C@@H](Cc1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)C=O,0.24, 0.34933274991485347),29763,TRUE
C[C@H](N)C(=O)C(=O)Nc1cc(-c2cccc3[nH]c(C=O)cc23)cc(C(CC=O)(Oc2ccccc2)c2ccc(Br)cc2)n1,0.24, 0.12662851716251317),29770,TRUE
C[C@@H](O)[C@@H](C=O)NC(=O)/C=C/C(C)(N)c1ccc(Oc2nc3ccccc3c3ccccc23)cc1OP(=O)(O)O,0.24, 0.08267195912263918),29777,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(N[C@H](C=O)CO)c(Nc3ccc(Cl)cc3)ccc2c2ccccc12,0.24, 0.1157707284918049),29784,TRUE
CC(NC(C)(/C=C/C=O)Oc1nc2c(-c3nc4cc[nH]cc-4n3)cccc2c2ccccc12)c1cccc2ccccc12,0.24, 0.08546539274156253),29791,TRUE
[H]N(C(=O)C(=O)[C@H](C)NC(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O)S(=O)(=O)c1ccc(N)cc1,0.24, 0.12217314187556248),29798,TRUE
CC(N)(/C=C/C=O)c1nc(-c2coc3cc(O)cc(O)c3c2=O)[nH]c1Nc1ccc(-c2ccccc2)cc1,0.24, 0.15304974416559827),29805,TRUE
CC(Oc1cncc(Br)c1)C(=O)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)C1CC2CCCCC2CN1,0.24, 0.12648080429891184),29812,TRUE
CC1C(=O)OC(Oc2cccc(Cl)c2Cl)[C@@H]1C[C@@H](O)[C@H](N)C(=O)[C@@H](CC(C)(C)Oc1ccccc1)C(=O)N[C@@H](C)C(=O)C=O,0.24, 0.11237577754385393),29819,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@H](C=O)Cc1cc(O)cc(-c2cccnc2)c1C(C)(/C=C/C=O)NCc1ccn(C)c1,0.24, 0.18415982806363634),29826,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(CC[C@H](N)C(=O)O)ccc(Oc3coc4cc(O)cc(O)c4c3=O)c2c2ccccc12,0.24, 0.09506915449564307),29833,TRUE
CC(=O)Nc1cc(C2N[C@H]2C(N)(/C=C/C=O)C[C@H]2COC(=O)C2N[C@H](C=O)C(C)(C)C)cc2[nH]ccc12,0.24, 0.1397581526852436),29840,TRUE
CC1C(=O)OC[C@@H]1Cc1c(-c2ccc(O)c(N)c2C[C@H](N)C(=O)C=O)cccc1[N+](=O)[O-],0.24, 0.1042561623663681),29847,TRUE
C[C@@H](C[C@H](O)[C@@H](N)Cc1cc(O)c(O)c(C[C@H](N)CCC=O)c1C(C)(N)/C=C/C=O)NC(=O)c1ccc2ccccc2n1,0.24, 0.077326134932815),29854,TRUE
N[C@@H](Cc1sc(Oc2nc3ccccc3c3ccccc23)nc1C1CCOC1=O)C(=O)C=O,0.24, 0.19254949651199024),29861,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccc(Oc3ccc(-c4ccon4)cc3)cc2c2ccc(Cc3ccc4c(c3)OCO4)cc12,0.24, 0.08306722880569256),29868,TRUE
C[C@H](N)C[C@H](O)[C@H](C)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)C[C@H](O)[C@@H](N)C(C)(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.11944108274316384),29882,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-n3[nH]c(=O)c4ccccc4c3=O)cc(O)cc2c2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc12,0.24, 0.10324445583369334),29889,TRUE
NC(/C=C/C=O)(c1cc(NC2CC2)c(Cl)cc1Cl)C(c1ccno1)(C1CCCC1)n1ccnn1,0.24, 0.3232204756829775),29896,TRUE
CSC(C)(N)/C=C/C(=O)N1CCNC(Cn2cc3c(c2)C(=O)C=CC3=O)(c2c(C)noc2C)C1C(=O)O,0.24, 0.35455545812291656),29910,TRUE
C[C@H](N)C(=O)C(=O)Nc1ccc(C(=N)Nc2cccc(Cl)c2)cc1-c1ccc([N+](=O)[O-])cc1Nc1ccccc1,0.24, 0.05583776461260221),29917,TRUE
[H]c1[nH]c2c(-c3ccc4cccnc4c3C)cc(C[C@H](N)C(=O)C=O)cc2c1C[C@H](N)C(=O)C(F)(F)F,0.24, 0.25328963298650015),29924,TRUE
CC(=O)c1ccc(C(C)(N)/C=C/C(=O)N2CCOC(OC(C)(C)C(=O)Nc3cccc4[nH]ccc34)C2)o1,0.24, 0.31321011520555986),29931,TRUE
Cn1nccc1-c1ccc2c(c1)c(OC(N)(c1ccc([N+](=O)[O-])cc1)[C@H](N)C(=O)C=O)nc1ccccc12,0.24, 0.07953433851335849),29938,TRUE
CC(/C=C/C(=O)N[C@H](C=O)CCCCN)(c1ccc(C(=O)C(F)F)o1)N(C(=O)CO)C(=O)c1cccs1,0.24, 0.14229278298516088),29945,TRUE
C[C@H](N)C(=O)C(=O)OCC(C)(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.40958026952847143),29952,TRUE
N[C@@H](CC1CCCCC1)C(=O)C(=O)N[C@@H](CCC=O)C(=O)C(F)(F)F,0.24, 0.4757005861786177),29959,TRUE
N[C@@H](Cc1cc(O)c2c(=O)c(O)c(C3CCCC3)oc2c1)C(=O)C=O,0.24, 0.5525673131634983),29980,TRUE
O=CC(=O)[C@H](CC1CCC1)NCc1ccc(C=O)c(-c2nc3c[nH]ccc-3n2)c1,0.24, 0.4299693828882327),29987,TRUE
CC(C)(N[C@@H](Cc1ccc2[nH]ccc2c1)C(=O)C(=O)Oc1ccccc1)OP(=O)(O)O,0.24, 0.12942848155978062),29994,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3cccnc3)ccc(-c3cnc(C(=O)[C@H](C)N)s3)c2c2ccccc12,0.24, 0.13933478727254645),30001,TRUE
C=C(CC)C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])c(N)c1C(Nc1ccc(N)cc1)[C@H](N)C(=O)C=O,0.24, 0.05762570122175233),30008,TRUE
Cc1cccc(C)c1Oc1nc(C(NC(C)/C=C/C=O)Oc2nc3ccccc3c3ccccc23)cs1,0.24, 0.09919395205951044),30015,TRUE
C[C@@H](O)[C@H](Cc1cccc2c1nc(Oc1cc3cccc(C(C)(N)/C=C/C=O)c3[nH]1)c1ccccc12)NCc1ccc(Cl)cc1,0.24, 0.06870361849950334),30022,TRUE
Cc1nc(CC(N)(/C=C/C(=O)OC(Cc2ccc(F)cc2)Oc2nc3ccccc3c3ccccc23)O[C@H]2CO[C@H]3OCC[C@@H]23)cs1,0.24, 0.0790345582904457),30029,TRUE
CNC1CCNC(=O)N1C(N)(CCC(=O)O)C(=O)N(C(=O)C(C)N)[C@@H](CC1CCOC1=O)C(=O)C=O,0.24, 0.10178027298245038),30036,TRUE
NC(=O)C[C@H](N)C(=O)NC(=O)C(=O)C(N)Cc1c(O)cc2oc(CC(N)/C=C/C=O)c(O)c(=O)c2c1O,0.24, 0.08256116162573789),30043,TRUE
C[C@H](NC(c1cccc(Cl)c1-c1cc(O)c(O)c(O)c1)[C@@H]1C[C@@H]2CCCC(Cn3cc4c(c3)C(=O)C=CC4=O)[C@@H]2CN1)C(=O)C=O,0.24, 0.12587982916099696),30064,TRUE
N[C@@H](CC=O)Cc1cccc(C(c2ccccc2CC=O)[C@H](NC(=O)c2ccc(Cl)o2)C(=O)C=O)c1Cl,0.24, 0.24884668686532965),30071,TRUE
CC[C@@H](N)Cc1ccc2nc(OC(=O)C(=O)[C@H](C)Nc3cccc4ccccc34)c3cccc(N[C@H](C=O)C(C)C)c3c2c1,0.24, 0.0657344445630867),30078,TRUE
Cc1noc(Nc2cccc3c2c(OC(=O)C(=O)[C@H](C)N)nc2cccc(Oc4ccccc4)c23)c1[N+](=O)[O-],0.24, 0.09185157053710426),30085,TRUE
CC(C)[C@H](N)C(=O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.28354754560726236),30092,TRUE
CC(C)C[C@@H](N)C(=O)N[C@@H](CCc1c(CN[C@@H](C)C(=O)C=O)cc(C#N)cc1C[C@H]1COC(=O)C1C)C(=O)O,0.24, 0.14148664102843062),30099,TRUE
Cc1c(O)ccc(-c2ccc(O)cc2)c1-c1c(Cl)cc(Cl)cc1NC(=O)C(=O)[C@H](C)N,0.24, 0.40562188139857386),30106,TRUE
Cc1c(C[C@H](N)C(=O)C=O)ccc(O)c1Oc1nc2ccccc2c2ccccc12,0.24, 0.289661665710546),30113,TRUE
[H]C(c1c(Cl)cccc1Sc1ncc(C#N)c(=O)[nH]1)[C@H](N)C(=O)C(=O)OC[C@@H](N)C=O,0.24, 0.2029102005859782),30127,TRUE
Cc1cc(Nc2cc(C(F)(F)[C@H]3CN3)cc(Sc3ccccc3)n2)c(C(C)(/C=C/C=O)NC(=O)c2cc(C)on2)nn1,0.24, 0.12591842378097284),30134,TRUE
C=C[C@@H]1C(Oc2nc3cccc(SC)c3c3c(Sc4ccccc4)cc(CCC)cc23)[C@]1(N)C(C)(N)/C=C/C=O,0.24, 0.06641146881676653),30141,TRUE
[H]C(=O)C(=O)[C@@H](N)CC1CCCC1,0.24, 0.4965358432324098),30155,TRUE
CC(N)(/C=C/C=O)c1cc(C(Sc2ccccc2C(F)F)C(C=O)Oc2ccc(O)cc2)c(/C=C(\N)C=O)o1,0.24, 0.15303101006496378),30169,TRUE
Cn1ccc(-c2c3c(c(-c4cc(B(O)O)cc([N+](=O)[O-])c4)n2C(N)(/C=C/C=O)Cc2cccc(Cl)c2Cl)C(=O)C=CC3=O)c1,0.24, 0.08256816608197431),30176,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)(N)/C=C/C=O)c(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.062247524634833885),30183,TRUE
CCC12CCCCC1CN(C(=O)/C=C/c1ccc3c(c1)OCO3)[C@H](NC(C)(/C=C/C=O)N[C@@H](C)C=O)C2,0.24, 0.28123814089473087),30190,TRUE
Cc1ccc(C2(C)C(=O)OC[C@@H]2NC(/C=C/C(=O)OC(C)(C)C(=O)NCc2cccnc2)CC2CCCCC2)cc1,0.24, 0.3026724175962188),30197,TRUE
[H]C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3cncc(Br)c3)cccc2c2cccc(N)c12,0.24, 0.2044109355138134),30204,TRUE
N[C@@H](Cc1c(F)cccc1-c1cccc2ccccc12)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.1581924992049415),30211,TRUE
CNC(=O)/C=C/C(C)(N)NS(=O)(=O)C1(Oc2nc3ccccc3c3ccccc23)CC1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0.24, 0.10911136387143831),30218,TRUE
CC(N)(/C=C/C(=O)O[Na])On1nnc2ccc(-c3cccc(Oc4nc5ccccc5c5ccccc45)n3)cc21,0.24, 0.13663364946695222),30225,TRUE
CC(N)(/C=C/C(=O)NC1(c2nc(S)[nH]c(=O)c2C#N)CCCC1)Oc1nc2ccccc2c2c(-c3cccc4[nH]ccc34)cccc12,0.24, 0.04711032016048502),30232,TRUE
CC[C@H](C)c1c[nH]c2cccc(-c3cccc4c3nc(OC(=O)C(=O)[C@H](C)N)c3ccccc34)c12,0.24, 0.1855922024589352),30239,TRUE
CCN(C(=O)/C=C/c1ccc(Cl)cc1F)C(/C=C/C=O)(Cc1ccc2c(c1)nc(C)n2C)c1ccc(/C=C/C=O)cc1,0.24, 0.14651249540974132),30260,TRUE
CC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1ccc2[nH]c(-c3nc4cc[nH]cc-4n3)cc2c1,0.24, 0.14216097853362764),30267,TRUE
CCc1cc(C[C@H](N)/C=C/C=O)c2c(C(NC(C)/C=C/C(=O)N3CCCC3OCC=O)C(C)C)cccc2c1,0.24, 0.27534681866005134),30281,TRUE
[H]c1cc(NC(=O)C(=O)[C@H](C)N)ccc1C(=N)NC(=O)[C@@H](N)CC(C)(C)c1cccc(=O)o1,0.24, 0.22606270172037818),30288,TRUE
N[C@@H](Cc1nnc(S)n1-c1ccccc1N1CC[C@H]2CCCC(N[C@H](C=O)CO)[C@@H]2C1)C(=O)C=O,0.24, 0.2061960351642541),30295,TRUE
CC(=O)C(=O)C(NC(=O)C(=O)[C@H](C)N(C(C)=O)C(=O)[C@H](CC(C)C)C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O,0.24, 0.171665909996166),30302,TRUE
CC(N)(/C=C/C=O)Oc1nc2ccc(C(C)(C)C)cc2c2ccc(CS(=O)C3=[SH]c4ncccc4N3)cc12,0.24, 0.07643197445607589),30309,TRUE
[H]N(C(=O)C(=O)[C@H](C)N)C(=O)[C@H](N)CC(C)C,0.24, 0.51849322512739),30316,TRUE
[H]C[C@H](NC(C)(N)/C=C/C(=O)N1CCNC(N2C[C@H]3CCC[C@H]3C2)C1)C(=O)C=O,0.24, 0.2313580037497763),30323,TRUE
C[C@H]1O[C@H](CNC(/C=C/C=O)CC2(Cn3ccc4ncnc-4c3)C(=O)OC(c3cccc(C#N)c3)[C@@H]2C)C[C@H]2CCCC[C@@H]21,0.24, 0.19151532062306692),30330,TRUE
CC(/C=C/C=O)(NCCC(=O)O)c1ccc2[nH]c(C(=O)N(C(=O)C(Cl)=C(Cl)Cl)C3CCCC3)cc2c1,0.24, 0.28085579841245195),30337,TRUE
Cc1cccc(C)c1C(C(N)=O)[C@@H](C=O)NC(=O)/C=C/C(C)(N)Oc1nc2ccccc2c2ccccc12,0.24, 0.1362431738123985),30344,TRUE
CCC12CC(Sc3ccccc3)CCC1C(CC[C@H](N)C(=O)O)CN(C(=O)C(=O)[C@H](C)N)C2,0.24, 0.4687141870313406),30351,TRUE
C[C@H](O)[C@@H](C=O)Nc1c(O)cc([N+](=O)[O-])c(N[C@H](C=O)[C@H](C)O)c1C[C@H](N)C(=O)C=O,0.24, 0.05233830539709927),30358,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2c(-c3cccc4[nH]ccc34)cccc12)NC[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](C)O1,0.24, 0.11735896294885184),30365,TRUE
CC(C)NC(/C=C/C=O)C(Oc1nc2ccccc2c2ccc(Nc3ccc(-c4ccccc4)cc3)cc12)[C@@H]1NC1C(C)(C)C,0.24, 0.06173801229321321),30372,TRUE
Cn1ccc2nc(C3CC3(C)S(=O)(=O)NC3(Nc4cc(CC(N)/C=C/C=O)ccc4Cl)CCCC3)nc-2c1,0.24, 0.19672393389769358),30386,TRUE
C[C@H](O)[C@@H](C=O)NC(=O)[C@H](C)N(C(=O)C(=O)[C@@H](N)Cc1cc(O)c2c(=O)ccoc2c1)c1cc(O)c(O)c(O)c1,0.24, 0.09514851435002851),30393,TRUE
C[C@H](N)[C@H](O)C(NC(C)(/C=C/C=O)O[C@H](C)[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Sc1ncc(C#N)c(=O)[nH]1,0.24, 0.05104842716085507),30400,TRUE
CCC(N[C@@H](C)C(=O)C(F)(F)F)C1=C(O)OC(C(Oc2nc3ccccc3c3ccccc23)C(N)/C=C/C=O)CC1=O,0.24, 0.17126284665013047),30407,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NC(=O)c1cc2ccccc2[nH]1)NC(C=O)c1cccc(C#N)c1,0.24, 0.0626116500096654),30414,TRUE
NC(/C=C/C(=O)N[C@H](C(=O)C(F)(F)F)C(CC(=O)O)Oc1nc2ccccc2c2ccccc12)Cc1ccc(O)cc1,0.24, 0.15294648275012887),30421,TRUE
Cc1nc(C2[C@@H](N)[C@@H]2N[C@@H](Cc2ccc(O)c(CC3C(=O)OC[C@@H]3C)c2)C(=O)C=O)cs1,0.24, 0.29142977236327416),30428,TRUE
Cc1noc(Nc2ccc3c(OC(c4ccccn4)C(N)/C=C/C=O)nc4ccc(N5CCOCC5)cc4c3c2)c1[N+](=O)[O-],0.24, 0.07457455870554555),30435,TRUE
Cc1noc(NC(=O)/C=C/C(C)(N)OC(C)(C)C(=O)Nc2cccc(NS(=O)(=O)C3CC3)c2O)c1[N+](=O)[O-],0.24, 0.08904252684282152),30442,TRUE
NCCCC[C@@H](C=O)Nc1cc(-c2ccccc2O)nc(C(Oc2nc3ccccc3c3ccccc23)C(N)/C=C/C=O)c1,0.24, 0.05716124882094111),30449,TRUE
Nc1ccc(Nc2ccc3c(c2)c(OC(N)(/C=C/C=O)Cc2ccc4cc[nH]c4c2)nc2ccccc23)cc1,0.24, 0.06300644780962089),30456,TRUE
Cc1cccc(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)c1C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.15314639518838888),30463,TRUE
CCCC1=C(O)OC(CC(N)/C=C/C(=O)OCC(C)C)C(Oc2nc3ccccc3c3ccccc23)C1=O,0.24, 0.21484546727616852),30470,TRUE
C[C@H]1COC(=O)C1NC(C)(/C=C/C(=O)NS(=O)(=O)C1CC1)c1c(O)c(Cl)cc(Cl)c1Cl,0.24, 0.2922266021404281),30484,TRUE
CCCC[C@H](NC(C)(/C=C/C=O)NCCC(=O)O)C(=O)N1CC2CCCCC2CC1NS(=O)(=O)C1CC1,0.24, 0.14042438994022438),30491,TRUE
CC(c1ccc2cc[nH]c2c1)[C@@H](C=O)NC(=O)C(=O)[C@@H](N)Cc1ccc(N)cc1,0.24, 0.2630893667989259),30505,TRUE
CC(C)CC(=O)N1C[C@@H]1C(Nc1ccccc1Cl)C(/C=C/C=O)NC(Oc1nc2ccccc2c2ccccc12)c1cccc(C#N)c1,0.24, 0.044548877391957876),30512,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccc(NC3CCCCC3)cc2c2cccc(NS(=O)(=O)c3ccc(N)cc3)c12,0.24, 0.09799836018204194),30519,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2c(-c3ccccc3)cc(N[C@H]3c4ccccc4C[C@H]3O)cc12,0.24, 0.16591577235507934),30526,TRUE
CC(/C=C/C=O)(Oc1ccc(C[C@H](N)C=O)c2[nH]c(C=O)cc12)N(CC=O)Cc1ccc([N+](=O)[O-])cc1,0.24, 0.10977553805782728),30533,TRUE
CC(N)/C=C/C(=O)N[C@@H](C)C(=O)c1nc(Cn2ccc3nc(Oc4nc5ccccc5c5ccccc45)nc-3c2)cs1,0.24, 0.13954321789089746),30540,TRUE
Cc1nc(C[C@H](N)C(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)sc1-c1cccc(O)c1Cc1ccc(S(N)(=O)=O)nc1,0.24, 0.17565893175407923),30547,TRUE
Cc1c(N(c2ccc(N)cc2)c2c3c(cn2C(C)(N)/C=C/C=O)C(=O)C=CC3=O)ccc2c(O)ccnc12,0.24, 0.19753021154483563),30554,TRUE
NC(/C=C/C=O)C(Nc1nc2cccc(C[C@H](N)C(=O)c3nccs3)c2[nH]1)c1ccc(Nc2cccc(=O)o2)cc1-n1ccnn1,0.24, 0.0701836831301172),30561,TRUE
CC[C@@H](C1=C(O)OCC(c2cncc(Br)c2)C1=O)c1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.16910709824573658),30568,TRUE
C[C@H](N)C(=O)C(=O)N[C@H]1c2cccc(-c3cc(F)c(F)cc3F)c2C[C@H]1O,0.24, 0.55846633450951),30575,TRUE
CC(/C=C/C=O)(Oc1cncc(Br)c1)N(Cc1cccc(C#N)c1)C(=O)c1nc2ccccc2[nH]1,0.24, 0.1993627012332628),30582,TRUE
CCC(=O)N(C(=O)c1cnc(C)cn1)C(/C=C/C=O)(Cc1ccc2c(c1)nc(C)n2C)N1C[C@H]2CCC[C@H]2C1,0.24, 0.3238894614996197),30589,TRUE
Cc1cc(O)cc(C(C)(C)C)c1-c1cnoc1C(C)(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.1505087081823462),30596,TRUE
Cc1nc2cc(-c3cccc4c3nc(OC(=O)C(=O)[C@H](C)N)c3ccccc34)cc(-c3ccccc3O)c2n1C,0.24, 0.17286183092983676),30603,TRUE
CC(C)C(Oc1nc2ccccc2c2ccccc12)[C@@H](C=O)C(=O)[C@@H](NC(=O)/C=C/C(C)(N)OC(C)(C)C)[C@@H](C)O,0.24, 0.09840947464759839),30610,TRUE
CC(C)(C)Nc1cc(-c2cccc(N)c2)cc(C[C@H](N)C(=O)C=O)c1/C=C/C=O,0.24, 0.274802173414662),30617,TRUE
CC(=O)n1ccc2cc(N(c3ccc([SH](=O)=O)nc3)C(C)(/C=C/C=O)N[C@H](C=O)C(C)(C)C)ccc21,0.24, 0.19442569299683524),30624,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2cc(-c3cccs3)cc(Oc3cccc4[nH]c(C=O)cc34)c12,0.24, 0.11075911856632417),30631,TRUE
CCCC(c1cccc2cc[nH]c12)C1CN(C(C)(/C=C/C(=O)N(C)C)NC(=O)/C=C/c2ccc3c(c2)OCO3)CCO1,0.24, 0.3430233492358437),30638,TRUE
[H]NC1CCC(c2cccc3nc(OC([H])[C@H](N)C(=O)C=O)c4ccccc4c23)C1,0.24, 0.388019460630284),30645,TRUE
[H]c1c(Cl)cc([C@@H](C)CC)cc1C(N[C@@H](C)C(=O)C=O)C1CC2CCCCC2CN1,0.24, 0.4694998799394145),30652,TRUE
[H]N(c1ccc(C)cc1)C(c1ccc([N+](=O)[O-])cc1)([C@H](N)C(=O)C=O)N1CCCNC1=O,0.24, 0.25215384330751645),30659,TRUE
N[C@@H](C[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C(=O)C(=O)Nc1ccc(-c2ccccc2)c(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.12843541796418415),30666,TRUE
C[C@H](N)C(=O)N(C(=O)C(=O)[C@@H](N)Cc1cc(=O)c2c(O)cc(O)cc2o1)[C@H](C=O)C(C)(C)C,0.24, 0.3207663717337744),30680,TRUE
N[C@@H](Cc1ccon1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.33022918876401297),30687,TRUE
NC(/C=C/C=O)C[C@H]1C(Nc2ccccc2)N1C(=O)c1nc2ccccc2cc1-c1oc2cccc(O)c2c(=O)c1O,0.24, 0.12376820484435896),30694,TRUE
N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Oc1nc2ccc(C(=O)O)cc2c2ccccc12,0.24, 0.13895909711167373),30701,TRUE
CC(C)(C)[C@@H](C=O)NC(=O)/C=C/C(Cc1cc(=O)c2c(O)cc(O)cc2o1)NCc1ccc([N+](=O)[O-])cc1,0.24, 0.13478771548365814),30708,TRUE
C[C@@H](C=O)Nc1cn(C)cc2nc(C(C)(N)/C=C/C(=O)Oc3nc4ccccc4c4ccc(C=O)cc34)nc1-2,0.24, 0.13472811849275595),30722,TRUE
C[C@@H](O)C([C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](C)O1)[C@H](C=O)Cc1ccccc1-n1c(S)nnc1C(C)(N)/C=C/C=O,0.24, 0.23800074426286585),30729,TRUE
CC(C)(CNc1nc2ccccc2n1C(C)(N)/C=C/C=O)O[C@H]1CO[C@H]2OC(Oc3nc4ccccc4c4ccccc34)C[C@H]21,0.24, 0.12040749457708642),30743,TRUE
[H]C(=O)C(=O)[C@@H](N)C[C@@H]1CCCN1,0.24, 0.4287884119602661),30750,TRUE
[H]c1ccc(-c2cccc(/C=C/C=O)c2[C@@H]2CNCCN2)c2nc(OC(=O)C(=O)[C@H](C)N)c3ccccc3c12,0.24, 0.11422890556920931),30757,TRUE
[H]C([C@H](N)C(=O)C=O)[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0.24, 0.3148898984685236),30764,TRUE
CCC(=O)N(C(=O)/C=C/C(C)(N)c1ccc2ccc(N3C[C@H]4CCC[C@H]4C3)c(C)c2n1)[C@H](C=O)[C@@H](C)O,0.24, 0.4170056344410882),30771,TRUE
CC(=O)c1oc(-c2ncccc2CNC(C)(/C=C/C=O)[C@@H]2CC3CCCCC3CN2)cc1OCC(C)C,0.24, 0.240511195775523),30778,TRUE
CNC(Oc1nc2ccccc2c2ccccc12)(c1cccnc1)N(Cc1ccn(Cn2[nH]c(=O)c3ccccc3c2=O)c1)C(C)/C=C/C=O,0.24, 0.07948732302188005),30785,TRUE
C#CC(c1oc2ccc(C[C@H](N)C(C)=O)c(O)c2c(=O)c1O)[C@@H](C=O)N(C(=O)/C=C/C(C)N)c1sc(SC)cc1C,0.24, 0.11118467522967507),30792,TRUE
[H]C[C@H](NC(=O)[C@@H](N)C(O)(c1ccc(C(=O)CF)o1)c1ccc(F)cc1Cl)C(=O)C=O,0.24, 0.29945871574768623),30806,TRUE
N#Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cccc([N+](=O)[O-])c1-c1cc(C[C@H](N)C(=O)C=O)cc2c1OCO2,0.24, 0.19758653095274317),30813,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3ccc([C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)c4cc[nH]c34)cccc2c2ccccc12,0.24, 0.12438545521225465),30820,TRUE
CC[C@@H](C(=O)O)N(Cc1cccnc1)C(C)/C=C/C(=O)NC(C)(C(=O)C(F)(F)F)N1C[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.37889650402657526),30827,TRUE
C[C@H](NCc1nc(Oc2nc3ccccc3c3ccccc23)sc1Nc1cc(Cl)cc(Cl)c1)C(=O)C=O,0.24, 0.11655366058931144),30841,TRUE
[H][C@H](C=O)c1ccc(-c2ccc3c(c2)nc(C)n3C)c2nc(OC(=O)C(=O)[C@H](C)N)c3ccccc3c12,0.24, 0.1699279126909859),30848,TRUE
CC(=O)[C@@H](N)Cc1ccc2c(c1)c(OC(=O)C(=O)[C@H](C)N)nc1c(C(=O)N(CCC(N)=O)NC(=O)[C@H](C)N)cccc12,0.24, 0.08275622083525504),30855,TRUE
C[C@H](N)C(=O)C(=O)Oc1ccc(O)c(N[C@@H](CC(C)(Cc2ccc(O)c(Cl)c2Cl)O[C@H]2CO[C@H]3OCC[C@@H]23)B(O)O)c1,0.24, 0.066277071810186),30869,TRUE
NC(/C=C/C=O)(Cc1cscn1)N[C@H](C=O)CC(C=O)c1cc(=O)c2c(O)cc(O)c(C(=O)O)c2o1,0.24, 0.12902159890551174),30876,TRUE
CCCC1CN(C(C)(CNC(C)(N)/C=C/C(=O)N(C(C)=O)[C@H](C=O)[C@@H](C)O)c2cccnn2)CCN1CC,0.24, 0.18833583618626473),30883,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccc(CC(N)C(=O)C(F)(F)F)cc2c2cccc(Oc3cncc(Cl)c3)c12,0.24, 0.17469527381644842),30890,TRUE
C[C@@H](C=O)NC1(Oc2nc3ccccc3c3ccccc23)CCNC(=O)N1C[C@H](N)C(=O)C=O,0.24, 0.18528532237876802),30897,TRUE
N[C@@H](Cc1cc2ccccc2s1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.25134974770730817),30904,TRUE
C[C@H](N)C(=O)NN(CC(C(N)=O)[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)c1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1ccccc12,0.24, 0.05778708632523812),30911,TRUE
N[C@@H](Cc1cccc(/C=C/C(=O)Nc2cccc([C@H](N)C=O)c2)c1)C(=O)C=O,0.24, 0.3403541408356218),30918,TRUE
CC1CCN(C(=O)C(=O)[C@H](C)N)C(NCC(=O)Nc2ccccc2Cl)C1,0.24, 0.6463534850666263),30932,TRUE
C[C@H](N)C(=O)NC(=O)C(=O)[C@@H](N)CC1CCCCC1,0.24, 0.5999276689292342),30939,TRUE
[H]c1cccc2nc(OC(=O)C(=O)[C@H](C)N)c3c(Nc4ccc(NC[C@@H]5C[C@H]6CCCC[C@@H]6[C@@H](C)O5)cc4)cccc3c12,0.24, 0.12840536325203614),30946,TRUE
CC(N)/C=C/C(=O)N[C@@H](C)C(=O)c1nc(-c2c(N(C)C)[nH]c3c(CC(N)C(=O)C(N)=O)cccc23)cs1,0.24, 0.13831708574014262),30953,TRUE
CC1C(=O)OC[C@@H]1C[C@H](N)C(=O)C=O,0.24, 0.3666151641530304),30960,TRUE
CC(C)C[C@H](NC(=O)/C=C/C(C)(N)c1c(O)cccc1-c1nnccc1-c1oc2cc(O)cc(O)c2c(=O)c1O)B(O)O,0.24, 0.10332500372837078),30967,TRUE
[H]NC(=N)c1ccc(NC(=O)C(=O)[C@H](C)N)cc1-c1c(C)cccc1C,0.24, 0.3786778500489246),30974,TRUE
Cc1csc(SCc2ccc(C(=O)CF)o2)c1-c1cccc2c1nc(OC(=O)C(=O)[C@H](C)N)c1c(N)cccc12,0.24, 0.05500938433560057),30988,TRUE
CC(c1ccc(/C=C(\N)C=O)o1)[C@@H](C)[C@@H](C=O)Nc1c(Nc2ccc(N)cc2)cccc1SC(C)(N)/C=C/C=O,0.24, 0.05909285174554934),30995,TRUE
C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)C(=O)Oc1nc2ccccc2c2cccc(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)c12,0.24, 0.10626655507379508),31002,TRUE
C[C@H](N)C(=O)c1nc(C(Nc2ccccc2)[C@@H](N)C(C=O)Nc2ccccc2Cl)c(N[C@@H](C)C(=O)C=O)s1,0.24, 0.11288854935412579),31016,TRUE
CCCC1=C(O)OC(c2cccc3c(OC(=O)/C=C/C(C)(N)c4nc5cc[nH]cc-5n4)nc4ccccc4c23)CC1=O,0.24, 0.1314052670683354),31023,TRUE
CC(=O)c1oc(C[C@H](N)C(=O)C=O)c(-c2ccccc2)c1Oc1nc2ccccc2c2c(C3CCCCC3)cccc12,0.24, 0.08690635735380753),31030,TRUE
CC(C)C[C@H](NC(C)(/C=C/C=O)NC(=O)C(Cc1cncc(Br)c1)N[C@H](C=O)[C@@H](C)O)B(O)O,0.24, 0.07713984849897682),31037,TRUE
[H]C(=O)C(=O)[C@H](C)NCc1ccc(Cl)cc1,0.24, 0.6115630289945464),31044,TRUE
C[C@@H](C=O)NC(=O)C(=O)[C@@H](N)Cc1cc(=O)c2c(O)cc(-c3ccc(Cl)cc3)cc2o1,0.24, 0.3750010872482557),31051,TRUE
N[C@@H](Cc1cc(-n2[nH]c(=O)c3cc(Oc4nc5ccccc5c5ccccc45)ccc3c2=O)c2[nH]c(C=O)cc2c1)C(=O)C=O,0.24, 0.13353164485404093),31058,TRUE
CSc1cc(-c2cc(-c3c(C)noc3C)c3nc(OC(C)(N)/C=C/C=O)c4ccccc4c3c2)c2ccccc2c1,0.24, 0.06962177137789875),31065,TRUE
CC1CCN(C(=O)/C=C/C(C)(N)N2CCC(Oc3nc4ccccc4c4ccccc34)N(C(=O)c3ccco3)C2=O)CC1,0.24, 0.247031091278687),31072,TRUE
CCC[C@H](Nc1c(C(c2ccc(-c3cccs3)cc2)(c2ccc(C=O)s2)C(N)/C=C/C=O)cc(O)c(O)c1O)C(=O)C=O,0.24, 0.042100336933450506),31079,TRUE
CC(N)(/C=C/C(=O)N1CC[C@H]2CCCC[C@@H]2C1)Oc1nc2ccccc2c2c(-c3ccccc3O)cccc12,0.24, 0.1799953403469804),31086,TRUE
CC(=O)n1ccc2c(N[C@H](C=O)[C@@H](C)O)c(CC(N)/C=C/C(=O)N[C@H](C=O)C(Oc3cncc(Cl)c3)C(N)=O)ccc21,0.24, 0.1298036859780783),31093,TRUE
C[C@H](N)C(=O)C(=O)Nc1cc(N(C(=O)CC[C@H](N)C(=O)C(F)(F)F)C2CCCC2)c(N)cc1Oc1nc2ccccc2c2ccccc12,0.24, 0.095883637901691),31107,TRUE
CC1(C)[C@H]2CN(C(=O)C(=O)[C@@H](N)Cc3cccc(C#N)c3)C[C@H]21,0.24, 0.8438974504142681),31114,TRUE
N[C@@H](Cc1cc(-c2ccc(Cl)c(Nc3ccccc3Cl)c2)cs1)C(=O)C=O,0.24, 0.4127897937087137),31128,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)C(=O)NC(=O)c1cc2c(O)cccc2[nH]1,0.24, 0.30525891567809177),31135,TRUE
CC(=O)[C@@H](NC(=O)/C=C/C(C)NC[C@H]1O[C@H](C)C[C@H]2CCCC[C@H]12)C(CC=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.1684341536878999),31142,TRUE
CNc1ccc2c(c1)c(OC(=O)/C=C/C(C)(N)OC(C)(C)C(=O)NCc1ccc(Cl)cc1)nc1ccccc12,0.24, 0.11237532354172002),31149,TRUE
[H]NC(=O)C(=O)[C@@H](N)Cc1oc2cc(O)c([H])c(O)c2c(=O)c1O,0.24, 0.43853359937418407),31156,TRUE
Cc1csc(C(N[C@H](C=O)[C@@H](C)O)[C@@H](Oc2cccc3c2c(OC(=O)/C=C/C(C)N)nc2ccccc23)[C@H](N)C=O)n1,0.24, 0.07764498754784176),31163,TRUE
CC(/C=C/C=O)(Nc1coc2cc(O)cc(O)c2c1=O)N1C[C@H]2C(C[C@@H](N)CC=O)CC(c3cc(O)c(O)c(O)c3)[C@H]2C1,0.24, 0.10289395138194966),31170,TRUE
CCC(NC(C)C(=O)C(N)=O)[C@H](N)C(=O)C(=O)N[C@H](C=O)c1ccccc1/C=C/C=O,0.24, 0.17403605817356513),31177,TRUE
CC(=O)N(C=O)C(=O)C[C@H](N)C(=O)NC(C)/C=C/C(=O)N[C@H](C=O)[C@@H](O)Cc1ccc(-c2nc3ccn(C)cc-3n2)cc1,0.24, 0.14777374891911862),31184,TRUE
C[C@@H](C=O)Nc1cc(C#N)cc(C(Oc2nc3ccccc3c3cccc(N[C@H](C=O)[C@@H](C)O)c23)C(N)/C=C/C=O)c1,0.24, 0.10624462065371443),31191,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2CN1c1c(O)c(-c2c(O)c(Cl)cc(Cl)c2Cl)c2oc(C[C@H](N)C(=O)C=O)c(O)c(=O)c2c1O,0.24, 0.13547574056834374),31198,TRUE
CC(N)(/C=C/C(=O)NC1([C@H]2NC[C@H]3[C@@H]2C3(C)C)CCCC1)c1ccc(S(N)(=O)=O)nc1Oc1nc2ccccc2c2ccccc12,0.24, 0.16014582014382645),31205,TRUE
Cc1cccc2c(CC(/C=C/C=O)N[C@H](C=O)C(CCCN)Oc3nc4ccccc4c4ccccc34)ccnc12,0.24, 0.11792580991629856),31212,TRUE
CCCCN(c1ccc(Br)cc1)[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)NC(=O)/C=C/C(N)Cc1ccccc1,0.24, 0.2944613313581342),31219,TRUE
CC(N)/C=C/C(=O)N(C(=O)CC(C)C)[C@@H](C)C(=O)c1nc(Oc2nc3ccccc3c3ccccc23)cs1,0.24, 0.1722343337902045),31240,TRUE
N[C@@H](Cc1cccc2[nH]c(N[C@H](C(=O)[C@H](C=O)CO)[C@H](O)Cc3oc4cc(O)cc(O)c4c(=O)c3O)cc12)C(=O)C=O,0.24, 0.057837889830210036),31254,TRUE
CC(C)NC(C)(/C=C/C(=O)OCc1ccc2c(c1)OCO2)N[C@@H](C)/C=C/C(=O)Oc1cncc(Br)c1,0.24, 0.23939270411849298),31268,TRUE
CC(C)C[C@@H](C=O)C(=O)[C@@H](Nc1c2c(cn1Cc1nc(C(C)(N)/C=C/C=O)c(-c3c(F)cc(F)cc3F)[nH]1)C(=O)C=CC2=O)[C@@H](C)O,0.24, 0.11450100136929998),31275,TRUE
C[C@H](NCC(c1ccn(C)n1)[C@H](N)C=O)C(=O)C(=O)Nc1ccc(NC(=O)C(Cl)=C(Cl)Cl)cc1,0.24, 0.19768670139189778),31282,TRUE
N[C@@H](Cc1nnc2n1CCNC2)C(=O)C(=O)Oc1nc2ccc(Sc3ncccn3)cc2c2ccccc12,0.24, 0.13876191616386901),31289,TRUE
CNc1ccc2c(c1)nc(OC(=O)/C=C/C(C)(N)OC(C(N)=O)[C@H]1CN1)c1c(SC)ccc(-c3ccno3)c12,0.24, 0.05718474212336691),31296,TRUE
[H]C(=O)C(=O)[C@@H](N)C(c1nc2ccccc2c2ccccc12)C1CC2CCCCC2CN1[H],0.24, 0.37673018497041744),31303,TRUE
CC(C)(C)Nc1cccc2nnn(OC(=O)/C=C/C(C)(N)N3C[C@H]4[C@@H](C3OC(C)(C)C3CC5CCCCC5CN3)C4(C)C)c12,0.24, 0.28966370588739965),31310,TRUE
CCc1ccc2c(c1)c(OC(=O)/C=C/C(C)(NC(C)C)c1ccc(Cl)cc1)nc1ccc(C[C@H](N)/C=C/C=O)cc12,0.24, 0.09138400808166075),31324,TRUE
CC(=O)N1C(CCC(C)c2cc(F)c(F)cc2F)[C@@H]1C[C@H](N)C(=O)C(=O)N1CCC(C)CC1,0.24, 0.36180146212263337),31331,TRUE
Cc1cccc(C)c1C1C(Cc2ccccc2)C1(C)S(=O)(=O)Nc1csc(C[C@H](N)C(=O)C=O)n1,0.24, 0.3173420379837117),31345,TRUE
N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)C(=O)Oc1cccc(Cl)c1Cl,0.24, 0.4048298581807128),31352,TRUE
CC(=O)NC(C)(N)/C=C/C(=O)N(C(=O)c1cnccn1)[C@H](C(=O)C(NS(=O)(=O)C1CC1)[C@@H](C)C=O)C(C)C,0.24, 0.1662609154623258),31359,TRUE
[H]NC(=O)C(=O)[C@@H](N)CC1CC(Oc2nc3ccccc3c3ccc([H])cc23)OC1=O,0.24, 0.3673327264159025),31366,TRUE
C[C@H](O)[C@@H](C=O)Nc1c([N+](=O)[O-])cc(C(C)(N)/C=C/C=O)c(C(F)(F)C(=O)c2ccco2)c1B(O)O,0.24, 0.06491434244923798),31373,TRUE
C[C@H](N)CCN[C@@H](CC(C(=O)N[C@@H](C)C(=O)C(=O)Oc1cncc(Br)c1)c1cc(=O)c2c(O)cc(O)cc2o1)C(=O)CF,0.24, 0.123193901847321),31380,TRUE
CC(=O)c1ccc(C2CCC(C[C@H](N)C(=O)C(N)=O)CC2)o1,0.24, 0.6103056239722947),31387,TRUE
Cc1noc(C)c1C(C)(N)/C=C/C(=O)N[C@@H](CO)C(=O)OC(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.1313648702145077),31394,TRUE
C[C@H](O)[C@@H](C=O)N(C(=O)/C=C/C(N)C[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](C)O1)C(=O)c1nc2cccc(CC(=O)OCC(N)=O)c2[nH]1,0.24, 0.15362125173134614),31401,TRUE
CC(NC(=O)/C=C/C(C)(N)c1oc2ccc(Oc3nc4ccccc4c4ccccc34)c(O)c2c(=O)c1O)C(=O)C(F)(F)F,0.24, 0.14611146579908726),31408,TRUE
CC(=O)C(=O)C(N)(NS(=O)(=O)c1ccc(N)cc1)[C@H](O)Cc1ccccc1,0.24, 0.2797995102231118),31415,TRUE
Cn1cc(CNC(C)(/C=C/C=O)Oc2ccc(O)cc2)c(Oc2nc3ccccc3c3c(-c4ccc(O)c(Cl)c4Cl)cccc23)c1,0.24, 0.05885233072776861),31429,TRUE
Cn1cc(CNC(/C=C/C=O)Cc2ccc(Cc3cccc4ccccc34)nn2)c(-c2ccccc2-c2ccc3[nH]c(C=O)cc3c2)c1,0.24, 0.107061783710235),31436,TRUE
N[C@@H](Cc1ccc2[nH]c(C=O)c(Oc3nc4ccccc4c4ccccc34)c2c1)C(=O)C=O,0.24, 0.2249081215323805),31443,TRUE
CNc1c(C[C@H](NC(=O)C(N)N[C@H](C=O)C(C)C)C(=O)C=O)oc(C(C)=O)c1N[C@@H](C)C=O,0.24, 0.09633383892409315),31450,TRUE
Nc1ccc(CC(N)(/C=C/C(=O)N[C@@H](CCC=O)C(=O)C(F)(F)F)Oc2nc3ccccc3c3ccccc23)cc1,0.24, 0.08074445214649871),31457,TRUE
NC(/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cc(-c2cc(-c3ccccc3)cs2)cc2ccccc12,0.24, 0.11598142040545216),31464,TRUE
[H]c1cccc2c1nc(OC(=O)C(=O)[C@@H](N)Cc1cc(F)c(F)cc1F)c1ccccc12,0.24, 0.22780695385745842),31471,TRUE
CC(=O)[C@H](CCC=O)NC1OC(=O)C(C[C@H](N)C(=O)C=O)[C@H]1C,0.24, 0.30071688730614765),31478,TRUE
N[C@@H](Cc1nc2ccccc2c2ccccc12)C(=O)C(=O)Oc1nc2c(N3CCC4CCCCC4C3)cccc2c2ccccc12,0.24, 0.12181129571004581),31485,TRUE
[H]N(C)C(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N[C@@H](CCC)C(=O)C=O,0.24, 0.12641168271857245),31506,TRUE
CC(O)C(C)NC(C)(/C=C/C(=O)N[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C=O)NC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1,0.24, 0.09440606700001322),31513,TRUE
[H]C(c1cccc(Cl)c1)[C@H](N)C(=O)C=O,0.24, 0.5966849636893404),31520,TRUE
CC(=O)C(=O)C(N)[C@H](O)Cc1ccc(O)c(Cl)c1Cl,0.24, 0.7069517921574878),31527,TRUE
CC(Oc1nc2cc(Nc3ccc([N+](=O)[O-])cc3Cl)ccc2c2ccccc12)C(C)(C)NC(=O)C(=O)[C@H](C)N,0.24, 0.11050305210451299),31534,TRUE
Nc1ccc(C[C@H](N)C(=O)C=O)cc1,0.24, 0.3962067783984827),31541,TRUE
C[C@H]1O[C@H](CNC(/C=C/C=O)Cc2ccc(Cc3ccc(Cl)cc3Cl)nn2)C(C2CC3CCCCC3CN2)[C@H]2CCCC[C@@H]21,0.24, 0.2153570598119252),31548,TRUE
CC(N)(/C=C/C(=O)Oc1nc2c(-c3ccccc3Cl)cccc2c2ccccc12)c1c(O)c(Cl)cc(Cl)c1Cl,0.24, 0.09153415114470331),31562,TRUE
CC(=O)[C@H](CCC=O)N(C(=O)C(=O)[C@H](C)N)C(=O)[C@H](CC(C)C)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.1913841774587018),31569,TRUE
[H]Oc1ccc2c(-c3c(C[C@H](N)C(=O)C(=O)OCC(N)=O)cccc3[N+](=O)[O-])ccnc2c1C,0.24, 0.19561938967365558),31576,TRUE
C[C@H]1O[C@H](C(Oc2ccc(N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)cc2-n2ccnn2)C(N)/C=C/C=O)C[C@H]2CCCC[C@@H]21,0.24, 0.2292953847964257),31583,TRUE
CSc1cc(C)c(C(C)(N)/C=C/C(=O)Oc2nc3c(NC(C)=O)cccc3c3cccc(OCC=O)c23)s1,0.24, 0.09422510032524176),31590,TRUE
[H]c1cccc(O)c1C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)C=O,0.24, 0.33067275093423365),31604,TRUE
CC(N)/C=C/C(=O)Oc1ocnc1C=Nc1ccc(N(c2ccc(N)cc2)[C@@H](CC(C)C)B(O)O)cc1,0.24, 0.10067616159206418),31611,TRUE
[H]c1cccc2c1nc(OC(=O)C(=O)[C@@H](N)C[C@H]1COC(=O)C1(C)C(C)C)c1ccccc12,0.24, 0.359665852420452),31618,TRUE
CC(C)(C)OC(c1oc2cccc(O)c2c(=O)c1NC1CCCCC1c1cccs1)C(N)/C=C/C=O,0.24, 0.2654139334970503),31625,TRUE
CNC1N[C@H]1C(Oc1nc2ccc(Oc3coc4cc(O)cc(O)c4c3=O)cc2c2ccccc12)C(N)/C=C/C=O,0.24, 0.07822611812953362),31639,TRUE
CC(N)(/C=C/C=O)c1nnc(S)n1-c1ccccc1-c1cc(-c2ncsc2-c2ccc(N)cc2)ccc1/C=C/C=O,0.24, 0.08804814574673635),31646,TRUE
Cc1cc(O)ccc1-c1cccc2c1c(OC1[C@H]3CCCC[C@H]3CCN1C(=O)C(=O)[C@H](C)N)nc1ccccc12,0.24, 0.24885334453733746),31653,TRUE
C[C@H](NC(Oc1cc(O)c2c(=O)c(O)coc2c1)(c1nc(N2CCOCC2)cs1)[C@H](N)C(=O)C=O)[C@@H](C)O,0.24, 0.13076312667815684),31660,TRUE
CSC(C)(/C=C/C=O)N(C(=O)c1sc(Cl)cc1-c1ccc(C=O)s1)C(=O)C(C)NCc1csc(N)n1,0.24, 0.18465878475619774),31667,TRUE
CC(C)C[C@H](NC1CCOC1=O)C(=O)N[C@@H](C)C(=O)C=O,0.24, 0.3583767610898566),31681,TRUE
CC(C)[C@H](NC[C@@H](O)[C@H](C)N)C(=O)N(c1ccccc1)[C@@H](C)C(=O)C=O,0.24, 0.4120852247737796),31688,TRUE
CC(C)[C@@H](C=O)NC(=O)/C=C/C(C)(Oc1nc2ccccc2c2ccccc12)N(C(=O)/C=C/c1ccccc1)C(=O)[C@H](N)CO,0.24, 0.09517360440686544),31695,TRUE
Cc1noc(C)c1-c1cc2c(O)ccnc2c(C)c1C[C@H](NCc1oc(=O)oc1C)C(=O)C=O,0.24, 0.29374308754017425),31702,TRUE
C#CC[C@H](N)C(=O)NC(C)/C=C/C(=O)NC(C)(Oc1nc2ccccc2c2ccccc12)C(=O)C(F)(F)F,0.24, 0.17042395788797254),31709,TRUE
C[C@H](NC(C)(N)/C=C/C=O)C(=O)OCC(=O)N1C(=O)N(C(=O)c2cc3c(O)cccc3[nH]2)CCC1c1ccc(Br)cc1,0.24, 0.11856839042145564),31716,TRUE
CC(=O)[C@H](C)NC(=O)/C=C/[C@@H](N)CC1CN(C(=O)/C=C/C(N)Cc2ccc(Cl)cc2)CC1c1ccnc(S)n1,0.24, 0.1844164227022787),31723,TRUE
Cc1cccc(C(C=O)NC(C)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)C2CC3CCCCC3CN2)c1,0.24, 0.10901215595441752),31730,TRUE
CC1(N(c2ccon2)C2CC2)C(=O)OC[C@@H]1CC(N)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.21072202385131122),31737,TRUE
CC(C)(c1cccc(/C=C/C=O)c1)N(CC=O)C(/C=C/C=O)C(Sc1ccccc1)c1cccc([N+](=O)[O-])c1,0.24, 0.07863424705762083),31744,TRUE
CC1C(=O)OC(Oc2nc3ccccc3c3ccccc23)[C@@H]1N[C@H](C=O)[C@H](C)NC(/C=C/C=O)Cc1cccc(Cl)c1,0.24, 0.10558636744545065),31751,TRUE
C=C[C@@H]1C([C@H](C=O)C(C)C)[C@]1(N)C(N)(/C=C/C=O)C(c1nc(C)cs1)c1oc2cccc(O)c2c(=O)c1O,0.24, 0.1722783025384232),31758,TRUE
[H]CCC(C[C@@H](C=O)NC(=O)C(=O)[C@H](C)N)Oc1nc2ccccc2c2ccccc12,0.24, 0.3202950346966364),31765,TRUE
CC[C@H](N)C(=O)N(C1CC[C@@H]2CN(C(=O)CC(O)[C@H](NC(=O)C(=O)[C@H](C)N)C(C)=O)[C@H](C)C[C@H]2C1)[C@H](C=O)[C@H](C)O,0.24, 0.12729431803356342),31772,TRUE
N[C@@H](Cc1ccc2[nH]c(C=O)c(-c3cccnn3)c2c1)C(=O)C=O,0.24, 0.5174723108587286),31779,TRUE
CC(C)[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)C[C@@H](C)C=O,0.24, 0.4705308294268766),31786,TRUE
CC(=O)[C@H](C)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3csc(C)n3)cc12)NC(=O)c1ccco1,0.24, 0.1021334577820327),31793,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(C(F)(F)F)cccc2c2ccc(N3C[C@H]4CCCC[C@@H]4C[C@H]3C)cc12,0.24, 0.2763994778915927),31800,TRUE
CC(C)N(C(=O)c1ccc2ccccc2n1)[C@@H](C)[C@H](O)CNC(C)(/C=C/C=O)c1ccc(C(=O)CF)o1,0.24, 0.2166971435339342),31807,TRUE
[H]C(c1cccc(Cl)c1Cl)[C@H](N)C(=O)C=O,0.24, 0.6483546181148963),31814,TRUE
CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1cc2nc[nH]c2cc1Oc1nc2ccccc2c2ccccc12)C(=O)C=O,0.24, 0.14137713802402652),31821,TRUE
[H]C[C@H](N)C(=O)C(=O)N[C@@H](CC(C(=O)O)c1cccc([N+](=O)[O-])c1)C(=O)C(F)(F)F,0.24, 0.29807064187527815),31828,TRUE
CC(N)(/C=C/C=O)c1ccc(F)cc1Oc1nc2ccccc2c2ccc(-c3ccc(/C=C/C=O)cc3)cc12,0.24, 0.134800147164488),31835,TRUE
Cc1cc(O)ccc1C(CN)CC(c1cccc2[nH]c(C=O)cc12)[C@H](NC(C)(N)/C=C/C=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.03295740458383196),31842,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)NC(C)(/C=C/C=O)NC(=O)/C=C/c1cc(-c2ccccc2)c(Cl)cc1F,0.24, 0.1823492178825965),31849,TRUE
CC[C@H](N)C(=O)N(C(=O)[C@H](N)CC(C)C)[C@@H](C)C(=O)C=O,0.24, 0.4644324603988816),31856,TRUE
[H]C(=O)c1cc2cc(C[C@H](N)C(=O)C=O)ccc2[nH]1,0.24, 0.5951945348508177),31863,TRUE
CC(C)[C@H](Nc1ccc(Nc2ccc(N)cc2)c2c(OC(=O)C(=O)[C@H](C)N)nc3ccccc3c12)[C@@H](O)C[C@@H](C)C=O,0.24, 0.05340053149887189),31870,TRUE
NC(/C=C/C=O)(c1nnc(S)n1-c1ccccc1)C(c1ccccc1)c1cc(=O)c2c(O)cc(O)cc2o1,0.24, 0.14234313264277212),31877,TRUE
[H]N[C@@H](Cc1cc2ccc(-c3cccc4ccccc34)cc2s1)C(=O)C=O,0.24, 0.42536727557018766),31884,TRUE
CC(N)(/C=C/C=O)c1sc(C2CCC2)cc1NC1(c2oc3cccc(O)c3c(=O)c2O)CCCCC1,0.24, 0.23699134741975533),31891,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3cc(CO)c4[nH]cc(-c5ccccc5)c4c3)cccc2c2ccccc12,0.24, 0.15277064296562415),31898,TRUE
CC(N)/C=C/C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1-c1ccc(CC(C=O)N[C@H](C(=O)C[C@@H](C)C=O)C(C)C)c(/C=C/C=O)c1,0.24, 0.09892157782662342),31905,TRUE
CC(N)(/C=C/C(=O)N1C[C@@H]2[C@@H](CCC2(Oc2nc3ccccc3c3ccccc23)c2nc3cc[nH]cc-3n2)C1)c1cccc(=O)o1,0.24, 0.19476507461935158),31912,TRUE
CC(N[C@H](C=O)CCCC(N)=O)([C@@H](C=O)NC(=O)/C=C/C(N)C[C@@H]1C[C@H]2CCCC[C@@H]2CN1)N1CCOCC1,0.24, 0.13935863086532593),31919,TRUE
CCCCN(C(N[C@@H](CCC=O)C(C)=O)c1cccnc1)C(C)(/C=C/C=O)c1cc2ccccc2s1,0.24, 0.16468753045157083),31926,TRUE
CC(=O)NC(C)(/C=C/C(=O)NC(c1ccoc(=O)c1)C(C)OC(C)C)NCC(C)(C)c1scnc1-c1ccno1,0.24, 0.2062175000505404),31933,TRUE
C=C[C@@H]1C[C@]1(N)C(C)[C@H](NC(=O)/C=C/C(C)(N)N[C@@H](CC(C)C)B(O)O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.043891830844281436),31940,TRUE
CCOC1CC1(c1ccccc1)C(c1ccccc1/C=C/C=O)[C@H](N)C(=O)C=O,0.24, 0.3823232511227854),31947,TRUE
CC(OC(C=O)Oc1nc2ccccc2c2ccccc12)[C@H](NC(=O)/C=C/C(C)(N)OP(=O)(O)O)C(=O)O,0.24, 0.07203202346227848),31961,TRUE
C[C@H](NC(=O)C(=O)[C@@H](N)CC(C)(Oc1nc2ccccc2c2ccccc12)c1ccc(O)c(O)c1)C(=O)C=O,0.24, 0.10438955082777088),31968,TRUE
[H]N[C@H](C(=O)C=O)C(N)c1nc2c(-c3c(O)c(Cl)cc(Cl)c3Cl)cccc2c2ccccc12,0.24, 0.1603703356378362),31975,TRUE
C[C@H](N)C(=O)C(=O)N1CCNC(Oc2cccnc2)(C(=O)N(CCC(N)=O)N(C(=O)/C=C/c2ccc3c(c2)OCO3)C(=O)[C@H](C)N)C1,0.24, 0.1199323822580859),31989,TRUE
Nc1ccccc1C[C@H](N)C(=O)C=O,0.24, 0.3962067783984827),31996,TRUE
N/C(C=O)=C\c1cc(Oc2nc3ccccc3c3ccccc23)c(C(c2nccs2)[C@H](N)C(=O)C=O)o1,0.24, 0.1293565338797368),32003,TRUE
C[C@H]1O[C@@H](OC(Oc2nc3ccccc3c3ccccc23)(c2ccc(N)cc2)C(N)/C=C/C=O)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.07263831908392995),32010,TRUE
CCC(NC(=O)/C=C/C(N)C(c1cc2ccccc2s1)N1CCC(C)CC1)Oc1nc2ccccc2c2ccccc12,0.24, 0.1099316544214765),32024,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-n3ccnn3)cccc2c2ccc(C(OC[C@@H](N)C=O)c3cccnn3)cc12,0.24, 0.11152335061838413),32031,TRUE
NC(/C=C/C(=O)Oc1nc2c(-c3ccc4[nH]cnc4c3)cccc2c2ccccc12)Cc1cncc(Br)c1,0.24, 0.14346938518320485),32038,TRUE
C[C@@H](C=O)C(c1ccccc1F)[C@H](O)CNC(C)(/C=C/C=O)Oc1ccc(O)cc1Cc1ccccc1,0.24, 0.1793509385744206),32045,TRUE
[H]OC(c1cc(O)c(O)c(O)c1)[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.13682156486626168),32052,TRUE
N#Cc1cccc(CNC(/C=C/C=O)C(Oc2nc3ccccc3c3ccccc23)c2cccc(Cl)c2)c1,0.24, 0.13002633051833548),32059,TRUE
NC(/C=C/C=O)(c1ccc(C=O)o1)C(N[C@@H](CCC=O)C(=O)C(F)(F)F)c1oc2cccc(O)c2c(=O)c1O,0.24, 0.19120310103966143),32066,TRUE
[H]c1c(C[C@H](N)C(=O)C=O)c(C)c2nccc(O)c2c1[H],0.24, 0.6270838285614353),32073,TRUE
Cc1cccc(C[C@H](N)C(=O)C(=O)N[C@H](C(=O)C[C@@H](C)C=O)C(C)(C)c2ccc(Br)cc2)c1,0.24, 0.3523665378183073),32080,TRUE
CC(=O)n1ccc2cc(CC(N)/C=C/C(=O)N[C@@H](C)C(=O)c3nc(Oc4cccc5[nH]c(C=O)c(NC6CC6)c45)cs3)ccc21,0.24, 0.08334775863747058),32087,TRUE
CC[C@H](C)c1cc(C(NC(C)(C)C)C(/C=C/C=O)NC(N[C@@H](C)C(=O)NN(C=O)CCC(N)=O)C(N)=O)cc2nc[nH]c12,0.24, 0.05441139376935452),32101,TRUE
CC(N)/C=C/C(=O)Oc1nc2cccc([C@H]3CO3)c2c2cccc(CN3C(=O)C(=O)c4cc(C#N)ccc43)c12,0.24, 0.13343293303311662),32108,TRUE
CC(C)[C@@H]([C@@H](O)C[C@@H](C)C=O)N(C(=O)/C=C/C(N)Cc1cc(=O)c2c(O)cc(O)cc2o1)C(=O)c1ccc(Cl)o1,0.24, 0.19572119982148742),32115,TRUE
CC[C@H](N)C(=O)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1ccc2c(O)ccnc2c1C,0.24, 0.14911161193439787),32122,TRUE
Cc1nc2c(Sc3ncccn3)c(C[C@H](NC(C=O)N[C@H](C=O)CO)C(=O)C=O)ccc2n1C,0.24, 0.1273683980474501),32129,TRUE
Nc1ccc(C(Oc2nc3ccccc3c3ccccc23)[C@H](N)C(=O)C=O)cc1-c1ccccc1Cl,0.24, 0.13335966535397945),32136,TRUE
[H]N[C@@H](Cc1coc2c(-c3ccc4[nH]c(C=O)cc4c3)c(O)cc(O)c2c1=O)C(=O)C=O,0.24, 0.2708506813204748),32143,TRUE
CC[C@@H](C=O)NC(=O)/C=C/C(C[C@@H]1C[C@@H]2CCCC[C@@H]2CN1[C@H](C=O)CCCCN)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1,0.24, 0.07907461355360573),32150,TRUE
[H]Nc1cccc2nnn(OC(=O)C(=O)[C@@H](N)Cc3cc(Oc4nc5ccccc5c5ccccc45)c(C)nn3)c12,0.24, 0.13331466401637665),32157,TRUE
CC(=O)NC1C(Oc2nc3ccccc3c3ccccc23)OCCN1C(=O)C(=O)[C@H](C)N,0.24, 0.4567268931929516),32164,TRUE
CC(N)(/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)NS(=O)(=O)c1ccc(N)cc1-c1cccc(O)c1,0.24, 0.09595530754305463),32171,TRUE
NC(=O)C[C@H](N)C(=O)N[C@H](C(=O)C=O)C(O)(c1ccc(F)cc1)c1cc(O)c(O)c(O)c1,0.24, 0.13642585198272977),32178,TRUE
Cc1c(-c2cc3c(OC(=O)/C=C/C(C)N)nc4ccccc4c3cc2N[C@H](C=O)C(C)C)ccc(Oc2cccc3[nH]c(C=O)cc23)c1O,0.24, 0.047711864298246066),32185,TRUE
O=CN[C@@H](C[C@@H]1C[C@H]2C(n3ccnn3)CCC[C@@H]2CN1)C(=O)C=O,0.24, 0.5317716553426607),32192,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccc(CC(CC(=O)O)N(C)C)c(-c3cc(F)c(F)cc3F)c2c2ccccc12,0.24, 0.13661612928266248),32213,TRUE
CC(/C=C/C=O)NC(=O)C[C@@H](C)NC(C)c1cccc(Nc2ccc([N+](=O)[O-])cc2Cl)c1[N+](=O)[O-],0.24, 0.16413481466057772),32220,TRUE
C[C@H](N)C(=O)N1CCN(C(=O)C(=O)[C@@H](N)Cc2sccc2O)C(Nc2ccc([N+](=O)[O-])cc2Cl)C1,0.24, 0.22104584186484733),32234,TRUE
[H]C(=O)C(=O)[C@@H](N)Cn1nnc(-n2[nH]c(=O)c3ccccc3c2=O)c1O[H],0.24, 0.3552923765131147),32241,TRUE
Cc1cc(C[C@H](N)C(=O)C=O)cc(N2CCCNC2=O)c1O[C@@H](C)[C@H](N)C=O,0.24, 0.39247613794064967),32248,TRUE
CC(N)/C=C/C(=O)N[C@H](C(=O)C(F)(F)F)C(CC(N)=O)NCC(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.16033280075354556),32255,TRUE
[H]C[C@H](NC(=O)[C@H](C)CC(=O)[C@@H](N)C(C)C)C(=O)C=O,0.24, 0.4705308294268766),32262,TRUE
CSC(C)(C)Oc1cccc2c1c(Oc1c[nH]c3c(C(C)(N)/C=C/C=O)cccc13)nc1ccccc12,0.24, 0.10022033022513638),32269,TRUE
N[C@@H](Cc1cccc(-c2oc3c([C@@H](C=O)NCC=O)c(O)cc(O)c3c(=O)c2NCC=O)c1[N+](=O)[O-])C(=O)C=O,0.24, 0.07646151133269027),32283,TRUE
CCc1cccc(-c2c(C[C@H](N[C@@H](C)C=O)C(=O)C=O)ccc3c2nc(C)n3C)c1,0.24, 0.4372514648084367),32290,TRUE
CCC1(c2ccc(N)c(C(C)(/C=C/C=O)NC(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O)c2)CCCCC1N1CC[C@H]2CCCC[C@@H]2C1,0.24, 0.10431881557030565),32297,TRUE
N[C@H](C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)C(NCC=O)C1CCCCC1,0.24, 0.4600175228972476),32304,TRUE
CC(=O)[C@H](C)Nc1cc2c(cc1-c1ccccc1Cl)c(OC(C)(N)/C=C/C=O)nc1ccc(Nc3ccc(C(=N)N)cc3)cc12,0.24, 0.026551266442388977),32311,TRUE
CCC(C)(C)NC(C=O)(NC(C)(/C=C/C=O)N1CCCC1)c1ccc2ccc(-c3c[nH]cn3)c(C)c2n1,0.24, 0.20491694546770495),32318,TRUE
C[C@@H](CCC=O)Nc1ncc(OC(C)(N)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)cc1Cl,0.24, 0.09376075456542725),32325,TRUE
CCc1cc(-c2cc(F)c(F)cc2F)c2c(c1)c(OC(c1c(C)noc1C)[C@H](N)C(=O)C=O)nc1ccccc12,0.24, 0.112280337566227),32332,TRUE
C[C@@H](O)[C@@H](C=O)NC(=O)/C=C/C(C)(N)Oc1nc2c(-c3ccc4[nH]c(C=O)cc4c3)cccc2c2ccccc12,0.24, 0.09624687414509947),32339,TRUE
[H]Cc1ccc(C2CC(C(C)(N)C(=O)N[C@@H](C)C(=O)C=O)C(=O)O2)cc1-c1c(F)cc(F)cc1F,0.24, 0.3607590050473234),32346,TRUE
[H]OC(=O)C(=O)[C@@H](N)C([H])N(C(=O)C[C@H](C)O)c1onc(C)c1[N+](=O)[O-],0.24, 0.29846592023531077),32353,TRUE
C[C@H](NC(=O)[C@@H](N)CO)C(=O)C(=O)Oc1nc2c(Sc3nncn3-c3ccccc3)cccc2c2ccccc12,0.24, 0.1395983227713457),32360,TRUE
N[C@@H](Cc1c[nH]c2cc(NS(=O)(=O)c3ccccn3)cc(-c3cccc(Cl)c3)c12)C(=O)C=O,0.24, 0.26022410339183305),32367,TRUE
CC(=O)c1cc(Nc2cc(N[C@H](C=O)C(c3c(C)noc3C)C(C)C)ccn2)c(C(C)(N)/C=C/C=O)o1,0.24, 0.1803205803090712),32374,TRUE
[H]N(C(=O)C(=O)[C@@H](N)Cc1ccc(-c2ccc3[nH]ccc3c2)cc1)C(=O)[C@@H](N)C(C)(C)C,0.24, 0.4545116676718071),32381,TRUE
C[C@@H](/C=C/C=O)Nc1c(-c2cc3c(-c4[nH]cnc4-c4cccc(O)c4C(C)(N)/C=C/C=O)cccc3[nH]2)ccoc1=O,0.24, 0.1164023026625335),32388,TRUE
CC(C)(C)OC(C)(N)C(O)CNC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12,0.24, 0.14097098111305673),32395,TRUE
[H]OC(=O)C(=O)[C@H](C)NC(=O)[C@H](N)CC(C)C,0.24, 0.5336876294162636),32402,TRUE
C[C@@H](C(=O)C=O)N(C(=O)[C@@H](N)[C@@H](C)O)[C@@H]1CNCCN1C(=O)c1cc(-c2ccc(F)cc2Cl)c(Cl)s1,0.24, 0.3326619738910196),32409,TRUE
O=CC(=O)[C@H](CC1CC2(NS(=O)(=O)c3ccccn3)C(CCCC2Sc2ncccn2)CN1)NCCC(=O)O,0.24, 0.14985534727672023),32416,TRUE
NCCCC[C@@H](C=O)NC12CCCCC1CCN(c1ccc3cc[nH]c3c1C[C@H](N)C(=O)C=O)C2,0.24, 0.20741851307483725),32423,TRUE
N[C@@H](Cc1cc(Nc2cc(Cl)cc(Cl)c2)ccc1-c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1O)C(=O)C=O,0.24, 0.09582754114165985),32430,TRUE
Nc1ccc(C(c2cc(=O)c3c(O)cc(O)c([C@H](N)C(=O)O)c3o2)[C@H](N)C(=O)C=O)cc1,0.24, 0.16381437109899066),32437,TRUE
C[C@H](NC1CCC1N[C@@H](Cc1ccc(Cl)cc1)C(=O)C=O)C(=O)C(F)(F)F,0.24, 0.4875142642156263),32444,TRUE
Cc1noc(C)c1-c1ccc2c(c1)nc(Oc1cc(O)cc(CC(N)/C=C/C=O)c1)c1cc(NCC=O)ccc12,0.24, 0.1216140739986947),32451,TRUE
CC[C@H](NC(=O)COC(=O)/C=C/C(N)(Cc1ccccc1F)Oc1nc2ccccc2c2ccccc12)C(=O)O,0.24, 0.11162667739590046),32458,TRUE
C#CC[C@H](N)C(=O)N(C=O)C(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)Cc1cc2ccccc2s1,0.24, 0.09150559270871175),32465,TRUE
CC(N)/C=C/C(=O)Nc1ccc(C(=N)Nc2ccc3cc[nH]c3c2)c(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.06481972261800474),32472,TRUE
C[C@H]1O[C@H](CC(N)/C=C/C=O)C(O[C@H]2CCOC2)[C@H]2CCC(c3cc(O)c4c(=O)c(O)coc4c3)C[C@@H]21,0.24, 0.3759363801114361),32479,TRUE
Nc1ccc(C2CC[C@@H]3CN(C4CCC[C@@H]5CN[C@H](C[C@H](N)C(=O)C=O)C[C@H]45)CC[C@H]3C2)cc1,0.24, 0.33830193525576946),32486,TRUE
CSC(C)(/C=C/C(=O)NC1CCCCC1)Nc1c(O)c(Cl)c(-c2ccc3c(c2)nc(C)n3C)c(Cl)c1Cl,0.24, 0.11524272499765587),32493,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2cc(-c3ccn(C)n3)c(-c3ccc(O)c(Cl)c3Cl)cc12,0.24, 0.1567147712605053),32507,TRUE
CC(=O)[C@@H](N)CCC(=O)N(C)C(=O)/C=C/C(C)N[C@H](C(=O)O)C(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.23519843786432987),32514,TRUE
C[C@@H](O)[C@@H](C=O)NC(=O)/C=C/C(C)(N)Nc1cc(Cl)c(-c2cc(Oc3nc4ccccc4c4ccccc34)cs2)c(Cl)c1,0.24, 0.05679553277013665),32528,TRUE
C[C@H]1O[C@@H](C(Oc2ccc3ccccc3c2C(C)(N)/C=C/C=O)C(=O)Oc2nc3ccccc3c3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.08693879036890893),32535,TRUE
CC(Nc1cc2cc[nH]c2cc1-c1cccc2c1c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12)C(C)(O)N[C@H](C=O)CO,0.24, 0.044488470854922225),32542,TRUE
N[C@H](C(=O)C=O)C(c1cncc(Br)c1)c1c(Oc2nc3ccccc3c3ccccc23)ccc2cc[nH]c12,0.24, 0.13865039032583815),32549,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@@H](C)C(=O)N(C(=O)/C=C/c1ccccc1)C(C)(/C=C/C=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.09381574469761388),32556,TRUE
Cc1ccc(CC(N)/C=C/C(=O)N[C@H](C=O)CC(C=O)(NC(C=O)CCC(=O)O)C2CCCCC2)nn1,0.24, 0.18167923501305575),32570,TRUE
CC1C(=O)OC[C@@H]1Cc1ccc2c(c1)c(OC(c1ccccc1)C(N)/C=C/C=O)nc1ccc(N3CCCNC3=O)cc12,0.24, 0.12580290439050343),32584,TRUE
C#CC[C@H](N)C(=O)N(CC(c1ccnn1C)[C@H](C)NC(=O)c1cc(-c2cc(O)c(O)c(O)c2)cs1)C(C)/C=C/C=O,0.24, 0.0942709255724706),32591,TRUE
Cc1cccc(C)c1OC(=O)/C=C/C(C)N(C(=O)c1ccc2ccccc2n1)C(=O)C(N)CCC(=O)O,0.24, 0.2566078196678455),32598,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](CCc1cc2c(OCO2)c(N)c1)C(=O)O,0.24, 0.38029679103093283),32605,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](CC(Cc1ccc(N)cc1)(c1oc2cc(O)cc(O)c2c(=O)c1O)n1cc2c(c1)C(=O)C=CC2=O)C(=O)C=O,0.24, 0.07412038693172954),32612,TRUE
CC(N)/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3ccc(-c4ccc(Br)cc4)c(=O)o3)cc12,0.24, 0.16070411854389025),32619,TRUE
CC(=O)C(=O)C(Nc1ccc([N+](=O)[O-])cc1Cl)(Nc1cc2[nH]ccc2cc1C(C)(N)/C=C/C=O)[C@@H](C)O,0.24, 0.062268858521528844),32626,TRUE
CC(N)/C=C/C(=O)N[C@@H](C)C(C)N[C@H](C(=O)Oc1nc2ccccc2c2ccc(N3CC[C@H]4CCCC[C@@H]4C3)cc12)[C@@H](C)O,0.24, 0.15247950699294016),32633,TRUE
CCc1ccc2c(c1)c(Oc1cc(C(C)(N)/C=C/C=O)c(Cl)cc1Cl)nc1cc([C@H]3CO3)ccc12,0.24, 0.12555681684489364),32640,TRUE
CC(=O)c1oc(C(C)(CCNC(C)/C=C/C=O)NC2CCCC2)c(C[C@@H](C=O)C[C@@H](C)O)c1C[C@H]1COC(=O)C1C,0.24, 0.11014038657151666),32647,TRUE
CC(N)(/C=C/C=O)Oc1ccc(O)cc1Oc1nc2cc(N[C@H](C=O)CCCC(N)=O)ccc2c2ccccc12,0.24, 0.08317761768227504),32654,TRUE
Nc1ccc(C[C@H](N)C(=O)C(=O)N2CCNC(n3ccc4ncnc-4c3)C2)cc1NC1CCCC1,0.24, 0.29577411661401004),32668,TRUE
CC(C)c1cc(-c2ccccc2[N+](=O)[O-])cc(C[C@H](N)C(=O)C(N)=O)c1N,0.24, 0.2923609157880156),32675,TRUE
CC(=O)Nc1cc(Cc2ccc3c(c2)OCO3)ccc1Cc1ccc(-c2c(C)noc2C)c(C)c1OC(=O)/C=C/C(C)N,0.24, 0.1412323437119284),32689,TRUE
C#CC[C@@H](C=O)N(C(=O)/C=C/c1ccc(CC(/C=C/C=O)N[C@@H]2C[C@H]3CCCC[C@@H]3[C@@H](C)O2)cc1)C(=O)c1cccs1,0.24, 0.208392879473986),32696,TRUE
CC(=O)c1oc(C(C)(N)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)cc1-c1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)c(O)c1C,0.24, 0.025635671844097596),32703,TRUE
CC(/C=C/C(=O)OC(C)N(C(=O)c1cccs1)/C(C=O)=C\c1ccco1)NCc1ccccc1CC=O,0.24, 0.15421568254408596),32710,TRUE
N#Cc1cccc(CC(N)(/C=C/C=O)Oc2nc3cc(-c4cccc([N+](=O)[O-])c4)ccc3c3ccccc23)c1,0.24, 0.06840274416688383),32717,TRUE
Cc1cc(-c2ccc(N)cc2)c(CC(N)C(=O)C(=O)Nc2ccc3c(c2)OCO3)c2c(O)ccnc12,0.24, 0.24048332732299646),32724,TRUE
C[C@H](NC(=O)c1cc(C[C@@H]([C@@H](C)O)N(C(=O)[C@@H](N)C(C)(C)C)c2oc3cccc(O)c3c(=O)c2O)c(Cl)s1)C(=O)C=O,0.24, 0.16535946851877367),32731,TRUE
N#Cc1ccc2c(c1)C(=O)C(=O)N2C(c1c(C[C@H](N)C(=O)C=O)cc(B(O)O)cc1[N+](=O)[O-])C1CCCCC1,0.24, 0.13504472160693354),32738,TRUE
CC(/C=C/C(=O)NS(=O)(=O)C1CC1C(C)C)NC(C[C@H](C)N)O[C@H]1CCOC1CC[C@H](N)C(=O)O,0.24, 0.1505409900942174),32745,TRUE
CC(/C=C/C=O)N[C@@H](Cc1cc(N(C(=O)C(Cl)=C(Cl)Cl)c2ccccc2Cl)c2cc[nH]c2c1)[C@H](N)C=O,0.24, 0.20336106801563716),32752,TRUE
C[C@H]1O[C@@H](NC(C)(/C=C/C=O)N2C[C@@H]3CCC[C@@H]3C2Oc2nc3ccccc3c3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.20079232723353022),32759,TRUE
CC[C@@H](O)[C@H](O)[C@H](C)NC(CN[C@@H](C)C(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C[C@H]1Cc1cccc(C#N)c1)[C@H](N)C=O,0.24, 0.16243575664681426),32766,TRUE
Cn1c(CNC(C)(/C=C/C=O)C2CCCC2)nc2cc(Oc3coc4cc(O)cc(O)c4c3=O)ccc21,0.24, 0.23374619746604675),32773,TRUE
Nc1ccc(N2C(c3ccc4c(c3)OCO4)[C@@H]2C[C@H](N)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1,0.24, 0.13185758678532805),32780,TRUE
CC(N)(/C=C/C=O)Oc1nc2cc(Cc3ccc4c(c3)OCO4)ccc2c2ccc(-c3cncs3)cc12,0.24, 0.13124502506328478),32787,TRUE
C[C@@H](C(=O)NN(C=O)CC(C(N)=O)[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)N(C=O)C(=O)/C=C/C(C)(N)C1CCC1,0.24, 0.0850543132494812),32794,TRUE
Cc1oc(=O)oc1CN[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccc(-c3ccc4c(c3)OCO4)cc12,0.24, 0.18615664139675905),32801,TRUE
CNc1c(C=O)[nH]c2cccc(OC3CC[C@@H]4CN[C@H](CC(N)/C=C/C=O)C[C@@H]4C3Oc3cccnc3)c12,0.24, 0.2375060208133413),32808,TRUE
Nc1ccc(Nc2cccc3nc(OC4(C[C@H](N)C(=O)C(=O)Oc5ccccc5)CC4)c4ccccc4c23)cc1,0.24, 0.07442211182643939),32836,TRUE
CSc1c(-c2cc(S(=O)(=O)NC(=O)C(=O)[C@H](C)N)ccc2N)c(C)cs1,0.24, 0.37319365904531415),32843,TRUE
N[C@H](C(=O)C=O)C(c1ccc(Cl)cc1)c1cc2nc[nH]c2cc1Oc1nc2cc(-c3ccccc3)ccc2c2ccccc12,0.24, 0.10609915436188995),32850,TRUE
CC(C)Oc1cc2c(cc1-c1cncs1)c(OC(C)(N)/C=C/C=O)nc1cc(Nc3ccc(N)cc3)ccc12,0.24, 0.06429104099311252),32857,TRUE
C[C@H](N)C(=O)C(=O)O[C@H]1C(c2cccc(N)c2)O[C@H]2OC(Oc3nc4ccccc4c4ccc(N)cc34)C[C@H]21,0.24, 0.1465613974240723),32871,TRUE
N[C@H](C(=O)C=O)C(c1cccc2[nH]c(C=O)cc12)c1nnc(S)n1-c1ccccc1-c1ccccc1Cl,0.24, 0.15543652564197874),32892,TRUE
COC(=O)/C=C/c1cccc(-c2ccc(-c3c(C)nc(C[C@H](N)C(=O)C=O)s3)cc2)c1,0.24, 0.25164052594845665),32899,TRUE
CC(C)(C)Nc1c(C(=O)Oc2nc3ccccc3c3ccccc23)[nH]c2cccc(-c3cc(F)cc(Cl)c3C(C)(N)/C=C/C=O)c12,0.24, 0.07012502681608151),32906,TRUE
CSc1sc(Cn2cc3c(c2)C(=O)C=CC3=O)c(C)c1-c1ccc(CN[C@@H](C)C(=O)C(N)=O)cc1C#N,0.24, 0.31728340926337306),32913,TRUE
CC(C)CC(=O)N(C(=O)C(C)c1nc(C=Nc2ccccc2)c(O)o1)C(C)(OCC=O)C(O)CN(C(C)/C=C/C=O)[C@@H](C)C=O,0.24, 0.10748320085757766),32920,TRUE
[H]C1CC(C[C@H](N)C(=O)C=O)C1,0.24, 0.4680253652692318),32927,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc(=O)c2c(O)cc(O)c([C@@H]3C[C@@H]4C(CCC)CCC[C@@H]4CN3)c2o1,0.24, 0.3678415923402924),32934,TRUE
C[C@H](NC(N)(/C=C/C=O)Cc1cccc(C#N)c1)C(=O)NS(=O)(=O)c1ccc(N)cc1C[C@H](N)C(=O)C(F)(F)F,0.24, 0.10194027718368145),32941,TRUE
N[C@@H](Cc1c(C=O)ccc(Oc2nc3ccccc3c3ccccc23)c1-c1ccccc1F)C(=O)C=O,0.24, 0.17601184687256088),32948,TRUE
CC(O)C(C)(C)N(C(=O)/C=C/c1ccc(Cl)cc1F)C(=O)C(=O)[C@@H](N)Cc1cccc(N)c1,0.24, 0.3058782101584696),32955,TRUE
CC[C@H](C)c1cc2c(cc1CC(N)(/C=C/C=O)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)nc(Cc1cccc(O)c1)n2C,0.24, 0.07318211105227115),32962,TRUE
CCN(C(=O)c1nc2ccccc2[nH]1)C(/C=C/C=O)CC1(c2coc3cc(O)cc(O)c3c2=O)C(=O)OC[C@@H]1C,0.24, 0.17138075538169553),32969,TRUE
CC(C)NC(C)(/C=C/C(=O)Nc1ccc(Cl)c(Oc2nc3ccccc3c3ccccc23)c1)N[C@H](C(=O)[C@H](C=O)CO)[C@@H](C)O,0.24, 0.04359275861296516),32976,TRUE
C[C@@H](O)[C@H](N)C(=O)[C@@H](CO)C(=O)NC(C)(/C=C/C=O)Sc1ccccc1-c1ccc(C(=O)CF)o1,0.24, 0.07909823524857038),32983,TRUE
CC(N)(/C=C/C(=O)N[C@H](C=O)CCCC(N)=O)Nc1ccc(N)c(Oc2nc3ccccc3c3ccccc23)c1,0.24, 0.059326195832668044),32990,TRUE
CC[C@@H](C)[C@@H](C=O)N(C(=O)C(=O)[C@H](C)N)c1nc([SH](=O)=O)c(CN2C(=O)C(=O)c3cc(C#N)ccc32)cc1C(C)(N)/C=C/C=O,0.24, 0.11767211698124845),32997,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccc(Nc3ccc(Cl)cc3)cc12,0.24, 0.2785557537350877),33004,TRUE
CC(C)CN[C@@H](CC1CCCC1)C(=O)C=O,0.24, 0.5318720949198714),33011,TRUE
CC(N)C(O)CN(C(=O)C(C)(C)c1ccccc1)C(C)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.18557319514565712),33018,TRUE
Cc1csc(-c2ccc(CS(=O)C3=[SH]c4ncccc4N3)c3c2nc(OC(=O)C(=O)[C@H](C)N)c2ccccc23)n1,0.24, 0.08691993898577656),33025,TRUE
CCOc1cc(NC(=O)/C=C/C(C)(N)Sc2ncc(N[C@H](C(=O)[C@H](C=O)CC(C)C)[C@@H](C)O)cn2)ccc1-c1ccccc1,0.24, 0.04249613494790499),33032,TRUE
CC(/C=C/C=O)NC(=O)[C@@H](N)C(Oc1nc2ccccc2c2c(CS(=O)C3=[SH]c4ncccc4N3)cccc12)C(C)C,0.24, 0.07007844400099497),33039,TRUE
C[C@H](N)C(=O)C(=O)NC1(c2cc(B(O)O)cc([N+](=O)[O-])c2)CCCC(CCC=O)C1,0.24, 0.1384513439533188),33053,TRUE
Cc1nc(-c2nc(S)nc(C(C)(/C=C/C=O)NCc3csc(N)n3)c2NC(C)(C=O)Oc2nc3ccccc3c3ccccc23)cs1,0.24, 0.029508068716446536),33060,TRUE
CCc1ccc2c(Cn3cc4c(c3)C(=O)C=CC4=O)cccc2c1C[C@H](N)C(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C[C@H]1C,0.24, 0.40397796882382386),33067,TRUE
[H]Oc1c(Cl)cccc1CN[C@@H](C[H])C(=O)C=O,0.24, 0.6023184194385992),33074,TRUE
NC(/C=C/C=O)Cc1ccc2c(Oc3cccc4[nH]c(C=O)c(-n5cc6c(c5)C(=O)C=CC6=O)c34)c[nH]c2c1,0.24, 0.2025205607488131),33081,TRUE
NC(/C=C/C(=O)Oc1nc2cc(-c3ccc4cc[nH]c4c3)ccc2c2ccccc12)Cn1ccc2ncnc-2c1,0.24, 0.16345943113938702),33088,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NC(=O)c1nc2ccccc2[nH]1)c1nc2ccccc2c2ccccc12,0.24, 0.1126450626158393),33095,TRUE
CCN[C@@H](C)C(=O)C(=O)Oc1nc2c(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)c(OC)ccc2c2ccc(-c3c(C)noc3C)cc12,0.24, 0.10218665719719448),33102,TRUE
Cc1c(O)cccc1N1CCCN(C(C)(C)COC(c2oc3cc(O)cc(O)c3c(=O)c2O)C(N)/C=C/C=O)C1=O,0.24, 0.18980486819582554),33109,TRUE
CC(C)[C@@H](C=O)c1ccc2c(=O)[nH]n(C[C@H](N)C(=O)C=O)c(=O)c2c1,0.24, 0.5239681044449346),33116,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)NC(C)(N)/C=C/C(=O)N(C)C(=O)c1cc([C@H](N)C(=O)Oc2nc3ccccc3c3ccccc23)c(Cl)s1,0.24, 0.05924153359954615),33123,TRUE
C[C@H](NC1(N)CC1)C(=O)C(=O)Oc1nc2cc(-c3c(F)cc(F)cc3F)ccc2c2cc(-c3ccc4[nH]cnc4c3)ccc12,0.24, 0.09067717407224742),33130,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](C)C(CC(=O)NS(=O)(=O)C1CC1)c1cc(Br)cnc1CC(N)C(=O)C(F)(F)F,0.24, 0.2406894511548249),33137,TRUE
[H]N(C(=O)/C=C/c1ccccc1)C(=O)C(=O)[C@H](C)N,0.24, 0.5887357476121419),33144,TRUE
CC(N)/C=C/C(=O)Oc1nc2cc(-c3ccccc3/C=C/C=O)ccc2c2c(-c3cccc4[nH]c(C=O)cc34)cccc12,0.24, 0.08855440789921397),33151,TRUE
CC(N)/C=C/C(=O)Oc1nc2cc(Oc3cccc(Cc4ccc(Br)cc4)c3)ccc2c2ccccc12,0.24, 0.129702323665212),33158,TRUE
[H]C(c1cccc2c1c(OC(=O)C(=O)[C@H](C)N)nc1ccccc12)N1C(=O)C(=O)c2cc(C#N)ccc21,0.24, 0.2619782726916953),33165,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(N)cc(Nc3ccc([N+](=O)[O-])cc3Cl)c2c2ccccc12,0.24, 0.092125704888226),33179,TRUE
CC[C@H](N)C(=O)NC(C)/C=C/C(=O)Nc1cccc(Cc2ccc(-c3c(Oc4nc5ccccc5c5ccccc45)ccc(O)c3C)nn2)c1,0.24, 0.085400991178147),33186,TRUE
Cc1nc(-c2c(C=O)[nH]c3cccc(Oc4ccc5c(c4)nc(OC(C)(N)/C=C/C=O)c4ccccc45)c23)cs1,0.24, 0.09378965171874562),33193,TRUE
C[C@@H](C=O)NC(=O)C(=O)[C@@H](N)Cc1c(F)cc(F)cc1F,0.24, 0.5819885252504119),33200,TRUE
[H]C[C@H](NCc1ccccc1[H])C(=O)C=O,0.24, 0.5560633620848047),33207,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C(=O)Oc1nc2ccccc2c2c(Sc3ccccc3)cccc12)[C@@H](C)O,0.24, 0.1897370655548527),33221,TRUE
CC(N)(/C=C/C(=O)N1CCC(Oc2nc3ccccc3c3c(CC=O)cccc23)C1)OC(C)(C)C(N)=O,0.24, 0.19769358199268827),33235,TRUE
CC(C)C(NCC=O)C(=O)NC(C)(/C=C/C=O)N[C@@H](C)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.11300026372777758),33242,TRUE
C[C@H](NCc1ccn(C)c1)C(=O)C(=O)Oc1nc2c([C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)ccc(O[C@@H](C)[C@H](N)C=O)c2c2ccccc12,0.24, 0.0686023909513124),33249,TRUE
N[C@@H](C[C@@H]1C(c2ccc([SH](=O)=O)nc2)CCN1c1cccnn1)C(=O)C=O,0.24, 0.3710307063925493),33263,TRUE
CCCNC(=O)/C(=C/c1ccc([C@H](C=O)C(C)C)o1)NC(C)(c1ccc(F)cc1)[C@@H](C=O)NC(=O)C(=O)[C@H](C)N,0.24, 0.1476930588504671),33270,TRUE
CC(N)(/C=C/C(=O)Nc1c(Cl)cccc1Oc1nc2ccccc2c2ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12,0.24, 0.17215223500101243),33277,TRUE
Cc1cccc(C)c1CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)NCc1oc(=O)oc1C,0.24, 0.16266525067665835),33284,TRUE
C[C@H](N)C(=O)N(C(=O)/C=C/C(N)C(c1nc(S)[nH]c(=O)c1C#N)n1cc(Oc2nc3ccccc3c3ccccc23)nn1)C1CC1,0.24, 0.0797823685637225),33291,TRUE
CC(C)C(Nc1ccccc1)[C@@H](C(=O)N[C@@H](C)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12)C(=O)[C@@H](N)[C@@H](C)O,0.24, 0.08466362236829525),33298,TRUE
N[C@@H](Cc1ccc(-c2cc(C3CCOC3=O)c(Cl)cc2Cl)c(/C=C/C=O)c1)C(=O)C=O,0.24, 0.27984527111353974),33305,TRUE
CC(C)[C@@H](C=O)Nc1ccc(CC(N)/C=C/C(=O)N[C@H](C=O)[C@H](O)Cc2cc(O)c3c(=O)ccoc3c2)nn1,0.24, 0.1514049856614776),33312,TRUE
CCCC[C@H](NC(=O)C(=O)[C@H](C)N)C(=O)Oc1nc2cc(On3nnc4ccccc43)ccc2c2ccccc12,0.24, 0.15406893988068404),33319,TRUE
Cc1csc(C(C)NC(/C=C/C=O)Cc2cc(O)cc(Sc3nncn3-c3ccccc3-c3ccn(C)n3)c2)n1,0.24, 0.16221337103026687),33347,TRUE
Cc1cccc(C)c1COC(=O)/C=C/C(C)N(CCC(=O)O)C(c1ccccc1)c1ccc(Cl)cc1C(C)(C)C,0.24, 0.19091390976135902),33354,TRUE
C=C[C@@H]1C(Oc2nc3ccccc3c3ccccc23)[C@H]1N(C(=O)/C=C/C(C)(N)c1ccc(F)cc1)C(=O)c1cc2c(O)cccc2[nH]1,0.24, 0.09771229771044579),33361,TRUE
CC(N)(/C=C/C=O)c1c[nH]c2ccc(Oc3nc4ccccc4c4cccc(CN5C(=O)C(=O)c6cc(C#N)ccc65)c34)cc12,0.24, 0.09752057685783931),33368,TRUE
N[C@H](C(=O)C(=O)NC=O)C(Oc1nc2ccccc2c2ccccc12)c1ccccc1,0.24, 0.2737388580855817),33375,TRUE
N[C@@H](Cc1cc(Oc2nc3ccccc3c3ccccc23)c(F)cc1Cl)C(=O)C=O,0.24, 0.2785335574540277),33382,TRUE
CC(Oc1nc2ccccc2c2ccccc12)[C@H](C)NC(=O)C(=O)[C@H](C)NCc1ccc(Cl)cc1,0.24, 0.25354137908557706),33389,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(N)ccc2c2ccccc12,0.24, 0.3303441624131991),33403,TRUE
C[C@@H](O)C[C@H](C=O)Cc1cccc2nnn(Cn3ccc4nc(-c5c(F)cc(F)c(C(C)(N)/C=C/C=O)c5F)nc-4c3)c12,0.24, 0.17468549541282213),33410,TRUE
CNc1c(C[C@H](N)C(=O)c2ncc(Oc3nc4ccccc4c4ccccc34)s2)ccc(Cl)c1C[C@H](N)C(=O)C=O,0.24, 0.08623535000141205),33417,TRUE
CC(=O)c1cc(N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)N)c(C(N)(C(=O)C(=O)C(Oc2nc3ccccc3c3ccccc23)c2cccnn2)[C@@H](C)O)o1,0.24, 0.05651052056491845),33424,TRUE
CC(c1ccccc1O)[C@@H](C=O)N(C(=O)C(=O)[C@H](C)N)c1cc(Sc2ccccc2)c(C(=O)CF)o1,0.24, 0.22464321604173684),33431,TRUE
CC1C(=O)OC[C@@H]1Cc1cc(Oc2nc3ccccc3c3ccccc23)c(C(C(N)/C=C/C=O)n2ccnn2)nn1,0.24, 0.125129537131989),33438,TRUE
[H]c1cc(OC(=O)C(=O)[C@@H](N)Cc2ccccc2/C=C/C=O)c(-c2ccc(F)cc2)cc1O,0.24, 0.18528196385713525),33445,TRUE
CC[C@@H](C(=O)O)N(C[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C=O)C(C)/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,0.24, 0.11233711641405643),33452,TRUE
CN[C@@H](C)C(=O)C(=O)Oc1nc2c(O[Na])c(OP(=O)(O)O)ccc2c2ccccc12,0.24, 0.1614576684922788),33459,TRUE
C[C@H](O)[C@@H](C=O)NC(C)(/C=C/C=O)NC(=O)/C=C/c1ccccc1Oc1nc2ccccc2c2ccccc12,0.24, 0.11599917190939801),33473,TRUE
CC(/C=C/C(=O)OC(Oc1nc2ccccc2c2ccccc12)C(C)C)NC(=O)C(Nc1ccccc1)[C@@H](C)N,0.24, 0.10388920405143258),33480,TRUE
CCc1cccc2sc(C(c3nc(C)cs3)C(/C=C/C=O)(NCc3cccc(Cl)c3)c3c(F)cc(F)cc3F)cc12,0.24, 0.12682507249629935),33487,TRUE
[H]C(=O)[C@@H](NC(=O)C(=O)[C@@H](N)Cc1ccc2c(c1)nc(C)n2C)C(C)(C)C,0.24, 0.5928024940194396),33494,TRUE
CC1C(=O)OC[C@@H]1C1C[C@H](OC2CC2NC(=O)/C=C/C(C)(N)c2cc(C3CC(CN)OC3=O)no2)CO1,0.24, 0.29596412679583695),33508,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)NC(N)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)Cc1cccc(O)c1,0.24, 0.07821146631176562),33522,TRUE
CC(C)C(Oc1nc2ccccc2c2cccc(Sc3ncccn3)c12)C(=O)N(C(=O)[C@@H](N)C(C)(C)C)C(C)/C=C/C=O,0.24, 0.1071042529499775),33529,TRUE
C[C@H]1O[C@@H](CC(N)(/C=C/C(=O)O[C@H]2CCOC2c2cc(=O)c3c(O)cccc3o2)c2ccc(S(N)(=O)=O)nc2)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.13420096155308564),33536,TRUE
[H]N[C@@H](C)C(=O)C(=O)Oc1nc2cc(C(F)(F)C(=O)c3ccco3)ccc2c2ccccc12,0.24, 0.2109814935240151),33543,TRUE
C[C@H](N)C(=O)C(=O)N(C(=O)/C=C/c1ccccc1)c1cc(N[C@@H](C)[C@@H](C)O)c(C(=N)N)cc1-c1ccc(O)cc1CC=O,0.24, 0.06077374127680343),33550,TRUE
[H]N[C@@H](Cc1cc2oc(N3CCC(C)CC3)cc(=O)c2c(O)c1[H])C(=O)C=O,0.24, 0.612758299436476),33557,TRUE
Cc1oc(=O)oc1CNC(C)/C=C/C(=O)Oc1nc2ccccc2c2ccc(-n3cc4c(c3)C(=O)C=CC4=O)cc12,0.24, 0.17548251410563803),33564,TRUE
CC(N)(/C=C/C(=O)N[C@@H](CC(C=O)n1cc2c(c1)C(=O)C=CC2=O)C(=O)C(F)(F)F)Oc1nc2ccccc2c2ccccc12,0.24, 0.116343551166811),33571,TRUE
CC[C@@H](C=O)NC(C=O)C[C@@H](C(=O)Cc1cncs1)N(C(=O)/C=C/C(C)N)C(=O)[C@@H](N)C(C)(C)C,0.24, 0.24353177196832718),33578,TRUE
CC(N)(/C=C/C=O)c1c(-c2cc(O)c(O)cc2Nc2cccc(N3CC[C@@H]4CCCC[C@@H]4C3)c2)ccc2ccccc12,0.24, 0.08023602474869218),33585,TRUE
CC(/C=C/C(=O)NS(=O)(=O)C1CC1Oc1nc2ccccc2c2ccccc12)NC(=O)C(=O)[C@H](C)N,0.24, 0.220993646429337),33592,TRUE
CCCc1cccc2nc(OC(=O)C(=O)[C@H](C)N)c3ccccc3c12,0.24, 0.4395218516520589),33599,TRUE
Cc1c(O)c(-c2ccnc(S)n2)c(C[C@H](N)C(=O)C=O)cc1C(C)/C=C/C=O,0.24, 0.2037290691650252),33606,TRUE
CC(C)COc1cc(CC(N)/C=C/C(=O)Nc2cccc(CC(=O)[C@@H](N)CCC=O)c2)cc2c1OCO2,0.24, 0.26055858042888597),33620,TRUE
Cc1csc(CC(N)(/C=C/C=O)Oc2nc3cc(-c4ccc(C=O)s4)ccc3c3ccc(-c4ccc(O)cc4)cc23)n1,0.24, 0.07975522941945008),33627,TRUE
N[C@@H](CC1(c2cccc3[nH]c(C=O)cc23)CCC1)C(=O)C=O,0.24, 0.6288153333428518),33634,TRUE
N[C@H](C(=O)C=O)C(O)c1cc(O)c(O)c(O)c1,0.24, 0.25655550242233577),33648,TRUE
N[C@H](C(=O)C=O)C(c1ccc(/C=C/C=O)cc1)c1c(F)cc(F)cc1F,0.24, 0.46709055294515395),33655,TRUE
[H]C1CCC1C(C1CC1)[C@H](N)C(=O)C=O,0.24, 0.5236370740669908),33662,TRUE
CC(N)/C=C/C(=O)Nc1ccc(N[C@H]2CN2)c([C@@H](C)C(C)N2CCN(Cc3cccc(Cl)c3)CC2)c1,0.24, 0.2864281470152111),33676,TRUE
CC(N)(/C=C/C=O)N(C(=O)/C=C/c1ccc(Cl)cc1F)C(C=O)C(CC(=O)O)Oc1cncc(Cl)c1,0.24, 0.2384969006485237),33683,TRUE
Cc1csc(-c2cccc3c2nc(Oc2cc(O)cc(C[C@H](N)C(=O)C=O)c2N[C@H](C=O)C(C)(C)C)c2ccccc23)n1,0.24, 0.07670365358488128),33690,TRUE
C[C@H](N)C(=O)C(=O)NC(C)(C(=O)C(F)(F)F)C1CCCCC1NCC1CCCC1,0.24, 0.5240625525825724),33697,TRUE
C=C[C@@H]1C[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C(=O)[C@@H](N)Cc1cc(=O)c2c(O)cc(O)cc2o1,0.24, 0.25070165109891396),33711,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2c(-c3ccccc3)cccc2c2c(C[C@H](N)C(=O)C(F)(F)F)cccc12,0.24, 0.22004040180015944),33718,TRUE
CCOC(=O)/C=C/C(C)(NC(=O)C(Cl)=C(Cl)Cl)NC(Cc1ccc2[nH]c(C=O)cc2c1)C(C)O,0.24, 0.15215912030978207),33725,TRUE
N[C@@H](Cc1oc2c(-c3cccc(-c4ccc(F)cc4)c3/C=C/C=O)c(O)cc(O)c2c(=O)c1O)C(=O)C=O,0.24, 0.1557367655887287),33732,TRUE
N[C@@H](Cc1c(-c2ccc(F)cc2Cl)[nH]c2c(Sc3nncn3-c3ccccc3)cccc12)C(=O)C=O,0.24, 0.22065077016606985),33739,TRUE
CC(=O)C(=O)C(NC(=O)[C@@H](N)C(C)(C)C)(Nc1ccc(Cl)cc1N[C@H](C=O)CCC=O)[C@@H](C)O,0.24, 0.15396581715338245),33746,TRUE
CCCC1=C(O)OC(C[C@H](N)C(=O)C(=O)Oc2ccc(O)c(CCC)c2)CC1=O,0.24, 0.3237335704490691),33753,TRUE
CC[C@H](Nc1ccc2c(c1)nc(OC(C)(N)/C=C/C=O)c1cc(-c3ccc(O)cc3)ccc12)C(=O)N1CC[C@H]2CCCC[C@@H]2C1,0.24, 0.0830232818501172),33760,TRUE
CNC(=O)/C=C/C(C)(N)Oc1nc2ccc(-c3cc(-c4cccc(Cl)c4)c(C(C)=O)o3)cc2c2ccccc12,0.24, 0.10535001324232075),33767,TRUE
[H]Cc1cccc2nnn(C[C@H](N)C(=O)C(=O)Oc3nc4ccccc4c4ccccc34)c12,0.24, 0.2616154807544334),33774,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2ccccc2c2ccc(-c3cccc4ccccc34)c(-c3cc(F)c(F)cc3F)c12,0.24, 0.1070446728971454),33781,TRUE
[H]OC(=O)c1[nH]c2cccc(OC(=O)C(=O)[C@H](C)N)c2c1N[C@H](C=O)C([H])C,0.24, 0.2358169312749853),33788,TRUE
CCCc1ccc2c(c1)c(OC(C)(N)/C=C/C=O)nc1cc(C(F)(F)n3cc4c(c3)C(=O)C=CC4=O)ccc12,0.24, 0.14024086477087333),33802,TRUE
CC(N)/C=C/C(=O)N[C@@H](CC(N[C@@H](C)/C=C/C=O)C(=O)NCc1cccc(C#N)c1)C(=O)C(F)(F)F,0.24, 0.23094516441652393),33809,TRUE
CC(C)(C)Oc1cc(-c2cccnn2)c(C(C)(N)/C=C/C=O)c(Oc2nc3ccccc3c3ccccc23)n1,0.24, 0.15499049467064485),33816,TRUE
CC(=O)n1ccc2cc(-c3cc(NC(=O)/C=C/C(C)N)ccc3Nc3cccc4ccccc34)c(Oc3nc4ccccc4c4ccccc34)cc21,0.24, 0.10873652013129023),33823,TRUE
[H]OC(=O)C(=O)[C@H](C)NCC(C)C,0.24, 0.585693802580214),33830,TRUE
C[C@H]1O[C@H](CC(N)/C=C/C(=O)Oc2nc3ccccc3c3ccc(CC=O)cc23)C([C@H]2CO2)[C@H]2CCCC[C@@H]21,0.24, 0.14553365532363566),33837,TRUE
CC(C)C[C@H](N)C(=O)N(C(=O)C(=O)[C@H](C)N)[C@H](C=O)C(C)Oc1nc2ccccc2c2ccccc12,0.24, 0.24915810574721764),33844,TRUE
[H]C1C(=O)C(CCC)=C(O)OC1C(c1cccc([H])c1C)[C@H](N)C(=O)C=O,0.24, 0.5788183170521544),33851,TRUE
C=C(CC)C(=O)c1c(N(C(=O)c2ccc3ccccc3n2)[C@H](C=O)CC)[nH]c2cccc(C(C)(N)/C=C/C=O)c12,0.24, 0.14977453900559687),33858,TRUE
CC(N)(/C=C/C=O)c1c(Oc2nc3ccccc3c3cccc(Oc4ocnc4C=Nc4ccccc4)c23)cc(O)c(Cl)c1Cl,0.24, 0.06951621397204183),33865,TRUE
[H]N(C=O)c1cc2c(cc1C[C@H](N)C(=O)C=O)nc(C)n2C,0.24, 0.5782991593001165),33872,TRUE
CC(C)C(N[C@H](C(=O)C(N[C@@H](C)[C@@H](C)O)[C@@H](C)C=O)C(C)C)OC(=O)/C=C/C(N)Cc1cncs1,0.24, 0.11329501380481002),33879,TRUE
CC(N)(/C=C/C(=O)Nc1cccc(CC(=O)c2ccc(Oc3nc4ccccc4c4ccccc34)o2)c1)Oc1ccc(O)cc1,0.24, 0.06533220374677162),33886,TRUE
CC(C)C(OC(c1ccccc1N(c1ccc([SH](=O)=O)nc1)[C@@H](C)C=O)C(N)/C=C/C=O)c1ccc(C=O)o1,0.24, 0.17172775516422273),33893,TRUE
CC(N)/C=C/C(=O)N1CC(N[C@@H](C)[C@@H](O)C[C@H](C)N)NCC1(C[C@H](N)[C@@H](C)O)N[C@H](C=O)CC(N)=O,0.24, 0.07691152690884945),33907,TRUE
[H]c1ncccc1Oc1ccc2c(c1)nc(OC(=O)C(=O)[C@H](C)N)c1c(O)cccc12,0.24, 0.2958369951927616),33914,TRUE
CC(N)/C=C/C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)Oc1nc2ccccc2c2ccc(-n3cc4c(c3)C(=O)C=CC4=O)cc12)C(C)C,0.24, 0.11717182621860402),33928,TRUE
C[C@@H](CCC(=O)N(c1ccccc1)c1csc(C(=O)[C@H](C)NC(=O)C(=O)[C@H](C)N)n1)Nc1ccc([N+](=O)[O-])cc1,0.24, 0.12063349263602727),33935,TRUE
C[C@H](N)C(=O)C(=O)O[C@@H](C)[C@H](N)C(=O)Oc1oc(NS(=O)(=O)c2ccc(N)cc2)nc1C=Nc1ccccc1,0.24, 0.1111464572772367),33942,TRUE
N[C@@H](Cc1ccc(/C=C/C(=O)Oc2cccc(C3(N)CC3c3ccccc3)c2NS(=O)(=O)C2CC2)cc1)C(=O)C=O,0.24, 0.0979641488872154),33956,TRUE
Cc1cccc(C)c1C(Nc1cccc(N[C@@H](CCC=O)C(=O)CF)n1)(Oc1nc2ccccc2c2ccccc12)C(N)/C=C/C=O,0.24, 0.0538751172564718),33963,TRUE
NC(/C=C/C=O)(CC1C(=O)OC[C@@H]1Cc1ccc(/C=C/C=O)c(-c2cccnn2)c1)c1cccc([N+](=O)[O-])c1,0.24, 0.12964418475260442),33970,TRUE
NC(/C=C/C=O)C(Oc1nc2cc([C@@H]3C[C@H]4CCCC[C@@H]4CN3)ccc2c2ccccc12)c1ccc(/C=C/C(=O)O[Na])cc1,0.24, 0.10447183955411736),33991,TRUE
CC[C@H](N)C(=O)NC(/C=C/C(=O)N[C@@H](C)[C@@H](O)C[C@H](C)N)Cc1cc(NC2CC2)c(Oc2nc3ccccc3c3ccccc23)cn1,0.24, 0.08264678396206407),33998,TRUE
CC(N)/C=C/C(=O)N(C(=O)c1ccc(Cl)o1)c1ccc(N)c(N[C@H](C(=O)N2CCC(C)CC2)[C@H](C)O)c1,0.24, 0.2990439103779804),34012,TRUE
CC(=O)[C@@H](N)CC12CCCCC1C[C@@H](CC(N)/C=C/C(=O)Oc1nc3ccccc3c3ccccc13)NC2,0.24, 0.23127667035743413),34019,TRUE
CC(=O)N(Cc1csc(NC[C@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)[C@@H](C)O)n1)C(C)/C=C/C(=O)N[C@@H](C)[C@@H](O)C[C@H](C)N,0.24, 0.1470128567533506),34026,TRUE
Cc1noc(C)c1C(C)(N)/C=C/C(=O)N(C(=O)c1cc2ccccc2[nH]1)c1ccc(NC(=O)[C@@H](N)C(C)C)cc1,0.24, 0.24146188764296117),34033,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C=O)C(C)(C)C,0.24, 0.49342822992033675),34040,TRUE
C[C@H](NC[C@H]1O[C@H](C)C(Oc2ccccc2)[C@H]2CCC(c3ccn(C)n3)C[C@H]12)C(=O)C(=O)NC1CCCC1,0.24, 0.4872855200696815),34047,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccc(N)cc1,0.24, 0.3962067783984827),34054,TRUE
Cn1cc(CNC(C)(/C=C/C=O)c2ccc(C(=O)C(F)(F)Nc3ccccc3)o2)c(NCc2cccs2)c1,0.24, 0.08453769521545239),34061,TRUE
CC(C)[C@H](NCC=O)C(=O)NC(/C=C/C=O)(Cc1cc2cc(C=O)[nH]c2cc1Sc1nncn1-c1ccccc1)c1cccc(=O)o1,0.24, 0.11176294294488694),34068,TRUE
CC[C@H](C)NC1CC(C)CCN1C1(C(=O)O)CC1(C)S(=O)(=O)NC(=O)C(=O)[C@H](C)N,0.24, 0.35119063921455823),34075,TRUE
C[C@@H](O)[C@@H](C=O)Nc1cc(-c2ccc3[nH]ccc3c2)c2c(c1)nnn2C[C@H](N)C(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O,0.24, 0.105160392345614),34082,TRUE
CC(/C=C/C(=O)Oc1nc2c(C[C@@H](N)CC=O)cccc2c2ccccc12)NC(=O)c1ccc(Oc2ccc(O)cc2)o1,0.24, 0.08270323249718813),34089,TRUE
O=CC(=O)[C@H](C[C@@H]1C[C@@H]2C(O[Na])CCC[C@@H]2CN1)NC(=O)c1cc2c(O)cccc2[nH]1,0.24, 0.29629456203273),34096,TRUE
[H]c1c(Oc2nc3cc(CN)ccc3c3ccccc23)c(O)cc([C@@H]2CCCN2)c1OC(=O)C(=O)[C@H](C)N,0.24, 0.12916202195083457),34103,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1ccccc1N[H],0.24, 0.3962067783984827),34110,TRUE
[H]C12CCCCC1C[C@@H](C[C@H](N)C(=O)C=O)NC2,0.24, 0.5567016766873707),34117,TRUE
CC(C)c1cc(/C=C/C=O)cc(C(c2ccccc2)C(N)(/C=C/C=O)NCc2ccc(S(N)(=O)=O)nc2)c1,0.24, 0.1841013913100678),34124,TRUE
Cc1c(O)cccc1C[C@H](NC(N)(/C=C/C=O)C(c1ccccc1)c1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)[C@H](C)N,0.24, 0.06133536626742936),34131,TRUE
Cc1csc(C[C@H](N)C(=O)C(=O)Nc2ccc(Cl)c(O)c2)n1,0.24, 0.7212694546892205),34138,TRUE
CC(C)(C)OC(C)(N)/C=C/C(=O)N(c1ccc(-c2cc(Nc3ccc(Cl)cc3)c(C=O)s2)c(O)c1)C1CC1,0.24, 0.15159150019851353),34145,TRUE
Cc1ccc(Oc2nc3ccccc3c3ccccc23)c(C)c1-c1c(Cl)cccc1CNC(C)/C=C/C=O,0.24, 0.1267810395988478),34159,TRUE
NC(/C=C/C=O)(c1c(O)c(Cl)cc(Cl)c1Cl)C(C1CC1)n1nnc2cccc(Oc3nc4ccccc4c4ccccc34)c21,0.24, 0.07433010717498043),34173,TRUE
[H]c1ccc(OC(=O)C(=O)[C@H](C)N)c(Cl)c1Cl,0.24, 0.5120844745317377),34180,TRUE
C=C[C@@H]1C[C@H]1NC(=O)C(=O)[C@@H](N)Cc1cccc(OCC=O)c1O,0.24, 0.33517787748036465),34187,TRUE
C#CC[C@H](N)C(=O)N(C(=O)/C=C/C(C)(NCc1ccccc1)c1ccccc1)c1onc(C)c1[N+](=O)[O-],0.24, 0.18618398265888755),34194,TRUE
[H]C(CCC)[C@@H](C=O)Nc1c(C[C@H](N)C(=O)C=O)ccc2[nH]ccc12,0.24, 0.45644434574968445),34201,TRUE
NCCCC[C@@H](C=O)NC(/C=C/C(=O)Oc1nc2cc(CCC=O)ccc2c2ccccc12)Cc1ccc([SH](=O)=O)nc1,0.24, 0.04340790476017527),34208,TRUE
CC(Cc1c(C(Oc2ccc(C[C@@H](N)CC=O)cc2)C(N)/C=C/C=O)cc(O)c2c(=O)ccoc12)NS(=O)(=O)c1ccc(N)cc1,0.24, 0.07167097027904563),34215,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1oc2c(N[H])c(O)cc(O)c2c(=O)c1O,0.24, 0.15774551444514126),34222,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3ccc(Cl)cc3)cc12)Nc1nc2ccn(C)cc-2n1,0.24, 0.1423145310989536),34229,TRUE
CC(=O)n1cc(-c2ccccc2[N+](=O)[O-])c2cc(CC(N)/C=C/C=O)cc(Oc3nc4ccccc4c4ccccc34)c21,0.24, 0.06855845596836416),34236,TRUE
CC(N)/C=C/C(=O)Oc1nc2cc(-c3c(Cl)cccc3C(F)F)ccc2c2cccc(-c3cccc4[nH]c(C=O)cc34)c12,0.24, 0.08352540299173401),34250,TRUE
NC(=O)c1cc(C(Oc2ccccc2)[C@H](N)C(=O)C=O)c(Cl)s1,0.24, 0.5815440279115599),34257,TRUE
C=C[C@@H]1C[C@@]1(CC(=O)N(C(=O)/C=C/c1ccc2c(c1)OCO2)C(C)(/C=C/C=O)Nc1nc2ccn(C)cc-2n1)Nc1cccs1,0.24, 0.09568813912536724),34285,TRUE
N[C@@H](Cc1cc2nc[nH]c2cc1C([C@H](N)C(=O)c1nccs1)N1CCOCC1)C(=O)C=O,0.24, 0.2329570468927314),34299,TRUE
CC[C@@H](C)[C@@H](C=O)NC1(NC(O)(C(=O)NC(/C=C/C(=O)OCC(C)C)Cc2ccc(F)cc2)c2cc(F)c(F)cc2F)CC1,0.24, 0.05559500341885898),34306,TRUE
C[C@H]1COC(=O)C1(CCC=O)C[C@H](N)C(=O)C=O,0.24, 0.3779587270952235),34313,TRUE
CCN(C(C)=O)C(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1nnc2n1CCN(Cc1ccc(Cl)cc1)C2,0.24, 0.12308485289492781),34320,TRUE
Cc1onc(C(=O)N(C(=O)C(=O)[C@H](C)N)C2(N)CC2)c1Oc1nc2ccc(N3CCNCC3)cc2c2ccccc12,0.24, 0.1729152149298582),34327,TRUE
CC(/C=C/C(=O)Oc1nc2c(N3C[C@H]4CCC[C@H]4C3)cccc2c2ccccc12)NC(=O)C(=O)[C@H](C)N,0.24, 0.2208123515261275),34334,TRUE
CC[C@H](Nc1cc(N)c([N+](=O)[O-])cc1-c1cc(C(=N)N)ccc1NC(=O)C(=O)[C@H](C)N)C(=O)N1CCNCC1,0.24, 0.0554084428207999),34341,TRUE
CNC(C)(/C=C/C(=O)N[C@H](C=O)[C@H](C)O)NC(Oc1nc2ccccc2c2ccccc12)c1csc(N)n1,0.24, 0.08462551664496976),34348,TRUE
CCN(C[C@@H](O)C(c1nc2ccccc2c2ccccc12)[C@@H](C)C=O)C(C)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.07145306610770519),34355,TRUE
[H]Oc1cc(C[C@H](N)C(=O)C=O)c(CCC=O)c([H])c1O,0.24, 0.3588018675095528),34362,TRUE
[H]N[C@@H](Cc1ccc(C=O)s1)C(=O)C=O,0.24, 0.5571278703239332),34369,TRUE
[H]NC(=O)C(=O)[C@H](C[H])NC[C@H]1O[C@H](C)C[C@H]2CCCC[C@H]12,0.24, 0.737184041763386),34376,TRUE
Cc1noc(NC(C=O)(CCC(=O)O)NC(=O)/C=C/C(C)(N)Nc2ccc(Cl)c(-c3cccnn3)c2)c1[N+](=O)[O-],0.24, 0.06522525489521798),34383,TRUE
[H]NC(=O)C(=O)[C@H](C)NC([H])C(C)C,0.24, 0.5578998306917577),34390,TRUE
CC[C@H](C)Nc1cc2c(cc1CCC[C@H](N)C(=O)C(=O)N[C@@H](C)C(=O)C=O)OCO2,0.24, 0.3385464736633372),34397,TRUE
[H]NC(=O)/C=C/C(C)(N)N(Cc1ccccc1)[C@H](C(=O)N[C@@H](CCC)C(=O)C=O)[C@H](C)O,0.24, 0.14797447433603622),34404,TRUE
C[C@H](O)[C@H](N)C(=O)N1CCn2c(nnc2NC(C)(/C=C/C=O)c2c(Cl)cccc2N2CCNCC2)C1,0.24, 0.29077840848691816),34418,TRUE
Cc1noc(Nc2cn(C)cc3nc(N[C@@H](C)C(=O)C(=O)N[C@@H](C)[C@@H](O)C[C@H](C)N)nc2-3)c1[N+](=O)[O-],0.24, 0.13966062240601188),34425,TRUE
CC(/C=C/C(=O)N[C@H](C(=O)Oc1nc2ccccc2c2ccccc12)C(C)(C)C)NC(c1ccn(C)c1)c1c[nH]c2ccccc12,0.24, 0.09293015481987492),34432,TRUE
COc1cc(F)c(C[C@H](N)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)cc1CC(N)C(=O)C(F)(F)F,0.24, 0.13807238128579963),34446,TRUE
[H]OC(=O)C(=O)[C@@H](N)Cc1nc(C)c(-c2ccc3[nH]cnc3c2)s1,0.24, 0.609665380014812),34453,TRUE
CC[C@@H](C=O)Nc1cccc2c1c(OC(OC(=O)/C=C/C(C)NC[C@@H](O)[C@H](C)N)C(C)C)nc1ccccc12,0.24, 0.079433941642601),34467,TRUE
NC(=O)C(=O)[C@@H](N)C(c1cccnn1)c1c(F)cc(F)c(F)c1-c1ccccc1N,0.24, 0.3179843854693787),34474,TRUE
[H]c1cc(N(C(=O)C(=O)[C@H](C)N)C2CC2c2ccc3c(c2)OCO3)cnc1S(N)(=O)=O,0.24, 0.6161348962117875),34481,TRUE
CC(N)(/C=C/C(=O)O[Na])Oc1nc2cc(OC(C=O)OC[C@@H](N)C(=O)Oc3cncc(Br)c3)ccc2c2ccccc12,0.24, 0.05754210892493479),34488,TRUE
C[C@H](N)C(=O)C(=O)On1nnc2cccc(Oc3nc4cc(NS(=O)(=O)c5ccc(N)cc5)ccc4c4ccccc34)c21,0.24, 0.1008972492428058),34495,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc([C@@H]2C[C@H]3CCCC[C@@H]3CN2)c2c(Oc3nc4ccccc4c4ccccc34)c[nH]c2c1,0.24, 0.12850089222582994),34502,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(O[Na])ccc2c2ccccc12,0.24, 0.3381548576026569),34516,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N(C(=O)c1ccc(Cl)o1)C(=O)[C@@H](N)CO,0.24, 0.2203060317428457),34523,TRUE
CC[C@H](C)C1CCC2CNC(NC(C)/C=C/C(=O)N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)OCO4)CC2C1,0.24, 0.25472225931620657),34544,TRUE
CCCCC1[C@H]2[C@@H](CN1C(=O)[C@H](CC(C)C)C(=O)[C@H]([C@@H](C)O)N(C(=O)C(=O)[C@H](C)N)c1ccccc1)C2(C)C,0.24, 0.2908322353761999),34558,TRUE
CC(=O)[C@@H](N)CC1CC1S(=O)(=O)NC(=O)/C=C/C(C)(N)Oc1nc2cc(N[C@H](C(=O)[C@H](C=O)CO)[C@@H](C)O)ccc2c2ccccc12,0.24, 0.040464769788752956),34565,TRUE
[H]Oc1cc(-c2c(C[C@H](N)C(=O)C=O)cc(O)c(O)c2O)cc2ccn(C(C)=O)c12,0.24, 0.24470441282011354),34572,TRUE
[H]N(c1ccc2c(O)ccnc2c1C)c1cccc2nc(NC(=O)C(=O)[C@H](C)N)[nH]c12,0.24, 0.3214232220684011),34579,TRUE
CC1CCN(C[C@H](N)C(=O)C=O)CC1,0.24, 0.5022893696621568),34586,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)NC(=O)/C=C/C(C)(N)Nc1nc2ccc(C(C)(C)N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)cc2[nH]1,0.24, 0.10124102838508107),34593,TRUE
CC(N)/C=C/C(=O)Oc1nc2cc(-c3ccc4[nH]c(C=O)cc4c3)ccc2c2ccc(C3CC4CCCCC4CN3)cc12,0.24, 0.0874824238232613),34600,TRUE
[H]c1ccc(O)c(C)c1C[C@H](N)C(=O)C=O,0.24, 0.5507225116986991),34607,TRUE
C[C@H](N)C(=O)C(=O)Oc1ccccc1Sc1cccc(-c2cc(-c3ccccc3)c(C(=O)Cc3cccc4[nH]c(C=O)cc34)o2)c1,0.24, 0.05020264162895198),34614,TRUE
CCC(C[C@@H](C=O)NC(=O)C(=O)[C@H](C)NCc1cccc(C#N)c1)Oc1nc2ccccc2c2ccccc12,0.24, 0.16216507485031742),34621,TRUE
CC(C)C([C@H]1NC(CS(=O)C2=[SH]c3ncccc3N2)[C@@H]2CCC[C@H]12)[C@H](NC(=O)C(=O)[C@H](C)N)B(O)O,0.24, 0.09609983519429796),34628,TRUE
N[C@@H](Cc1cc(B(O)O)c(Cn2cc3c(c2-c2ccccc2/C=C/C=O)C(=O)C=CC3=O)c([N+](=O)[O-])c1)C(=O)C=O,0.24, 0.07506034283936434),34635,TRUE
CC(N)(/C=C/C(=O)Nc1cccc(Oc2nc3ccccc3c3ccccc23)c1)c1c(F)cc(F)cc1F,0.24, 0.18997935978689015),34649,TRUE
C[C@@H](O)[C@@H](N)CN[C@@H](CN1CCC(c2ccc(Cl)cc2)N(c2ccc(O)c(Cl)c2Cl)C1=O)C(=O)C=O,0.24, 0.2601721801162417),34656,TRUE
C[C@@H](OC(c1ccc(C=O)o1)n1nccc1C[C@H](NCc1ccc(Cl)c(O)c1)C(=O)C=O)[C@H](N)C=O,0.24, 0.21126450514614717),34663,TRUE
N[C@@H](Cc1cccc2cc(C[C@H](N)C(=O)C(F)(F)F)[nH]c12)C(=O)C=O,0.24, 0.5014942558817085),34670,TRUE
C[C@H](N)C(=O)C(=O)Nc1c(Nc2ccc(Cl)cc2)cc(C(=N)N)cc1-c1ccno1,0.24, 0.2202773046711752),34677,TRUE
CCCc1cc(N2CCC(C)CC2Nc2ccc(N)cc2)cc(F)c1C(C)(/C=C/C=O)NC(c1ccccn1)C(O)C(C)N,0.24, 0.09940323005201449),34684,TRUE
Cc1csc(CC(N)/C=C/C(=O)Oc2nc3c(-c4oc5cc(O)cc(O)c5c(=O)c4O)cccc3c3ccccc23)n1,0.24, 0.118256074945738),34691,TRUE
C[C@H](N)C(=O)C(=O)Oc1nc2cc(Oc3cccc(Cl)c3Cl)ccc2c2ccccc12,0.24, 0.24925802100578584),34698,TRUE
Cc1csc(C[C@H](NC(N2C[C@H]3CCCC[C@@H]3C[C@H]2C)C(C)(C)c2ccc3c(c2)nc(C)n3C)C(=O)C=O)n1,0.24, 0.2948450584850354),34705,TRUE
CCCc1cnc2c(C)cccc2c1C(NS(=O)(=O)c1ccc(N)cc1)[C@H](N)C(=O)C=O,0.24, 0.25516275710108227),34712,TRUE
C[C@H](N)C(=O)C(=O)Nc1nccc(CC2(N3CCC4CCCCC4C3)CCOC2=O)c1Cn1cc2c(c1)C(=O)C=CC2=O,0.24, 0.35018923677416997),34719,TRUE
N[C@@H](Cc1nc2ccccc2c2ccccc12)C(=O)C(=O)Oc1nc2cc(O)ccc2c2ccccc12,0.24, 0.20308525201602803),34726,TRUE
[H]N(C(=O)C(=O)[C@H](C)N)c1cc(-c2nc3ccccc3c3ccccc23)c2c(ccn2C(C)=O)c1,0.24, 0.3091272984769341),34733,TRUE
[H][C@H]1O[C@@H](Oc2ccc3c(c2)nc(OC(=O)C(=O)[C@H](C)N)c2ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.24087977629195978),34740,TRUE
C[C@@H](C=O)NC(=O)C(=O)[C@@H](N)Cc1cc(N2CCCC2)c(F)c(-c2cncc(Br)c2)c1Cl,0.24, 0.40541453971919633),34747,TRUE
Cc1cnc(C(=O)NC(C)(/C=C/C(=O)Oc2c(C)cccc2C)N[C@@H](C)C(=O)C(F)(F)F)c(-c2cccc(Cl)c2)n1,0.24, 0.14820570371662176),34761,TRUE
C[C@@H](O)[C@@H](C=O)Nc1c(CC(N)(N)C(=O)C(N)=O)cccc1C(=N)N,0.24, 0.08316206842839437),34768,TRUE
N[C@H](C(=O)C=O)C(Oc1nc2ccccc2c2ccc(-c3ccc(O)c(O)c3)cc12)c1ccccc1-c1cncs1,0.24, 0.09175677102295646),34775,TRUE
CC(N)(/C=C/C=O)c1c[nH]c2ccc(Oc3nc4cc(N5CC[C@@H]6CCCC[C@@H]6C5)ccc4c4ccc(NCC=O)cc34)cc12,0.24, 0.09288168244557214),34782,TRUE
Cc1noc(N(C(=O)/C=C/c2ccc(Cl)cc2F)C(=O)C(=O)[C@H](C)N)c1[N+](=O)[O-],0.24, 0.3205196986997083),34789,TRUE
CC(/C=C/C=O)(NCC(C)(C)C1CC2CCCCC2CN1)c1c(O)cccc1-c1ccc(Cl)cc1Cl,0.24, 0.2517676711513681),34796,TRUE
CC(N)(/C=C/C(=O)Oc1nc2cc(-c3nccs3)ccc2c2ccccc12)c1cccc(Cl)c1Cl,0.24, 0.1512542980525351),34803,TRUE
C[C@H]1O[C@@H](Oc2cc(-c3cccc(CC(N)/C=C/C(=O)On4nnc5ccccc54)c3)c(Cl)cc2Cl)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.17134455623880882),34810,TRUE
C[C@H]1O[C@@H](c2cc(Cl)cc(-c3cc(O)ccc3C[C@H](N)C(=O)C=O)c2Oc2nc3ccccc3c3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O,0.24, 0.09283794881051956),34817,TRUE
N[C@@H](CN1C(=O)N(C(=O)c2ccc3ccccc3n2)CCC1N[C@H](C=O)CO)C(=O)C=O,0.24, 0.3295428997959198),34824,TRUE
[H]C(Nc1[nH]c2c(O)ccc(C(=O)/C=C(\O)C(=O)O)c2c1C(C)(N)/C=C/C=O)(C(=O)C(C)=O)[C@@H](C)O,0.24, 0.07729719114004832),34831,TRUE
C[C@H](N)C(=O)C(=O)N1C(N[C@H](C=O)C(C)(C)C)COCC1c1c(O)c(Cl)cc(Cl)c1Cl,0.24, 0.3156173211982872),34838,TRUE
Cc1c(O)cccc1-c1cccc2c1c(OC(=O)C(=O)[C@H](C)N)nc1cc(N3CCCC3)cc([C@H]3NC[C@H]4[C@@H]3C4(C)C)c12,0.24, 0.15803258687420146),34845,TRUE
[H]C(=O)[C@@H](CC(C)C)NC(=O)C(=O)[C@H](C)NC(C)(C)C,0.24, 0.5356556167960946),34852,TRUE
N[C@H](C=O)c1c(F)c(F)cc(F)c1C[C@H](NC(=O)c1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)C=O,0.24, 0.18811026884157692),34859,TRUE
NC(/C=C/C(=O)O[C@H]1CCOC1)Cc1ccc2[nH]c(C(=O)On3nnc4cccc(Cn5cc6c(c5)C(=O)C=CC6=O)c43)cc2c1,0.24, 0.14170546531553513),34866,TRUE
N[C@H](C(=O)C=O)C(Oc1nc2ccccc2c2ccccc12)[C@H]1CN1c1ccccc1-c1ccccc1F,0.24, 0.13940499263063066),34873,TRUE
C[C@H](Nc1cc(F)ccc1C[C@H](N)C(=O)C=O)C(=O)c1nccs1,0.24, 0.42633489631944055),34880,TRUE
[H]N([H])C(=O)C(=O)[C@H](C)NCC(C)C,0.24, 0.5578998306917577),34887,TRUE
C[C@H](N)C(=O)N(C(=O)c1cc2cc(Cl)ccc2[nH]1)C(C)(/C=C/C=O)N[C@@H](C)C(=O)c1nccs1,0.24, 0.1771819470212504),34894,TRUE
C[C@@H](O)[C@H](NC(=O)/C=C/C(N)Cc1cc(O)c(O)c(O)c1)C(=O)Oc1nc2ccccc2c2ccccc12,0.24, 0.08869111176976553),34901,TRUE
C=C[C@@H]1C[C@@]1(CC(N)(/C=C/C=O)c1cccc2cc[nH]c12)Nc1ccc(Oc2c(C)cccc2C)cc1N,0.24, 0.08483903026111274),34908,TRUE
N[C@@H](Cc1cc(=O)c2c(O)cc(O)c(-c3ccc(-c4ccc(O)c(O)c4)c4ccccc34)c2o1)C(=O)C=O,0.24, 0.1293361103943999),34915,TRUE
CC[C@@H](C=O)N(C(=O)/C=C/C(N)CC1CCCCC1c1cccc2[nH]ccc12)C(=O)c1sccc1NC(C)(C)CC,0.24, 0.15854262033091487),34922,TRUE
CC(N)/C=C/C(=O)N(C(=O)C(Cl)=C(Cl)Cl)C1CCCCC1Oc1nc2ccccc2c2ccccc12,0.24, 0.29288833262375696),34929,TRUE
CCC([C@H](N)C(=O)C(=O)N[C@@H](C)[C@@H](O)C(NC1CCC(n2c(N)nc3ccccc32)C1)[C@H](C)N)N1CCn2cnnc2C1,0.24, 0.14932154154053875),34936,TRUE
C=C[C@@H]1C[C@]1(N)c1nc([SH](=O)=O)ccc1-c1cccc(Nc2cc(C[C@H](N)C(=O)C=O)c(Cl)cc2Cl)c1,0.24, 0.12719642997393857),34943,TRUE
CC(=O)[C@H](CCC(=O)Oc1nc2ccccc2c2ccccc12)NC(=O)/C=C/C(N)Cc1ccc(Cl)cc1,0.24, 0.17112569159105584),34950,TRUE
CC[C@H](C)c1cc(CN(CCC(=O)O)C(/C=C/C=O)Cc2cc(O)c3c(=O)ccoc3c2)ccc1Cl,0.24, 0.2504175723957051),34957,TRUE
COc1cc(F)ccc1C(c1c(C(=O)O)cnn1C)[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)C=O,0.24, 0.18044123864021194),34964,TRUE
CC1CCN(C(C=O)C[C@H](NC(=O)/C=C/C(C)(NCc2cccc(C#N)c2)Nc2ccccc2)C(=O)CF)CC1,0.24, 0.1875437047762374),34971,TRUE
CC(C)[C@H](N)[C@@H](O)C[C@H](C=O)Cc1cc(NC(=O)[C@@H](NC(=O)C(=O)[C@H](C)N)[C@H](C)O)c(Cl)cc1[N+](=O)[O-],0.24, 0.07989011392828771),34978,TRUE
C[C@H](N)C(=O)C(=O)N[C@@H](CCC=O)C(=O)C(F)Oc1nc2ccccc2c2ccccc12,0.24, 0.2808724736641056),34985,TRUE
[H]C(c1c(CN2C(=O)C(=O)c3cc(F)ccc32)ccc2cccc(-c3cccc4cc[nH]c34)c12)[C@H](N)C(=O)C=O,0.24, 0.24295699561580805),34992,TRUE
CC(/C=C/C(=O)N1C[C@H]2C(Oc3nc4ccccc4c4ccccc34)CC[C@H]2C1)NCc1ccc([N+](=O)[O-])cc1,0.24, 0.13535237657951707),34999,TRUE
C[C@@H](C(=O)C=O)N(Cc1ccc(Cl)cc1)c1ccc2[nH]c(C=O)cc2c1,0.01, 0.5084042237461579),23085,TRUE
C[C@@H](C(=O)C=O)N(C(=O)[C@@H](O)CC=O)c1nc2c(-c3cccc(O)c3)ccc(-c3cccnn3)c2c2ccccc12,0, 0.1597445063390042),27,TRUE
CC(=O)c1oc(C[C@@H](C=O)N[C@@H](Cc2nc(C)cs2)C(=O)C(=O)N[C@@H](C)C(C)=O)cc1-c1nc2ccn(C)cc-2n1,0, 0.13627823084993174),34,TRUE
CC(=O)c1oc(C(/C=C/C=O)(Cc2nnc(S)n2-c2ccccc2)NC(=O)c2cccs2)cc1Oc1cccc(Cl)c1Cl,0, 0.0674242718348599),69,TRUE
Cc1nc(NC(C)(/C=C/C=O)Nc2ccc(C(=N)NC(C)(C)C)cc2)c(N[C@H](C=O)C(C)c2ccccc2[N+](=O)[O-])s1,0, 0.031200210135674027),76,TRUE
CC(=O)Nc1c(Cl)ccc(N[C@H](C=O)[C@H](C)O)c1N[C@@H](C)C(=O)C(=O)Nc1ccccc1,0, 0.27132010583526733),83,TRUE
C[C@H](NC(=O)c1cc2c(-c3ccc(C(=O)O)c(O)c3Cc3ccc(C(=O)C(F)F)o3)cccc2[nH]1)C(=O)C=O,0, 0.1345299938977787),90,TRUE
CC(/C=C/C=O)NC(=O)/C(N)=C/c1ccc(-c2cc(N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)c(Cl)cc2Cl)o1,0, 0.22019288854930372),104,TRUE
CCCCc1c(C)c(N[C@@H](C)C(=O)C=O)c(C)c(Oc2ccccc2)c1[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0, 0.28894079107881876),118,TRUE
C[C@H](NC(=O)[C@@H](NC(C)(C)C)[C@@H](C)O)C(=O)C=O,0, 0.43646273020062154),146,TRUE
CC(/C=C/C=O)(NC(=O)C(Cl)=C(Cl)Cl)Oc1nc2cccc(-c3ccc([N+](=O)[O-])cc3)c2c2ccccc12,0, 0.06215954868686194),153,TRUE
CNC(=O)C(=O)[C@H](C)Nc1ccc(C(=O)CF)o1,0, 0.5727870262836336),160,TRUE
CC(=O)c1oc(C(C)(/C=C/C=O)N(c2cccc3[nH]c(C=O)cc23)C2CC2n2cc3c(c2)C(=O)C=CC3=O)cc1-c1ccccc1,0, 0.10631297367729307),195,TRUE
CC(/C=C/C=O)(Nc1ccc(/C=C/C=O)cc1)Nc1cc(Oc2nc3ccccc3c3ccccc23)c([N+](=O)[O-])cc1Cl,0, 0.03952834620975045),216,TRUE
CNC(=O)C(=O)[C@H](C)NC(=O)C(C)Nc1c(C)cc(N[C@H](C(=O)[C@H](C=O)CC(C)C)[C@@H](C)O)cc1C,0, 0.14515746336532248),230,TRUE
Cc1cnc(C(=O)N(c2ccc(C(=O)CF)o2)C(C)(/C=C/C=O)c2cc(B(O)O)cc([N+](=O)[O-])c2)cn1,0, 0.10130601973629656),244,TRUE
CCC(NC(=O)C(=O)[C@H](C)NC(=O)[C@@H](O)CC=O)N(C(=O)On1nnc2ccccc21)[C@@H](C)CCC=O,0, 0.1274657658044399),251,TRUE
C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)C(=O)N[C@H](C=O)C(C)(C)C,0, 0.44536676367591965),265,TRUE
CC(/C=C/C=O)(Nc1ccc(/C=C(\N)C=O)o1)Oc1cncc(Cl)c1Oc1cnccc1Oc1nc2ccccc2c2ccccc12,0, 0.05885581954665039),272,TRUE
Cc1c(-c2c(NC(C)(/C=C/C=O)Nc3ccccc3[N+](=O)[O-])cccc2-c2cccnn2)ccc(N[C@H](C(=O)[C@H](C=O)CO)[C@@H](C)O)c1O,0, 0.01872612655989011),279,TRUE
C[C@H](Nc1oc2c(-c3cc(O)c4c(=O)ccoc4c3)ccc(O)c2c(=O)c1O)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0, 0.1047197262531437),300,TRUE
CC(=O)NC(C)(/C=C/C=O)Oc1nc2ccccc2c2c(Oc3ccccc3Nc3ccccc3)cccc12,0, 0.09557518410382942),328,TRUE
CC(/C=C/C=O)Nc1cc(CS(=O)C2=[SH]c3nc(Oc4nc5ccccc5c5ccccc45)ccc3N2)cc(Cl)c1Cl,0, 0.052863970322092994),356,TRUE
C=C(CC)C(=O)c1c(C(=O)N[C@@H](C)C(=O)C(=O)N2CCCC2)[nH]c2c(N(C=O)c3c[nH]c4ccccc34)cc(F)cc12,0, 0.11116733919192219),377,TRUE
CCC(OC)c1cc(N)c(OC(O[C@H]2CO[C@H]3OCC[C@@H]23)C(N)=O)cc1C(C)(/C=C/C=O)NC(=O)CO,0, 0.12279360520842057),384,TRUE
C#CC(NCC=O)[C@@H](C=O)NC(C)(NC(=O)C(=O)[C@H](C)N)C(C)O,0, 0.1159942928374626),398,TRUE
C[C@H](Nc1ccc(Cl)cc1-c1oc2cc(O)cc(O)c2c(=O)c1O)C(=O)C(=O)Oc1nc2ccccc2c2cc(-c3nccs3)ccc12,0, 0.07738928545639616),405,TRUE
CC(c1ccc(/C=C/C=O)cc1)[C@H](C)NC(=O)C(=O)[C@H](C)NC(=O)NS(=O)(=O)c1ccc(N)cc1,0, 0.16690443272316258),426,TRUE
Cc1cnc(C(=O)N(c2ccc(Cl)cc2Cl)C(C)(/C=C/C=O)c2oc(=O)ccc2-c2ccccc2)cn1,0, 0.2124266585550168),433,TRUE
O=CC(=O)[C@H](Cc1cc(B(O)O)cc([N+](=O)[O-])c1)Nc1nc2cccc(-c3cccnc3)c2c2ccccc12,0, 0.06644036480483381),454,TRUE
C[C@H](NC(=O)C(c1cncs1)C(C)(C)OC(C=O)n1ccnn1)C(=O)C=O,0, 0.4495205614824749),461,TRUE
CC(/C=C/C(=O)Nc1ccc(C(=N)N)cc1)(NC(=O)/C=C/c1ccccc1)c1ccc(/C=C/C=O)cc1NC1CCCC1,0, 0.0807330548452593),475,TRUE
CC(=O)[C@H](CCC=O)N(c1ccc(N)cc1)C(CC=O)[C@H](NC(=O)C(=O)[C@H](C)NC(=O)CO)C(=O)CF,0, 0.1126757524401915),496,TRUE
C[C@H](NC(=O)[C@H](N)CO)C(=O)C(=O)O[Na],0, 0.3394723114783457),503,TRUE
Cc1nc2c(ccc(N[C@H](C(=O)N[C@@H](C)C(=O)C=O)[C@@H](C)O)c2)n1C,0, 0.49133108875810855),552,TRUE
C[C@@H](C(=O)C=O)N(C(=O)C(c1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(Cl)c1Cl)[C@H](O)C=O)c1cccnn1,0, 0.189321632535446),594,TRUE
C=C(CC)C(=O)c1cccc2nc(C(=O)N[C@@H](C)C(=O)C=O)c(N3CCCC3)cc12,0, 0.31282893106709964),608,TRUE
CNC(=O)C(=O)[C@H](C)NC(=O)/C=C/[C@H](C)NC(=O)c1ccco1,0, 0.4736816101596423),615,TRUE
CC(C)[C@H](Nc1c(O)c(N[C@H](C=O)CCC=O)c(O)c2c(=O)c(O)c(N(c3cccnc3)[C@@H](C)C(=O)C=O)oc12)C(=O)C[C@@H](C)C=O,0, 0.0575074853526936),629,TRUE
Cc1oc(=O)oc1C(c1ccn(C)n1)N(C(=O)/C=C/c1c(F)cc(Cl)cc1-c1ccc(/C=C/C=O)cc1)[C@@H](C)C(=O)C=O,0, 0.13607032643717235),678,TRUE
C[C@H](Nc1cc(Oc2nc3ccc(-c4ccc(CS(=O)C5=[SH]c6ncccc6N5)s4)cc3c3ccccc23)cc2[nH]ccc12)C(=O)C=O,0, 0.04008110980342281),685,TRUE
CCCC[C@@H](C=O)NC1CC1(C)S(=O)(=O)NC(=O)C(=O)[C@H](C)NC(=O)CC[C@H](N)C(=O)C(F)(F)F,0, 0.16268177924826208),692,TRUE
CC(=O)N(c1ccc(N(C)C)nn1)C(C)(/C=C/C=O)Nc1c(O)c(Cl)c(-c2cccnc2)c(Cl)c1Cl,0, 0.12953662963150217),741,TRUE
CC[C@@H](C=O)Nc1cc(/C=C/C=O)cc(-c2cccc3ccccc23)c1-c1ccc(N[C@@H](C)C(=O)C=O)c(-c2cccc(C)c2)c1,0, 0.07934409270230947),762,TRUE
CNc1c(N[C@@H](Cc2cncc(-c3ccc(C(=O)CF)o3)c2)C(=O)C=O)sc2ccccc12,0, 0.20139220000297522),769,TRUE
C[C@H](Nc1ncccc1Oc1nc2cccc(-c3ccccc3)c2c2c(Sc3ncccn3)cccc12)C(=O)C(N)=O,0, 0.12084402124670626),790,TRUE
N[C@@H](Cn1cc(OCC=O)nn1)C(=O)C=O,0, 0.4196730045448541),797,TRUE
CC(C)[C@H](Nc1cc2ccccc2s1)[C@@H](O)C[C@@H](C)C(=O)NC(C)(/C=C/C=O)Oc1nc2ccccc2c2ccccc12,0, 0.06161760896757559),825,TRUE
Cc1c(N[C@@H](C)C(=O)C(=O)N2C[C@H]3CC(c4ccnc(S)n4)C[C@H]3C2)cc(Nc2ccccc2)c2cccnc12,0, 0.16065048402929766),839,TRUE
CNc1cccc2nc(OC(C)(/C=C/C=O)NC(=O)c3cc(C)on3)c3ccc(OC(C)Cc4coc5cc(O)cc(O)c5c4=O)cc3c12,0, 0.058782052426862366),846,TRUE
C[C@@H](C(=O)C(=O)NC(C)(C)C)N(c1ccnc(S)n1)c1ccccc1CN1C(=O)C(=O)c2cc(F)ccc21,0, 0.2698611905301097),888,TRUE
Cc1ccc(C(C(=O)NC(C)(/C=C/C=O)Oc2nc3cccc(N[C@H](C=O)[C@@H](C)O)c3c3ccccc23)C2CC2)cc1,0, 0.09334768296225572),930,TRUE
CC(=O)n1ccc2cc(NC(=O)C(C)(C)Oc3ccc4c(c(OC(=O)C(=O)[C@H](C)Nc5ccn(C)c5)nc5ccccc54)c3N)ccc21,0, 0.07756313897532173),958,TRUE
CCC(c1nc(C=Nc2ccccc2)c(O)o1)c1c(Cl)sc(C(=O)NC(C)/C=C/C=O)c1N[C@H](C=O)CO,0, 0.13794812442974352),965,TRUE
CC(/C=C/C=O)N(C(=O)c1cc2cc(Cl)ccc2[nH]1)c1cc(=O)c2c(O)cc(-c3c[nH]nn3)cc2o1,0, 0.23224226215919408),979,TRUE
Cc1ccc(-c2ccc(-c3ccc4oc(N(C(=O)/C=C/c5ccc(Cl)cc5F)[C@@H](C)C(=O)C=O)cc(=O)c4c3O)c3cc(C=O)[nH]c23)cc1,0, 0.09227598113580755),986,TRUE
C[C@H](Nc1c(Oc2ccc(O)cc2[C@@H]2C[C@H]3CCCC[C@@H]3[C@@H](C)O2)cccc1-c1c[nH]c2ccccc12)C(=O)C=O,0, 0.1540667290339934),1000,TRUE
C[C@@H](O)C[C@H](C=O)Cc1oc2cc(O)cc(O)c2c(=O)c1C(C)(/C=C/C=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1,0, 0.10974727375085987),1014,TRUE
CNC(=O)C(=O)[C@H](C)Nc1c(Cl)c(Cl)c(O)c(-c2c(C)cccc2C)c1-c1ccc(/C=C/C=O)cc1,0, 0.14566816144739791),1049,TRUE
O=C(O)C(=O)[C@H](Cc1nnc2n1CCNC2)NS(=O)(=O)c1cc(Sc2ncccn2)ccn1,0, 0.25265430994317783),1056,TRUE
CC(C)[C@@H](C=O)c1cccc2c1c(OC1(c3c(Cl)cccc3N[C@@H](C)C(=O)C=O)CCOC1=O)nc1ccccc12,0, 0.11029253358532741),1070,TRUE
C[C@H](Nc1c(F)cc(F)cc1F)C(=O)C(=O)Nc1cccc(Oc2ccccc2)c1Cl,0, 0.46442376435597355),1077,TRUE
C[C@H](Nc1ccc(/C=C(\N)C=O)o1)C(=O)C(=O)NS(=O)(=O)c1ccccn1,0, 0.3199382547145978),1084,TRUE
CC(=O)N(C(=O)/C=C/c1ccccc1)C(/C=C/C=O)(Cc1ccc(O)c(O)c1)Oc1nc2ccccc2c2ccccc12,0, 0.0735834246691985),1126,TRUE
C[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)C(=O)Oc1cccnc1N)C(Oc1nc2ccccc2c2ccccc12)[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](C)O1,0, 0.11051024477093882),1133,TRUE
CCCC(Oc1nc2ccccc2c2ccccc12)c1cccc2cc(-c3ccc(C)nn3)c(C(=O)N[C@@H](C)C(=O)C=O)nc12,0, 0.10770704100728154),1147,TRUE
C[C@H](Nc1c(N[C@@H](C)C(=O)C(F)(F)F)oc2cc(O)cc(O)c2c1=O)C(=O)C=O,0, 0.3912186542501537),1175,TRUE
C[C@@H](C=O)Nc1ccc2c(c1)nc(OC(C)(/C=C/C=O)Nc1oc3cc(O)cc(O)c3c(=O)c1O)c1ccccc12,0, 0.07464105577383355),1189,TRUE
CC(/C=C/C=O)(c1ccccc1O[C@H]1CO[C@H]2OCC[C@@H]12)N(C(N)=O)C(=O)Cc1ccc2cc[nH]c2c1,0, 0.3585857880054311),1210,TRUE
CC(=O)c1ccc(N(C(=O)c2ccc(-c3cc(N[C@H](C(=O)[C@H](C=O)CC(C)C)[C@@H](C)O)cs3)o2)[C@@H](C)C(=O)C=O)o1,0, 0.11447019866155378),1217,TRUE
C[C@@H](CCC=O)Nc1cccc2nc(OC(C)(/C=C/C=O)NC(=O)c3sccc3-c3ccco3)c3ccccc3c12,0, 0.07408248242832709),1224,TRUE
C[C@H](Nc1cccc(Nc2ccccc2Oc2nc3ccccc3c3cc(-c4cc(F)c(F)cc4F)ccc23)c1Cl)C(=O)C=O,0, 0.07214990251317144),1231,TRUE
Cc1noc(NC(=O)C(=O)[C@H](C)Nc2ccc3[nH]cnc3c2)c1[N+](=O)[O-],0, 0.3417696960713694),1238,TRUE
N#Cc1cnc(Sc2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)C=O)o2)[nH]c1=O,0, 0.26591981187341907),1280,TRUE
Cc1csc(NC(C)(/C=C/C=O)c2oc3c(-c4cc(=O)c5c(O)cccc5o4)c(O)cc(O)c3c(=O)c2O)n1,0, 0.15106389967189254),1294,TRUE
CC(C[C@@H](Nc1ccno1)C(=O)N[C@@H](C)C(=O)C=O)C(Oc1ccccc1)c1oc2cc(O)cc(O)c2c(=O)c1O,0, 0.12435533060162592),1301,TRUE
Cc1ccccc1NC(C)(/C=C/C=O)Oc1nc2cccc(N[C@@H](C)C(=O)c3nccs3)c2c2ccccc12,0, 0.06666054830891803),1329,TRUE
Cc1c(O)cccc1C(C)c1ccccc1C(C)(/C=C/C(=O)N1CCC(C)CC1)NC(=O)c1cccs1,0, 0.3584275579341847),1336,TRUE
CSC(C)(/C=C/C=O)NC(=O)c1[nH]c2c(Nc3ccc(Cl)cc3)cccc2c1NS(=O)(=O)c1ccc(N)cc1,0, 0.07153487341047388),1350,TRUE
CC(=O)n1ccc2c(CC=O)c(N[C@@H](C)C(=O)C(=O)NS(=O)(=O)C3CC3c3ccccc3NC(C)C(=O)C(F)(F)F)ccc21,0, 0.2005574711829454),1364,TRUE
Cc1cnc(C(=O)NC(C)(/C=C/C=O)c2nc(C)c(Oc3nc4ccccc4c4ccccc34)s2)cn1,0, 0.1767266962481512),1371,TRUE
CC(C)(OC(C)(/C=C/C=O)N(C(=O)CC[C@H](Nc1ccc(C(=O)CF)o1)C(=O)C(F)NC=O)c1ccnc(S)n1)C(N)=O,0, 0.035552361151374515),1392,TRUE
Cn1cc(CN(C(=O)c2ccco2)C(/C=C/C=O)(Cc2cccc3[nH]ccc23)c2ccc3cc[nH]c3c2)c(OCC=O)c1,0, 0.14395564647163162),1441,TRUE
C[C@H](N)C(=O)C=O,0, 0.36200628676957597),1462,TRUE
CC(/C=C/C=O)(NC(=O)c1cc2c(O)cccc2[nH]1)Oc1nc2c(-n3[nH]c(=O)c4ccccc4c3=O)cccc2c2ccccc12,0, 0.08680699186760268),1490,TRUE
Cc1noc(NC(=O)C(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)c1[N+](=O)[O-],0, 0.26200939787816435),1511,TRUE
CC(C)CC(=O)NC(/C=C/C=O)(Cc1ccn(C)n1)c1ccc2cc(-c3cncc(-c4oc5cccc(O)c5c(=O)c4O)c3)[nH]c2c1,0, 0.11370661801116361),1616,TRUE
O=C/C=C/C(Cc1ccc(C=O)o1)(NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1-c1cc2ccccc2s1,0, 0.0751395734076065),1644,TRUE
C[C@H](NC(=O)C(=O)[C@@H](N)Cc1nnc2CNCCn21)C(=O)c1nc(O)cs1,0, 0.3190199038398471),1707,TRUE
CC1C(=O)OC[C@@H]1C(C)(/C=C/C=O)NC(=O)c1cc2cc(Cl)cc(Oc3nc4ccccc4c4ccccc34)c2[nH]1,0, 0.1023233224521788),1714,TRUE
CC[C@H](C)c1nc(C(=O)N[C@@H](C)C(=O)C=O)cnc1Cc1csc(C)n1,0, 0.5614708471701484),1868,TRUE
Cc1cc(C(=O)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2Oc2ccc(-c3cccc(Cl)c3)cc2)C(C)/C=C/C=O)no1,0, 0.08553800033526637),2071,TRUE
CSC(C(=O)NC(CNC(C)/C=C/C=O)C(C)(O)c1cn(C)cc1-c1ccc(C=O)o1)[C@H](O)C=O,0, 0.21597849948549422),2169,TRUE
CC(O)C(N)CN[C@@H](C)C(=O)C=O,0, 0.3461449555305594),2190,TRUE
C[C@H](NC(=O)[C@@H](N)CC(C)(C)c1nn(C)cc1)C(=O)C=O,0, 0.5295655290490324),2253,TRUE
CC[C@H](Nc1ccc2nc(OC(=O)/C=C/C(C)NC(=O)C(C)C)c3ccccc3c2c1)C(=O)NS(=O)(=O)C1CC1,0, 0.18062648874215037),2274,TRUE
C[C@@H](CC(N)C(=O)N[C@@H](C)C(=O)C(=O)N[C@H](C=O)CCCC=O)NCCCN,0, 0.11426593338098555),2309,TRUE
[H]NC(F)(F)c1nc(-c2ccc(C(=O)C(O)F)o2)c(C[C@H](N)C(=O)C=O)cc1Br,0, 0.2285893703298859),2316,TRUE
CCC(C)(C)NC(F)C(=O)[C@H](CCC=O)Nc1nc([SH](=O)=O)c(-c2c[nH]cn2)cc1C(C)(N)/C=C/C=O,0, 0.09752733168103189),2379,TRUE
CC(=O)N(C(=O)Oc1cccc2[nH]c(C=O)cc12)C(/C=C/C(=O)N[C@@H](C)[C@@H](C)O)Cc1ccc(Cl)cc1,0, 0.28556236881756475),2393,TRUE
CC(=O)[C@H](CCC=O)NC(=O)C(=O)[C@H](CC1(N)CC1)NC(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O,0, 0.08254683570646923),2400,TRUE
CC[C@@H](C=O)NC(NC(C)/C=C/C=O)c1csc(NC(=O)c2noc(C)c2N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)n1,0, 0.10114732232078928),2554,TRUE
CCCc1cc([N+](=O)[O-])ccc1/C=C/C(=O)NC(C)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0, 0.09843065938275976),2603,TRUE
O=C/C=C/C(Cc1cccs1)(NC(=O)c1cncc(Sc2ccccc2)n1)Oc1nc2ccccc2c2ccccc12,0, 0.08057221749614883),2701,TRUE
Cc1csc(-c2cc(/C=C/C=O)c(CC(=O)c3ccco3)c(CC(/C=C/C=O)NC(=O)c3ccc4ccccc4n3)c2)n1,0, 0.10779642159363835),2708,TRUE
C=C[C@@H]1C(O)[C@@]1(C[C@H](N)C(=O)C=O)Nc1ccc(NCC=O)c(=O)o1,0, 0.23818007611711972),2736,TRUE
CC(/C=C/C=O)(NC(=O)c1cnccn1)c1c(O)c(Cl)c(-c2cccc3cc[nH]c23)c(Cl)c1Cl,0, 0.1736121450355373),2820,TRUE
C[C@@H](C=O)Nc1ccncc1CN[C@@H](C)C(=O)C=O,0, 0.5187570132919201),2834,TRUE
Cc1ccccc1N(C(=O)/C=C/c1ccc2c(c1)OCO2)C(/C=C/C=O)Cc1nc(C)c(Sc2ccccc2)s1,0, 0.1508221740917011),2883,TRUE
CC(=O)N(C(=O)/C(N)=C/c1ccco1)C(Oc1nc2ccccc2c2ccccc12)C(=O)NC(C)/C=C/C=O,0, 0.14624183681844707),2897,TRUE
CC(/C=C/C=O)(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(O)c1Cc1ccc(Br)cc1,0, 0.19162642714673506),2925,TRUE
CC(=O)n1ccc2cc(C(C)(/C=C/C=O)NC(=O)Cc3cc(F)c(F)c(-c4ccccc4)c3F)ccc21,0, 0.1990531917157837),2953,TRUE
CC(=O)N(C(C)=O)C(C)(/C=C/C(=O)Oc1cccc(Cl)c1Cl)Oc1nc2ccccc2c2ccccc12,0, 0.09376066592563294),3037,TRUE
C[C@H](N)C(=O)C(=O)Oc1cnc(OCC=O)c(Cl)c1,0, 0.44969989773144176),3100,TRUE
CC(CC(=O)N(C(=O)c1cc2ccccc2[nH]1)C(C)/C=C/C=O)Cc1nnc(-n2ccnn2)cc1N[C@@H](C)C=O,0, 0.20292889860728316),3107,TRUE
C[C@H](NC(=O)/C=C/c1ccc2c(c1)OC(c1ccc(Br)c(Oc3nc4ccccc4c4ccccc34)c1)O2)C(=O)C=O,0, 0.08884452229446306),3121,TRUE
CC(C)COC(=O)C(=O)[C@H](C)NC(=O)/C=C/c1ccccc1N1C[C@H]2[C@@H](C1)C2(C)C,0, 0.4034721808599947),3128,TRUE
CCCC[C@@H](C=O)NC(C)(C)N[C@@H](C)C(=O)C=O,0, 0.3436535259679663),3296,TRUE
C[C@H](NC(=O)/C=C/c1c(F)cc(Cl)c(NC2CCCCC2)c1-c1cncc(Br)c1)C(=O)C=O,0, 0.27031712478466624),3338,TRUE
C[C@H](NC(N)=O)C(=O)C(=O)Oc1nc2c(-c3ccccc3F)cccc2c2cc(Nc3ccc(-c4ccccc4)cc3)ccc12,0, 0.09725901158356717),3457,TRUE
O=C/C=C/C(Cc1c[nH]c2ccccc12)N(C(=O)/C=C/c1ccccc1)C(=O)c1cc2c(O)cccc2[nH]1,0, 0.19460922555502588),3583,TRUE
CC(/C=C/C=O)(NC=O)Oc1nc2ccc(-c3ccc(-c4cncs4)cc3)cc2c2cc(-c3ccoc(=O)c3)ccc12,0, 0.09226613587982335),3611,TRUE
CC(C)COC(C)(/C=C/C=O)NC(=O)/C(N)=C/c1cc(Nc2ccc(C(=N)N)cc2)c(Oc2nc3ccccc3c3ccccc23)o1,0, 0.02465446886254916),3639,TRUE
C[C@@H](C(=O)C(=O)Oc1cccc2[nH]c(C=O)c(O)c12)N(C(=O)/C=C/c1ccc2c(c1)OCO2)C(C)(C)C,0, 0.16311091514877338),3646,TRUE
CC(C)(C)c1cc(CC(/C=C/C=O)N(CC=O)C(=O)c2cc3cc(F)ccc3[nH]2)cc2cc(-c3c[nH]c4ccccc34)[nH]c12,0, 0.12255728278030058),3653,TRUE
CC(C)CC(=O)N(C(=O)[C@@H](O)CC(=O)Nc1ccc(C(=N)N)cc1)C(/C=C/C=O)Cc1cccc(Cl)c1,0, 0.14414261680327306),3688,TRUE
CC(/C=C/C=O)NC(=O)c1cc(Oc2nc3ccccc3c3cccc(NS(=O)(=O)C4(C)CC4)c23)c(Cl)o1,0, 0.15688352222073948),3709,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N(C(=O)c1ccc(Cl)s1)c1nc(C=Nc2ccccc2)c(O)o1,0, 0.07978064467684533),3800,TRUE
Cc1cc(C(=O)NC(C)(/C=C/C=O)c2cnc(S(N)(=O)=O)c(N[C@H]3c4ccc(-c5ccccc5)cc4C[C@H]3O)c2)no1,0, 0.16911713261676517),3898,TRUE
CC(=O)C(=O)C(N)[C@@H](C)O,0, 0.49138623776626017),3947,TRUE
CCN([C@@H](C)C(=O)C=O)C(C)(C)C,0, 0.48860027164919284),4073,TRUE
CC(=O)N(C(=O)c1cnc(C)cn1)C(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)c1cccc(O)c1,0, 0.17390218803842755),4094,TRUE
CC(/C=C/C=O)(Oc1nc2ccccc2c2ccccc12)N(C(=O)c1cnccn1)c1cc(=O)c2c(O)cc(O)cc2o1,0, 0.11643077659562931),4115,TRUE
CSC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N(C(=O)/C(N)=C/c1ccco1)c1ccn(C)n1,0, 0.1192847775829166),4269,TRUE
CC(=O)NC(C)(/C=C/C(=O)Oc1nc2c(N3C[C@H]4CCC[C@H]4C3)cccc2c2ccccc12)OCC(N)=O,0, 0.20342059315344913),4276,TRUE
CC(=O)[C@H](C)N(C(=O)/C=C/C(C)(NCC(N[C@@H](C)C=O)C(=O)O)OC(O[Na])C(N)=O)C(=O)CCCCCN,0, 0.03740567491961957),4409,TRUE
Cc1cnc(C(=O)NC(C)(/C=C/C(=O)N[C@H]2c3ccccc3C[C@H]2O)Oc2cncc(Cl)c2)c(C2CCC2)n1,0, 0.2876859318349013),4465,TRUE
CC(/C=C/C=O)NC(=O)c1noc(Cc2cccc3[nH]c(C=O)cc23)c1-c1coc2cc(O)cc(O)c2c1=O,0, 0.17338570478012147),4528,TRUE
Cc1c(CC(/C=C/C=O)NC(=O)c2ccco2)cc(Nc2ccc(Cl)cc2)c(Oc2nc3ccccc3c3ccccc23)c1O,0, 0.080485986574928),4591,TRUE
CC(C)CC(=O)NC(C)(/C=C/C=O)c1c(CN2C(=O)C(=O)c3cc(C#N)ccc32)c(-c2nc(S)[nH]c(=O)c2C#N)nn1C,0, 0.10859569712037256),4703,TRUE
CCC(C)(C)NC(=O)C(=O)[C@H](C)NCc1csc(N)n1,0, 0.654413963197006),4871,TRUE
NC(=O)CC[C@H](NC(=O)/C=C/C(N)(Cc1nc2c[nH]cc(C(=O)O)c-2n1)c1c[nH]c(-c2cncc(Br)c2)n1)C(=O)C(F)(F)F,0, 0.11923389245369773),4962,TRUE
CC[C@@H](C)[C@@H](C=O)Nc1cc(-c2csc(C(=O)[C@H](C)NC(C)(N)/C=C/C(=O)N(C)C)n2)oc1C=O,0, 0.16233960622776192),4983,TRUE
CC[C@@H](C(=O)O)N(C(=O)c1ccc(Cl)s1)C(C)(/C=C/C=O)N(C(=O)c1sccc1C=O)C(C)(C)C,0, 0.25884336990481416),5060,TRUE
CC[C@@H](C=O)Nc1cc2nc(N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)nc-2cn1-c1cccnc1C[C@H](N)C(=O)C=O,0, 0.1503661998499892),5102,TRUE
Cc1cccc(CC(/C=C/C(=O)Oc2c(C)cccc2C)NC(=O)c2cc3cc(Cl)cc(OCC=O)c3[nH]2)c1,0, 0.11329482461397239),5109,TRUE
CC(C)COc1c(F)c(F)cc(F)c1C(/C=C/C=O)(NC(=O)c1ccc(Cl)o1)C(c1cc(O)c2c(=O)ccoc2c1)n1ccnn1,0, 0.1073565388419003),5123,TRUE
CNc1coc(-c2cc(CC(/C=C/C=O)N(C(=O)CCCCCNC(=O)c3ccc(Cl)s3)C(C)C)cc([N+](=O)[O-])c2)c1,0, 0.0617494267101299),5172,TRUE
CC(/C=C/C=O)(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Oc1nc2ccccc2c2c(C(=O)O)cccc12,0, 0.08219675397237547),5270,TRUE
Cc1nc(C(C)(/C=C/C(=O)N[C@H]2c3ccccc3C[C@H]2O)NC(=O)c2cc3ccccc3[nH]2)sc1Cn1cc2c(c1)C(=O)C=CC2=O,0, 0.18020347481283333),5417,TRUE
Cc1ccc(N(C(=O)c2cc3cc(Cl)ccc3[nH]2)C(/C=C/C=O)C(c2ccc(C=O)o2)C2CCCCC2)cc1,0, 0.17361828364569756),5662,TRUE
CC(=O)NC(C)(/C=C/C(=O)N[C@H](C=O)[C@@H](C)O)c1ccc(C(=O)Oc2nc3ccccc3c3ccccc23)o1,0, 0.12962182900939936),5753,TRUE
CC(/C=C/C=O)NCc1cncc(NC(Cn2ccc3ncnc-3c2)C(=O)C(N)=O)c1,0, 0.23114255072467657),6124,TRUE
CC(C)(CN(Cc1csc(N)n1)C(C)(/C=C/C=O)c1ncsc1CC(=O)c1ccco1)Sc1ncc(C#N)c(=O)[nH]1,0, 0.07313829818952207),6173,TRUE
O=C/C=C/C(Cc1ccc2cc(-c3cccc(Cl)c3-c3ccccc3)[nH]c2c1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1,0, 0.07753303603295121),6334,TRUE
Cc1oc(=O)oc1CN(C1CCC(NC(C)C=O)C1NC(=O)C(=O)[C@H](C)N)[C@@H](C)C(=O)c1nccs1,0, 0.19707184590683272),6565,TRUE
CC[C@@H](C(=O)O)N(C(C)/C=C/C=O)S(=O)(=O)c1nccc(Oc2nc3ccccc3c3ccccc23)c1-n1cc2c(c1)C(=O)C=CC2=O,0, 0.11125519412490882),6796,TRUE
C[C@H](NC=O)C(=O)C(=O)N(C(=O)c1cc2c(O)c(O)ccc2[nH]1)[C@H](C=O)[C@@H](C)O,0, 0.21519400824272353),6803,TRUE
CC(/C=C/C=O)(NC(=O)c1cccs1)OC(C=O)(c1ccc(N)cc1)c1coc2cc(O)cc(O)c2c1=O,0, 0.10897698595654601),7048,TRUE
CC(/C=C/C(=O)N[C@@H](CC(Oc1cccc(Cl)c1Cl)C(N)=O)C(=O)C(F)(F)F)NC(=O)[C@@H](NC=O)[C@@H](C)O,0, 0.15836576124185248),7097,TRUE
CCC(=O)N(C(C)/C=C/C=O)C(C(=O)Oc1nc2ccccc2c2ccccc12)c1ccc(C=O)s1,0, 0.1341522408605491),7104,TRUE
C[C@H](NC(=O)c1cc2cc(F)c(Oc3nc4cccc(C5CCC5)c4c4ccccc34)cc2[nH]1)C(=O)C=O,0, 0.1603002317130454),7132,TRUE
C[C@@H](C(=O)Oc1nc2ccccc2c2ccccc12)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)C(=O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0, 0.05460777587910944),7146,TRUE
Cc1noc(C)c1CCCc1ncc(OC(C)(/C=C/C=O)NC(=O)C(C)Cc2cccnn2)cc1C[C@H](N)CCC=O,0, 0.13835174496667269),7405,TRUE
CCC(=O)N(C(=O)/C=C/C(Cc1ccon1)(NC(=O)c1ccco1)Oc1nc2ccccc2c2ccccc12)S(=O)(=O)C1CC1,0, 0.12494473004597703),7475,TRUE
Cc1cccc2c(OC(=O)C(=O)[C@H](Cc3ccon3)NC(=O)CC(C)Cc3cccc4[nH]ccc34)ccnc12,0, 0.20362497268571242),7517,TRUE
CC(/C=C/C=O)N(C(=O)c1cc2c(O)ccc(Oc3nc4ccccc4c4ccccc34)c2[nH]1)C(=O)c1ccc(-c2ccno2)o1,0, 0.07962986900870753),7601,TRUE
CC(/C=C/C=O)NC(=O)/C=C/c1ccccc1C1CCC(Oc2nc3ccccc3c3c(-c4cc(=O)c5c(O)cc(O)cc5o4)cccc23)C1,0, 0.08165010497616192),7615,TRUE
Cc1nc(C(C)C(=O)NC(C)(/C=C/C=O)Oc2cccc3[nH]c(C=O)c(-c4csc(-n5cc6c(c5)C(=O)C=CC6=O)n4)c23)cs1,0, 0.11761000709564622),7699,TRUE
CC(=O)NC(=O)N([C@@H](CCC(=O)O)C(=O)C(F)(F)F)C(C)(N)/C=C/C(=O)N(c1nc(S)[nH]c(=O)c1C#N)[C@@H](C)[C@@H](C)O,0, 0.08451567929931189),7748,TRUE
CC[C@@H](C)[C@@H](C=O)N(c1cncc(Br)c1)C(C)(/C=C/C=O)NC(=O)c1cc2cc(Cl)ccc2[nH]1,0, 0.20476791595718685),7776,TRUE
CCC(=O)NC(C)/C=C/C(=O)Oc1nc2ccccc2c2cccc(Nc3ccc([N+](=O)[O-])cc3Cl)c12,0, 0.09530434027276778),7853,TRUE
CC(/C=C/C=O)NC(=O)c1[nH]c2ccc(Cl)cc2c1N1CCC(C)C(N/C(C=O)=C\c2ccco2)C1,0, 0.29313488674237337),7895,TRUE
CCc1sc(N(C(=O)Cc2nc(C)cs2)C(C)/C=C/C(=O)N(C(=O)CO)[C@H](C=O)CC)nc1C,0, 0.3672971930348178),7944,TRUE
CC(/C=C/C=O)(Oc1ccc(O)cc1)N(C(=O)/C=C/c1ccccc1)c1nnccc1C(=O)/C=C(\O)C(=O)O,0, 0.10993947136846131),7958,TRUE
Cc1cc(C(=O)NC(C)(/C=C/C=O)c2nn(C)cc2CCC(Cc2ccccc2)Oc2cncc(Cl)c2)no1,0, 0.20035744748729145),8077,TRUE
Cc1nc(-c2c(Cl)cc(NS(=O)(=O)c3ccc(N)cc3)c3[nH]c(C(=O)N[C@@H](C)C(=O)C=O)cc23)cs1,0, 0.1492922582641985),8119,TRUE
CC(N)(/C=C/C(=O)NC(C=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)Nc1ccccn1,0, 0.06736342948333503),8140,TRUE
CC(/C=C/C=O)(NC(=O)c1cc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2[nH]1)Oc1nc2ccccc2c2ccccc12,0, 0.08390013000851515),8147,TRUE
Cn1ccc(CC(C)(C)c2cc(O)ccc2OC(C)(/C=C/C=O)N(c2ccoc(=O)c2)S(=O)(=O)c2ccccn2)c1,0, 0.1581749384264992),8350,TRUE
CC1C(=O)OC[C@@H]1C[C@H](Nc1cccnc1NC1CC1)C(=O)C=O,0, 0.42203481078995503),8371,TRUE
CNC(=O)N(CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(=O)[C@H](C)N[C@@H]1NC1c1cncc(Br)c1,0, 0.11895746323377876),8399,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2cc(-c3ccc([N+](=O)[O-])cc3)ccc12)NC(=O)c1ccc(Cl)o1,0, 0.08201509092666438),8406,TRUE
CC(=O)NC(C)(/C=C/C=O)c1cc(Oc2nc3ccccc3c3cc(-c4ccc(C)c(Oc5ccccc5)c4)ccc23)no1,0, 0.10434099127156712),8504,TRUE
CC/C=C/C(=O)N(C(=O)C(=O)[C@H](C)N)[C@@H](C)C(=O)c1nc(N[C@@H](CCC=O)C(=O)CF)cs1,0, 0.1723058502391223),8665,TRUE
CCCNc1cc([SH](=O)=O)ncc1CC(C)CC(=O)N(C(=O)C(Cl)=C(Cl)Cl)C(C)/C=C/C=O,0, 0.23615162393387729),8714,TRUE
O=C(/C=C/C(Cc1cccnc1-c1c[nH]c2ccccc12)NC(=O)c1cccs1)Oc1nc2ccccc2c2ccccc12,0, 0.10792755280222154),8749,TRUE
CCN(c1ccccc1)[C@H](CC(C)C)C(=O)NC(C)(/C=C/C=O)Oc1nc2ccccc2c2ccccc12,0, 0.11125703953885578),8819,TRUE
C[C@@H](C(=O)C=O)N(C(=O)[C@@H](N)C(C)(C)N[C@@H](CCC=O)C(=O)CF)S(=O)(=O)c1cccc(-c2ccoc(=O)c2)n1,0, 0.21031566940446178),8952,TRUE
CC(=O)NC(C)/C=C/C(=O)Oc1nc2ccccc2c2c(-c3ccc(Br)c(-c4cccs4)c3)cccc12,0, 0.13000068170510573),9022,TRUE
CC(/C=C/C=O)(NC(=O)/C=C/c1c(F)cc(Cl)cc1NS(=O)(=O)c1ccc(N)cc1)c1ccccc1Cl,0, 0.1855395017021516),9085,TRUE
Cc1cccc(C)c1OC(C)(/C=C/C=O)N(CC(C)(C)Oc1nc2ccccc2c2ccccc12)C(=O)c1ccc(Cl)s1,0, 0.06837105992845159),9330,TRUE
[H]NC(=O)C(=O)[C@H](C)NC(=O)C(C)(C)c1cccc2cc(Oc3nc4ccccc4c4ccccc34)ccc12,0, 0.23414459583935893),9337,TRUE
Cc1c(NS(=O)(=O)c2ccc(N)cc2)cc(-c2cccnc2)c(C)c1N(C(=O)c1cccs1)C(C)/C=C/C=O,0, 0.15608324152883443),9400,TRUE
Cc1cc(C(=O)N([C@@H](C)C(=O)c2nc(Oc3cncc(Br)c3)cs2)C(C)(N)/C=C/C=O)no1,0, 0.18884507858125726),9505,TRUE
CC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)C(=O)N1CCC(C)CC1Oc1nc2ccccc2c2ccccc12,0, 0.21629029830207347),9575,TRUE
C[C@H]1C(Cc2ccccc2)OC(=O)C1(Oc1nc2ccccc2c2ccccc12)C(C)(/C=C/C=O)NC(=O)c1cccs1,0, 0.09353362110496256),9722,TRUE
C[C@H](NC(=O)/C=C/c1cccc(Oc2nc3ccccc3c3ccccc23)c1)C(=O)NC(/C=C/C=O)Cc1cccc(Cl)c1,0, 0.09791812880478505),9778,TRUE
CC(C)CC(=O)NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)Cc1cc(B(O)O)cc([N+](=O)[O-])c1,0, 0.06915278072774265),9981,TRUE
CC(C)C(c1cccc(Cl)c1Cl)N(C(=O)c1sc(Cl)cc1Oc1nc2ccccc2c2ccccc12)C(C)/C=C/C=O,0, 0.09166248840333256),10023,TRUE
CC(N)(O)C(=O)C(N)=O,0, 0.2900772483318081),10037,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)O[C@H]1CCOC1,0, 0.07559883003432165),10058,TRUE
Cc1cnc(C(=O)NC(/C=C/C=O)Cc2ccc3[nH]c(-c4nc(C)c(OC(C)(C)C)s4)cc3c2)cn1,0, 0.25945204222332585),10128,TRUE
C[C@H]1O[C@@H](OC(C)(/C=C/C=O)NC(=O)Cc2cnccc2O[C@@H]2COCC2Oc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O,0, 0.170004379223399),10177,TRUE
Cc1ccc(C(F)C(=O)[C@@H](N)CCC(=O)N(C(=O)[C@H](CO)C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)C(=O)C=O)nn1,0, 0.11935242846157997),10387,TRUE
CCC(=O)N(C(=O)c1cccs1)C(/C=C/C=O)Cc1ccc2[nH]c(N(c3cccnc3)[C@H](C=O)CO)cc2c1,0, 0.20356639676519717),10541,TRUE
C#CC[C@H](N)C(=O)N(C(=O)[C@H](CO)NC(=O)CNC(=O)C(=O)[C@H](C)N)[C@@H](C)CC,0, 0.17576909168131125),10583,TRUE
CCC(=O)N(C(=O)c1cc2cc(Cl)cc(-c3ccc(O)cc3C3C(=O)OC[C@@H]3C)c2[nH]1)C(C)/C=C/C=O,0, 0.2562621666315954),10646,TRUE
CC(C)CC(=O)N(C(=O)Cc1c(C2CC2)oc2cc(O)c(-c3cccnc3)c(O)c2c1=O)C(C)/C=C/C=O,0, 0.31702425994323),10653,TRUE
C[C@H]1O[C@@H](C(/C=C/C=O)(Cc2c(O)c(Cl)cc(Cl)c2Cl)N(C(=O)c2cc3ccccc3[nH]2)C(=O)c2ccco2)[C@@H](O)[C@@H](O)[C@@H]1O,0, 0.07880667938925588),10723,TRUE
[H]N[C@H](C(=O)N[C@@H](Cc1ccc([SH](=O)=O)nc1C[H])C(=O)C=O)[C@@H](C)O,0, 0.23326009327306657),11122,TRUE
CC(C)C(Oc1ccc(CC=O)cc1)C(=O)N[C@@H](C)C(=O)C=O,0, 0.5437202283748117),11136,TRUE
CSC([C@@H](C)C=O)[C@H](O)C(N)(N)N[C@@H](C)C(=O)C=O,0, 0.22257111211512434),11185,TRUE
CCCc1ccc(C(=O)N[C@@H](C)C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)s1,0, 0.6637352305308264),11192,TRUE
NS(=O)(=O)c1ncc(C[C@H](N[C@H]2CN2)C(=O)C=O)cc1OCC=O,0, 0.23310551793295703),11255,TRUE
CCN(C(=O)C(N)(CCC(=O)O)c1ccc(C=O)o1)C(C)(/C=C/C=O)OCCc1ccc([SH](=O)=O)nc1,0, 0.12799502989098238),11276,TRUE
CC(=O)n1ccc2cc(-c3cccc(N(c4ccc(O)cc4)C(C)/C=C/C(=O)N[C@H](C=O)CCCC(N)=O)n3)ccc21,0, 0.16874219347817573),11409,TRUE
CC(C)C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)NC(C)(/C=C/C=O)c1ccc([C@H]2CO2)cc1F,0, 0.19753543985072491),11416,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N(C(=O)CCc1cc(O)c(O)c(O)c1)c1oc(C=O)cc1-c1ccc(N)cc1,0, 0.031051950979376033),11528,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NC(=O)c1ccc(Cl)s1)Oc1ccccc1,0, 0.10884523158971485),11633,TRUE
NC(=O)C(=O)[C@@H](N)Cc1c[nH]nn1,0, 0.4532118316164517),11724,TRUE
Cn1ccc(C2(Oc3nc4ccccc4c4ccccc34)CCC2CC(/C=C/C=O)NC(=O)/C=C/c2ccc(Cl)cc2F)c1,0, 0.10107579975022271),11948,TRUE
CC(N)/C=C/C(=O)N[C@@H](CC(C)N[C@@H](C)C(=O)c1nccs1)C(=O)C(=O)NS(=O)(=O)C1CC1N/C(C=O)=C\c1ccco1,0, 0.06744986007838884),12025,TRUE
CC(=O)NC(=O)N[C@@H](CC(C)Cc1ccc(C(=O)CF)o1)C(=O)NC(C)(/C=C/C(=O)N[C@H](C=O)[C@H](C)O)C1CCOC1=O,0, 0.07941030104720827),12039,TRUE
CC(/C=C/C=O)NC(=O)c1nccnc1Oc1nc2ccccc2c2ccc(C[C@H]3COC(=O)C3C)cc12,0, 0.16211324836851723),12046,TRUE
CC(/C=C/C=O)(NC(=O)c1nc2ccccc2cc1C(F)(F)F)Oc1nc2ccccc2c2ccccc12,0, 0.12542442181311075),12123,TRUE
CC(=O)Nc1c2c(cn1C[C@H](NC(=O)/C=C/C(C)N)C(=O)N(c1ccc(C(=O)C(F)F)o1)[C@H](C=O)[C@@H](C)O)C(=O)C=CC2=O,0, 0.1409836897180075),12221,TRUE
CC(N)(/C=C/C(=O)N[C@H](C=O)CC(=O)NC(=O)C(N)c1cccnn1)c1cc(C[C@H](N)C(=O)C(F)(F)F)on1,0, 0.15052206320358627),12270,TRUE
CC(/C=C/C=O)(N[C@H](C=O)CCCCN)N[C@H](C(=O)CF)C(CC(=O)N[C@H](C=O)CO)c1ccccn1,0, 0.06485326705418075),12319,TRUE
C[C@@H]1C[C@H]2CCCC[C@@H]2[C@@H](CN(C(=O)c2cnccn2)C(C)(/C=C/C=O)Oc2nc3ccccc3c3ccccc23)O1,0, 0.10957269202476447),12550,TRUE
O=CN[C@@H](CC(Cc1c(O)c(Cl)cc(Cl)c1Cl)C1CCCCC1)C(=O)C=O,0, 0.3434191131687091),12655,TRUE
Cc1c(Oc2ccccc2)sc(C(N[C@@H](C)C(=O)C(=O)Nc2ccc(N)cc2)[C@@H](O)[C@H](C)N)n1,0, 0.21795400831886977),12711,TRUE
CSc1cc(C)c(C[C@H](NC=O)C(=O)C=O)s1,0, 0.45971980995741524),12788,TRUE
C[C@H](NCC=O)C(=O)C=O,0, 0.392983193353601),12844,TRUE
CC(/C=C/C(=O)Nc1ccc(NCc2cccc(C#N)c2)cc1)NC(=O)/C=C/c1ccc(Cl)cc1F,0, 0.3282295969611454),12879,TRUE
CC(C)CC(=O)NC(/C=C/C=O)(Cc1ccc([N+](=O)[O-])cc1CCC=O)c1oc2cccc(O)c2c(=O)c1O,0, 0.13499727274544648),12998,TRUE
Cn1ccc(CC(/C=C/C=O)(Oc2cccc3[nH]c(C=O)cc23)N(C(=O)c2cc3cc(F)ccc3[nH]2)c2ccc(/C=C/C=O)cc2)c1,0, 0.09033615928936807),13061,TRUE
CSC(C)(/C=C/C(=O)N(C(=O)C[C@H](O)C=O)S(=O)(=O)C1(C)CC1)N(C(C)=O)c1cccc(Cl)c1Cl,0, 0.2603391568363092),13201,TRUE
CC(C)C(=O)NC(C)(/C=C/C=O)C1(C(Oc2nc3ccccc3c3ccccc23)c2ccc3c(c2)OCO3)CCCCC1,0, 0.12593994222499832),13278,TRUE
C[C@@H](O)C[C@@H](C)C(=O)N[C@@H](Cc1ccccc1N[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C(=O)NC(C)(C)C,0, 0.20540586446025497),13292,TRUE
Cc1noc(C)c1C(C)(C(=O)C(F)(F)F)N(C(=O)/C=C/C(C)(NC=O)c1cccc2cc[nH]c12)c1cccc([N+](=O)[O-])c1,0, 0.10925003271108959),13320,TRUE
Cc1cccc2ccc(-c3c(Br)cnc(CCCC(=O)O)c3C(C(=O)NC(C)/C=C/C=O)[C@H](O)C=O)nc12,0, 0.21663759558870346),13348,TRUE
CNC(=O)/C=C/C(C)(Oc1nc2ccccc2c2ccccc12)N(C(=O)Oc1cncc(Cl)c1)C(C)C,0, 0.19028039962402443),13390,TRUE
CC(/C=C/C=O)N(C(=O)c1sccc1O[C@H]1CCOC1Oc1nc2ccccc2c2ccccc12)c1ccc(N)cc1,0, 0.09333012523679163),13404,TRUE
[H]Oc1cc(C(C)=O)oc1C[C@H](O)[C@@H](C=O)NC(=O)C(=O)[C@H](C)N,0, 0.2600971293972887),13537,TRUE
CCCCc1nccnc1C(=O)N(C(=O)/C=C/C(C)NC(=O)C[C@H](O)C=O)[C@H](C=O)[C@H](C)CCc1cc(F)c(F)cc1F,0, 0.16893172007291515),13544,TRUE
C[C@H](Nc1cccc(C#N)c1)C(=O)C(=O)Oc1nc2ccccc2c2cccc(NC3CCCC3)c12,0, 0.202677679205777),13796,TRUE
Cc1noc(C)c1CC(/C=C/C=O)NC(=O)c1ccc2ccc(Oc3nc4ccccc4c4ccccc34)cc2n1,0, 0.13415211972971877),13824,TRUE
CC(N)/C=C/C(=O)NC(C)C(=O)C=O,0, 0.3423240384830712),13831,TRUE
CC(/C=C/C=O)(NC(=O)c1cc2c(C(CC=O)C3CC3)c(Cl)ccc2[nH]1)c1cc(C2CCCCC2)c(C=O)o1,0, 0.20315109093977513),13852,TRUE
[H]C(=O)C(=O)[C@@H](N)C(N[C@H](C=O)CC#C)c1scnc1CC(=O)c1ccco1,0, 0.24617474850422746),13957,TRUE
CSc1cc(C(c2nc(C)cs2)[C@H](N)C(=O)C(=O)N[C@H](C=O)CC(N)=O)oc1C(=O)CF,0, 0.16760021597736893),14272,TRUE
CC(=O)C(=O)C(Nc1cc2nc(O)c3ccccc3c2cc1NS(=O)(=O)c1ccc(N)cc1)[C@@H](C)O,0, 0.13626597262827),14307,TRUE
COC(C)(/C=C/C(=O)N(c1nc(C)cs1)[C@H](C=O)CC(C)C)NC(=O)c1cc2cc(Cl)ccc2[nH]1,0, 0.2268406339098333),14426,TRUE
Nc1ccc(-c2ccccc2Cl)cc1C[C@H](Nc1cc(Oc2nc3ccccc3c3ccccc23)co1)C(=O)C=O,0, 0.08154312863991924),14531,TRUE
CC(/C=C/C=O)(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2nc3ccccc3c3ccccc23)cc1N=Cc1ncoc1O,0, 0.036273025536359825),14657,TRUE
CC(=O)c1ccc(C(C(/C=C/C=O)NC(=O)c2ccc(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)o2)C2(C(=O)/C=C(\O)C(=O)O)CCOC2=O)o1,0, 0.040992152357544),14671,TRUE
N[C@@H](Cn1ccc2ncnc-2c1)C(=O)C(=O)Oc1ccc(O)cc1Nc1ccc(O)c(O)c1,0, 0.09192614200684021),14706,TRUE
CSc1cc(C)c(NC(C)(/C=C/C=O)Nc2c(NC(C(=O)C(C)=O)[C@@H](C)O)ccc(-c3ccc(C=O)s3)c2Cl)s1,0, 0.05416694821763085),14713,TRUE
CC(/C=C/C=O)(NC(=O)CCc1ccoc(=O)c1)NC(C)(N[C@H](C=O)CCCCN)C(C)(O)N[C@H](C=O)CCC=O,0, 0.044981613012555856),14734,TRUE
CCC(=O)N(Cc1cccc(Cl)c1-c1ccc2c(O)ccnc2c1C)C(C)(/C=C/C=O)c1ccccc1,0, 0.20409476475540475),14818,TRUE
N[C@@H](Cc1c(-c2oc(C=O)cc2O)coc(=O)c1CS(=O)C1=[SH]c2ncccc2N1)C(=O)C=O,0, 0.14711860641671642),15007,TRUE
CC[C@@H](C=O)Nc1cc(Cl)oc1C(=O)N(C(=O)[C@H](C)NC(=O)/C=C/C(C)N)N(C=O)CCC(N)=O,0, 0.1497260340449443),15014,TRUE
CC(/C=C/C=O)(NC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)C1(Cc2ccc(Cl)cc2)CC1)c1cccs1,0, 0.1661449225064412),15042,TRUE
N[C@H](C=O)CC1Cn2c(nnc2C[C@H](N)C(=O)C=O)CN1,0, 0.3635943149488697),15070,TRUE
CC(/C=C/C=O)N(C(=O)c1nc2ccccc2cc1Oc1nc2ccccc2c2ccccc12)c1ccc(F)cc1Cl,0, 0.10868721272124925),15133,TRUE
O=C/C=C/C(Cc1ccccc1)(Oc1nc2ccc(NC=O)cc2c2ccccc12)N(CC=O)C(=O)/C=C/c1ccccc1,0, 0.08167305047087764),15245,TRUE
CC(=O)N(c1c(C)noc1C)C(C)(/C=C/C=O)Oc1ccc(O)cc1Cn1cc2c(c1)C(=O)C=CC2=O,0, 0.2796998906469912),15273,TRUE
CC(=O)C(=O)C(NC(C)(/C=C/C(=O)O)Nc1csc(C)n1)[C@@H](C)O,0, 0.2896625318762284),15322,TRUE
Cc1cnc(C(=O)N(C(=O)/C=C/c2ccccc2)C(C)(/C=C/C=O)Oc2nc3ccccc3c3ccccc23)cn1,0, 0.10695636760559792),15441,TRUE
CC(=O)N(C(=O)C(C)C)C(/C=C/C=O)(Cc1cccs1)N(C(=O)c1cc2cc(Cl)ccc2[nH]1)[C@@H](C)C(=O)C(F)(F)F,0, 0.18369984138279175),15455,TRUE
CCOc1cc(N[C@@H](C)[C@@H](C)O)nc(SC(C)(N)/C=C/C(=O)NC(C)C(=O)C=O)n1,0, 0.09101475139311992),15560,TRUE
Cc1c(C(/C=C/C=O)(Cc2c(O)c(Cl)cc(Cl)c2Cl)NC(=O)c2cccs2)ccc2c(O)ccnc12,0, 0.13411194714807967),15770,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N(CC(N)=O)C(=O)/C=C/c1ccc(Cl)cc1F,0, 0.19444420910114563),15777,TRUE
C[C@H](Nc1cc(O)c2c(=O)c(NC(C)(C)C)coc2c1N[C@@H](C)[C@@H](C)O)C(=O)C(=O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0, 0.11566905916828431),15819,TRUE
CNc1cc(O)c2cc(C(=O)NC(C)(/C=C/C(=O)Nc3ccc(Oc4nc5ccccc5c5ccccc45)cc3)c3nccs3)[nH]c2c1,0, 0.07932636461492087),15833,TRUE
CC[C@@H](C(=O)O)N(C(=O)CC[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](CCC(=O)NC(C)/C=C/C=O)C(=O)C(F)(F)F,0, 0.12073283087211499),15952,TRUE
CN(C)c1c2c(c(-c3cc(O)c(O)c(O)c3)n1CC(/C=C/C=O)N(C=O)C(=O)C(Cl)=C(Cl)Cl)C(=O)C=CC2=O,0, 0.22445229595409605),16141,TRUE
CC(/C=C/C=O)(NC(=O)c1ccc(Cl)o1)n1[nH]c(=O)c2cc(C(=O)/C=C(\O)C(=O)O)ccc2c1=O,0, 0.15325728235006375),16162,TRUE
CSc1c(C(=O)NC(C)/C=C/C=O)[nH]c2c(CN3C(=O)C(=O)c4cc(C#N)ccc43)cc(Cl)cc12,0, 0.21580310134891909),16232,TRUE
Cn1ccc(-c2cc(CC(/C=C/C=O)NC(=O)/C=C/c3ccc(Cl)cc3F)cc(Oc3ccccc3)c2F)c1,0, 0.173565537879523),16400,TRUE
O=C/C=C/C(Cc1c(CCCC(=O)O)ccc(Cl)c1Cl)N(CCC(=O)O)C(=O)c1ccc(Cl)o1,0, 0.27772252970480926),16575,TRUE
C[C@@H](C(=O)C(=O)OC(C)(C)C(N)=O)N(C(=O)c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1,0, 0.21803137544230994),16645,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1cc(-c2nc3cn(C)cc(O)c-3n2)no1,0, 0.4923083863308379),16652,TRUE
C=C[C@@H]1C[C@H]1N(C(=O)/C=C/C(C)(Sc1ccccc1)N(C=O)c1cccc2ccccc12)c1ccccc1[N+](=O)[O-],0, 0.03615266908346666),16701,TRUE
[H]N(C(=O)C(=O)[C@H](C)N)c1cccc(N)c1,0, 0.48410041488559885),16757,TRUE
CC(=O)C(=O)C([C@@H](C)O)N(c1ccc(N)cc1)c1cccc(Oc2nc3ccccc3c3ccccc23)c1N,0, 0.14095225762358193),16792,TRUE
C=C(CC)C(=O)c1c(NS(=O)(=O)C2CC2)ccc(OC(C)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)NC(C)=O)c1OCC=O,0, 0.04124098034127053),16848,TRUE
Cc1cc(O)ccc1N(c1cccc2cc[nH]c12)C(/C=C/C=O)Cc1c(O)c(Cl)cc(Cl)c1Cl,0, 0.13654924491471823),16876,TRUE
CC(/C=C/C=O)NC(=O)C(Cc1oc2cc(O)cc(O)c2c(=O)c1O)Oc1nc2ccccc2c2ccccc12,0, 0.130191157078106),16918,TRUE
[H]c1ccc(OC)c(N=Cc2ncoc2O)c1NC(=O)C(=O)[C@H](C)N,0, 0.5290488179012778),16960,TRUE
[H]C(=O)C(=O)[C@@H](N)Cc1oc(C(C)=O)c([H])c1-c1c(C)noc1C,0, 0.4865951439076647),17107,TRUE
C[C@@H](C=O)N(C(=O)c1cc2cc(Cl)ccc2[nH]1)C(/C=C/C=O)(Cc1oc2cc(O)cc(O)c2c(=O)c1O)c1ccccc1F,0, 0.13092798489643284),17219,TRUE
CCC[C@H](Nc1cc(N2CCC(C)CC2c2cc(=O)occ2)c(O)c(O)c1O)C(=O)C=O,0, 0.2091572932215302),17247,TRUE
Nc1ccc(C(c2ccccc2)C(/C=C/C=O)(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc2)cc1,0, 0.08103771115373255),17296,TRUE
Cc1cc(C(=O)NC(C)/C=C/C(=O)Oc2nc3ccccc3c3cc(O[C@H]4CO[C@H]5OCC[C@@H]45)ccc23)no1,0, 0.21411889674361118),17310,TRUE
COC(=O)/C=C/C(C)(NC=O)N(CC(O)C(C)N)[C@@H](CC(N[C@@H](C)C(C)=O)C(=O)O)C(=O)C(F)(F)F,0, 0.0725345922898634),17331,TRUE
Cc1oc(=O)oc1CN(c1cccc2[nH]ccc12)C(C)(/C=C/C=O)N(C(=O)c1ccc2ccccc2n1)[C@@H](CC(C)C)B(O)O,0, 0.07952057624421088),17520,TRUE
[H]Cc1cccc(-c2cc(N(C(=O)C(Cl)=C(Cl)Cl)[C@@H](C)C(=O)C=O)nn2C)c1[N+](=O)[O-],0, 0.1990954387941548),17583,TRUE
Cc1noc(Nc2sc(C(=O)N(c3cccnc3)C(C)/C=C/C=O)cc2Nc2ccccn2)c1[N+](=O)[O-],0, 0.12613117627164647),17716,TRUE
CC[C@H](NC(=O)/C=C/C(C)(N)OC(N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)N)(N[C@H](CO)C(=O)N(C)C)C(N)=O)C(=O)O,0, 0.06048437924766116),17730,TRUE
CC(=O)c1ccc(C(C)(/C=C/C(=O)N(C(=O)c2cccs2)[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C=O)NC(=O)c2ccc3ccccc3n2)o1,0, 0.10918722092781813),17842,TRUE
CN(C)c1coc(C(=O)C(F)(F)c2sc(NC(/C=C/C=O)Cc3c(F)cc(F)cc3F)nc2-c2ccn(C)n2)c1,0, 0.11052271958565624),17989,TRUE
C[C@H](N[C@@H]1CNCCN1)C(=O)C(N)=O,0, 0.3773810371569224),18017,TRUE
Cc1cccc(C)c1-c1ccc2c(OC(C)(/C=C/C=O)N(C(=O)[C@@H](O)CC=O)C(C)(C)C)nc3ccccc3c2c1,0, 0.11667551488182681),18101,TRUE
C[C@H](NCC(O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](C)N)C(=O)C=O,0, 0.23560066220364173),18136,TRUE
N[C@@H](Cc1coc(C[C@H](N)C(=O)C=O)c1Oc1cncc(CS(=O)C2=[SH]c3ncccc3N2)c1NC1CC1)C(=O)C=O,0, 0.07454206376711092),18220,TRUE
Cc1ccc(N[C@@H](C)[C@@H](C)O)c(C)c1C(C)(/C=C/C=O)NC(=O)C(C)(C)c1cc(N[C@H](C(=O)[C@H](C=O)CO)[C@@H](C)O)co1,0, 0.09547301243375646),18416,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2c(-c3ccc(CCC=O)cc3F)cccc12)NC(=O)c1cnccn1,0, 0.11369865359721537),18542,TRUE
C[C@H](N)C(=O)C(=O)Nc1nc2ccccc2[nH]1,0, 0.6672465649525484),18661,TRUE
CC(/C=C/C=O)(NC(=O)C(C)(C)c1ccc(O)c(Cl)c1Cl)c1cc(Cl)cc(N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)c1,0, 0.1769355927890058),18668,TRUE
O=C/C=C/c1cccc(CC(/C=C/C=O)(NC(=O)[C@@H](O)CC=O)c2ccc(Cl)c(-c3ccc(C(=O)C(F)F)o3)c2Cl)c1,0, 0.14483711455681808),18836,TRUE
CCC(=O)NC(C)(/C=C/C(=O)Nc1ccc(-c2c(F)cc(F)cc2F)cc1)c1cc(-c2ccc(S(N)(=O)=O)nc2)c(C)nn1,0, 0.23128676223335462),18962,TRUE
Cc1cccc2c(NC(/C=C/C=O)(c3ccc(/C=C/C=O)cc3)C(c3cccc(Cl)c3Cl)[C@H]3COC(=O)C3)ccnc12,0, 0.1156810284742658),19032,TRUE
CC(/C=C/C(=O)Oc1cc(O)c2c(=O)c(O)coc2c1)(NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1F,0, 0.1716602287416195),19067,TRUE
CC(=O)NC(C)(/C=C/C=O)N(C=O)c1cc(CC2CCOC2=O)c(C(=O)C(F)c2ccc(-c3nc4ccccc4c4ccccc34)nn2)o1,0, 0.04798664876532423),19130,TRUE
CC(/C=C/C=O)(Nc1ccc(NC(N)=O)cc1)N(C=O)C(=O)c1cc(Cc2cccc(Cl)c2Cl)on1,0, 0.20174355378768868),19207,TRUE
CCN(C(=O)c1[nH]c2cccc(O)c2c1-c1ccc2cc(-c3cncs3)cc(C)c2n1)C(C)/C=C/C=O,0, 0.20279418307464878),19221,TRUE
O=C/C=C/C(Cc1ccc(-c2cc(O)c3c(=O)ccoc3c2)cc1)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1O[Na])c1ccc(Cl)cc1,0, 0.055025669540492685),19270,TRUE
Cc1cnc(C(=O)N(CC=O)C(/C=C/C=O)C(c2ccccc2[N+](=O)[O-])[C@@H]2OC2Cc2cccnn2)cn1,0, 0.11444519379466668),19291,TRUE
CC(C)C[C@@H](C=O)C(=O)[C@@H](Nc1cccc(N=Cc2nc(C(C)(C)C(=O)NC(C)/C=C/C=O)oc2O)c1)[C@@H](C)O,0, 0.11158475355624257),19452,TRUE
CC(=O)[C@H](Cc1cccc(On2nnc3ccccc32)c1Cl)NC(=O)C(=O)[C@H](C)NC=O,0, 0.345520319602976),19515,TRUE
[H]C(=O)C(=O)[C@H](C)NCc1cc(N[H])n(C)c1,0, 0.5221505281714367),19690,TRUE
CC(N[C@H](C=O)[C@@H](C)O)[C@H](NC(=O)C(=O)[C@H](C)N[C@H]1COC(=O)C1OCC(N)=O)C(=O)O,0, 0.08247856783418302),19865,TRUE
CC(C)[C@H](Nc1cc(NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)C[C@@H](C)O)ccc1Cl)C(=O)C[C@@H](C)C=O,0, 0.22289954635400663),20019,TRUE
Cc1cc(C(=O)NC(C)(/C=C/C=O)n2cc3c(c2Oc2nc4ccccc4c4ccccc24)C(=O)C=CC3=O)no1,0, 0.16991557900060386),20082,TRUE
CC(/C=C/C(=O)Oc1nc2cc(Oc3cnc(CC=O)c(Cl)c3)ccc2c2ccccc12)NC(=O)c1ccc(Cl)s1,0, 0.0836319495196264),20124,TRUE
[H]OC1CCNC(=O)N1C[C@H](N[H])C(=O)C=O,0, 0.3641534700893081),20187,TRUE
CCC(=O)N(c1ccccc1)c1ccnc2c(C)c(N(C(=O)c3cc4ccccc4[nH]3)C(C)/C=C/C=O)ccc12,0, 0.17483177041961556),20362,TRUE
N#Cc1cc(Nc2ccccc2)cc(C(N/C(C=O)=C\c2ccco2)[C@H](Nc2ccccc2/C=C/C=O)C(=O)C=O)c1,0, 0.107783136927446),20411,TRUE
[H]Oc1ccnc(NC(=O)C(=O)[C@@H](N)Cn2nnc3ccccc32)c1,0, 0.5641752021620882),20593,TRUE
Cn1nc(OC(C)(C)C)cc1C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1ccccc1N)C(=O)C(=O)OCC=O,0, 0.11873147001651696),20656,TRUE
CC(C)N(C(=O)/C=C/c1cc(Oc2nc3ccccc3c3ccccc23)c(Cl)cc1F)C(C)/C=C/C=O,0, 0.13929053610775233),20670,TRUE
C[C@H](N)C(=O)C(=O)N(c1ccccc1F)[C@@H](C)C(=O)c1nc(N)cs1,0, 0.5902956236802019),20726,TRUE
[H]C1CC1(NC(=O)C(=O)[C@H](C)N)Oc1ocnc1C=Nc1ccccc1,0, 0.4448152348066589),20754,TRUE
CC(/C=C/C=O)(Oc1nc2ccccc2c2cc(-c3cccnc3)ccc12)N(Cc1ccc(Cl)cc1)C(=O)[C@@H](O)CC=O,0, 0.08742140919206019),20789,TRUE
CCC(=O)N(CC)C(C)(/C=C/C=O)c1cc(Br)c(C[C@H](N)C=O)nc1CC(=O)[C@@H](N)CCC=O,0, 0.25251552590970616),20817,TRUE
CC(/C=C/C(=O)N[C@H](C=O)CCC=O)NC(=O)c1cnc(-c2ccco2)c(C(C)(C)CC2CCCC2)n1,0, 0.3094780199346153),20831,TRUE
O=CCN(C=O)[C@@H](Cc1ccccc1)C(=O)C(=O)Oc1nc2ccccc2c2ccccc12,0, 0.17181963725536384),20838,TRUE
C[C@H](N)CCN[C@@H](C)C(=O)C(=O)Nc1nc(N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)ccc1-n1cc2c(c1)C(=O)C=CC2=O,0, 0.19443631883448934),20873,TRUE
CC(=O)N(C=O)C(C)(/C=C/C=O)c1cccc2cc(N3CCC4CCCCC4(Oc4ccc(O)cc4)C3)[nH]c12,0, 0.31214641045745734),20936,TRUE
CC(C)OC(/C=C/C=O)(Cc1ccc(F)cc1)NC(=O)c1ccc(Oc2nc3ccccc3c3ccccc23)s1,0, 0.08529803533411313),20957,TRUE
CC(/C=C/C=O)(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc(B(O)O)c1Oc1nc2ccccc2c2ccccc12,0, 0.046666575762208555),21153,TRUE
CC(/C=C/C=O)NC(=O)c1[nH]c2c(C[C@@H](C=O)C[C@@H](C)O)cc(F)cc2c1CC(C)c1ccc(F)cc1,0, 0.24091676100194617),21265,TRUE
Cc1noc(Nc2cc(-c3ccccc3Cl)c(C3COC[C@H]3OC(C)(/C=C/C=O)NC(=O)C(C)C)cn2)c1[N+](=O)[O-],0, 0.10224542860166919),21370,TRUE
C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1F)C(=O)C=O,0, 0.508756680929539),21377,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C=O)C(CC(CNc1ccoc(=O)c1)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F)c1cscn1,0, 0.11995945066051247),21454,TRUE
C=C(CC)C(=O)c1cccc2c1c(OC(=O)/C=C/C(C)NC(=O)[C@@H](O)CC=O)nc1cc(C(C)C)ccc12,0, 0.12575574468188233),21482,TRUE
CC(/C=C/C=O)N(Cc1oc(=O)oc1Cc1ccn(C)c1)C(N/C(C=O)=C\c1ccco1)[C@@H](O)C[C@@H](C)C=O,0, 0.15793404567730118),21636,TRUE
C[C@H](NC(=O)C(CO)Oc1nc2ccccc2c2ccccc12)C(=O)C=O,0, 0.3719720243000195),21678,TRUE
Cc1cc(C(=O)NC(/C=C/C=O)(Cc2cccc(Oc3nc4ccccc4c4ccccc34)c2)Oc2ccccc2)no1,0, 0.0821529898333833),21909,TRUE
CCc1cccc2c1c(OC(C)(/C=C/C=O)NC(=O)c1cc(C)on1)nc1cccc(-c3ccc(C=O)s3)c12,0, 0.10474547296033444),21916,TRUE
CCC(=O)N(C(=O)/C=C/c1ccc(Cl)cc1F)C(C)/C=C/C(=O)Oc1nc2ccccc2c2ccccc12,0, 0.15457922677592206),22035,TRUE
CC(C)CC(=O)N(C(=O)c1cc2c(O)cc(CCCC(=O)O)cc2[nH]1)[C@@H](C)C(=O)C=O,0, 0.3876522449367981),22084,TRUE
COC(=O)/C=C/C(C)(NC(=O)/C=C/c1ccc2c(c1)OCO2)Oc1nc2ccccc2c2cc([C@H]3COC(=O)C3)ccc12,0, 0.13552073506024864),22175,TRUE
Cc1cc(C(=O)NC(C)(/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)C(F)(F)F)On2nnc3ccccc32)no1,0, 0.23827892271336426),22252,TRUE
C=C[C@@H]1C[C@]1(N)C(O)(CNC(C)/C=C/C(=O)N[C@@H](CCCCN)C(=O)NC(C=O)CCC(=O)O)C(C)N,0, 0.04296686878192888),22322,TRUE
[H]OC(=O)C(=O)[C@H](C)NC(=O)C(Oc1nc2ccc(N3CCOCC3)cc2c2ccccc12)C(C)C,0, 0.3741053306690938),22406,TRUE
[H]NC1CCNC(=O)N1C(=O)C(=O)[C@@H](N)C([H])[H],0, 0.4651667353455777),22441,TRUE
CCc1cc(Cl)sc1C(=O)N(Cc1cn(C)c(C(C)(C)C)c1-c1cc(=O)c2c(O)cc(O)cc2o1)C(C)/C=C/C=O,0, 0.17564203590248556),22448,TRUE
CC(C)C[C@H](C=O)Nc1ncc(C(Oc2cccnc2)c2cnc(C(=O)NC(C)/C=C/C=O)cn2)cc1Br,0, 0.22594062329256043),22455,TRUE
NC(=O)C(=O)[C@H](Cc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1nnc(S)n1-c1ccccc1,0, 0.1110666062349072),22616,TRUE
CCC1(C(=O)O)CCN(c2ccc3[nH]cc(Oc4nc5ccccc5c5ccccc45)c3c2)[C@@H]1C(C)(/C=C/C=O)NC(=O)CC(C)C,0, 0.07874645966809653),22756,TRUE
[H]C(C)(/C=C/C=O)c1ccc(C(=O)C(F)(F)N(c2cccc(O)c2C)[C@@H](C)C(=O)C=O)o1,0, 0.20069857099421137),22875,TRUE
CC(C)C(C(=O)N(C(=O)[C@@H](O)CC=O)C(C)(/C=C/C=O)Oc1nc2ccccc2c2ccccc12)c1cccc2cc[nH]c12,0, 0.09025126055909365),22889,TRUE
CC(/C=C/C=O)N(C(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)c1nc2ccccc2cc1-c1ccc(Br)cc1,0, 0.189837581348323),22910,TRUE
O=CC(=O)[C@H](Cc1nnc(S)n1-c1cccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)c1)Nc1ccccc1Cl,0, 0.10342605962773828),22931,TRUE
CC(/C=C/C=O)(Oc1cnc(C2CCC2)c(Cl)c1)N(CCc1nc(S)[nH]c(=O)c1C#N)C(=O)c1ccc(Cl)o1,0, 0.11388407125042238),22952,TRUE
CCCCN(C(=O)c1cccs1)C(C)(/C=C/C(=O)Nc1ccc(C(=N)N)cc1)c1scnc1-c1cccc(C#N)c1,0, 0.1070925174294214),23008,TRUE
CC(/C=C/C(=O)Oc1cnc(-c2ccccc2Cl)c(Cl)c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1,0, 0.22807266920929373),23029,TRUE
CC(/C=C/C=O)(NC(=O)/C=C/c1ccc([N+](=O)[O-])c(Nc2cc(Cl)cc(Cl)c2)c1)c1ccc(-c2ccc(O)cc2)o1,0, 0.07554033106588638),23358,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N(Cc1cccc(Cl)c1)C(=O)C(Cl)=C(Cl)Cl,0, 0.1284500008104525),23379,TRUE
CCN(C(=O)[C@@H](O)CC=O)C(/C=C/C=O)Cc1c(O)c(Cl)c(C(C=O)c2ccc(Cl)cc2)c(Cl)c1Cl,0, 0.21381938082032098),23386,TRUE
O=C/C=C/C(Cc1c(F)cc(F)c(Cn2cc3c(c2)C(=O)C=CC3=O)c1F)(NC(=O)c1cccs1)c1ccc(O)c(O)c1,0, 0.14019471385776971),23729,TRUE
C[C@H](NC(C)(C)C)C(=O)C(=O)N[C@@H](C)C(=O)c1nc(O)cs1,0, 0.5286264652406915),23743,TRUE
C[C@H](Nc1cccc2cc[nH]c12)C(=O)C(=O)NC(=O)C(C)(CC1CCCCC1)c1ccccc1,0, 0.4084363618561718),23813,TRUE
Cc1nc(NC(C)(OCC(N)=O)C(=O)C(N)=O)c(C=O)nc1Oc1nc2ccccc2c2ccccc12,0, 0.12465426374001602),23834,TRUE
Cn1ccc(C(C)(N)/C=C/C(=O)NC(C=O)CC(C(=O)O)N(c2cncs2)[C@@H](CCC=O)C(=O)C(F)(F)F)c1,0, 0.21323551300720645),23953,TRUE
C[C@@H](CC(C=O)n1cc2c(c1)C(=O)C=CC2=O)NC(=O)/C=C/C(C)(N)N[C@@H](C)C(=O)OCC(C)(C)c1ccc([SH](=O)=O)nc1,0, 0.07709405329328439),24037,TRUE
CC(/C=C/C=O)Nc1cc(N(C(=O)/C=C/c2c(F)cc(Cl)cc2OC(C)C)C2CC2Oc2nc3ccccc3c3ccccc23)co1,0, 0.08211031974278717),24107,TRUE
C[C@H]1O[C@@H](C(Nc2nc3ccccc3[nH]2)[C@H](NC(=O)[C@@H](N)CO)C(=O)C(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O,0, 0.12736492933728719),24135,TRUE
CC[C@@H](C)[C@@H](C=O)NC(=O)[C@H]([C@@H](C)O)N(C(=O)CCCCCN)C(=O)C(=O)[C@H](C)NC(=O)C(=O)[C@H](C)N,0, 0.0821946185690507),24170,TRUE
CCCc1cc(Cl)oc1C(=O)NC(C)(/C=C/C=O)N1C(=O)NCCC1C1C(=O)OC(C(C)C)[C@@H]1C,0, 0.29870508891569014),24184,TRUE
CC(/C=C/C=O)(NC(=O)Oc1nc2ccccc2c2ccccc12)n1nnc2cc(-c3cc4ccccc4s3)ccc21,0, 0.12886581179801568),24247,TRUE
CC(N)(/C=C/C=O)N(c1ccn(Cc2cncc(Br)c2)c1)[C@@H](CCC(=O)O)C(=O)C(F)(F)F,0, 0.2596379017259087),24345,TRUE
CCCC1=C(O)OC(c2ccc(CC(/C=C/C=O)N(Cc3cccc(C#N)c3)C(=O)/C=C/c3ccccc3)cc2)CC1=O,0, 0.19374260438637395),24352,TRUE
Cc1csc(Cn2ccc(N3CC4CCCCC4C[C@H]3CC(/C=C/C=O)NC(=O)c3ccc4ccccc4n3)c2)n1,0, 0.19305923128616814),24471,TRUE
[H]N[C@@H](C)C(=O)C(=O)O[C@H]1CCOC1c1cc([H])c(C(C)=O)o1,0, 0.48517459947268793),24597,TRUE
CCOc1ccc2c(c1)nc(OC(=O)/C=C/C(Cc1ccc3cc[nH]c3c1)NC(=O)C(C)C)c1cc(CC=O)ccc12,0, 0.09023609968966874),24779,TRUE
CCc1c(C=O)[nH]c2cc(-c3ccc4c(c3)OCO4)c(C(C)(/C=C/C=O)N(C(=O)c3cnc(C)cn3)C(C)(C)C)cc12,0, 0.207090568155389),24793,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@H](C)NC(=O)/C=C/C(Cc1nc(Cn2cc3c(c2)C(=O)C=CC3=O)cs1)(NCC=O)N(C)C,0, 0.11404942920833966),24835,TRUE
[H]N(C(=O)c1ccc(Cl)s1)[C@@H](C)C(=O)C(=O)Oc1nc2cc(-c3ccccc3N)ccc2c2ccccc12,0, 0.12725993706618438),24849,TRUE
CCC[C@H](Nc1ccc(-c2cncc(Br)c2)c2c1nc(O)c1c(Sc3ccccc3)cccc12)C(=O)C=O,0, 0.10553358152033858),25094,TRUE
Cc1c(OC(C)C)sc(C2(NC(=O)C(=O)[C@H](C)N)CCCCC2)n1,0, 0.7660943753508315),25213,TRUE
CC(/C=C/C(=O)N(C(=O)C(O)N/C(C=O)=C\c1cc(-c2ccccc2)co1)c1ccc(C(=O)CF)o1)NC=O,0, 0.12876672668326783),25276,TRUE
Cc1noc(C)c1-c1cccc2ccc(C(=O)NC(C)(/C=C/C=O)Oc3nc4ccccc4c4ccccc34)nc12,0, 0.10634740578596945),25297,TRUE
CC[C@@H](C=O)Nc1nc(NC(C(=O)C(C)=O)[C@@H](C)O)c(Br)c(N[C@H](C=O)CO)c1OC(C)(N)/C=C/C=O,0, 0.06300757205527822),25640,TRUE
C[C@H](Nc1ccc(C(=O)C(F)F)o1)C(=O)C=O,0, 0.46403340598783815),25689,TRUE
CC(=O)C(=O)C(Nc1cc(-c2cccnc2)cc2c1nc(OC(N)=O)c1ccccc12)[C@@H](C)O,0, 0.2827445208607359),25815,TRUE
CC1(S(=O)(=O)NC(/C=C/C=O)(Cc2cccc([N+](=O)[O-])c2)NC(=O)c2cc3cc(F)ccc3[nH]2)CC1,0, 0.12432445585500697),25850,TRUE
[H]N1CCNC[C@H]1C(N[C@H](C=O)[C@@H](C)O)[C@H](N)C(=O)C=O,0, 0.22968092192891504),25913,TRUE
NC(=O)C[C@@H](C=O)NC(=O)C(=O)[C@H](Cn1nnc2cc(Cc3cccnn3)ccc21)Nc1ccc(Cl)cc1,0, 0.17718938227769884),26060,TRUE
Cc1noc(NC(C)(/C=C/C=O)N(CCC(C)Oc2nc3ccccc3c3ccccc23)C(=O)c2ccco2)c1[N+](=O)[O-],0, 0.04569866496043747),26109,TRUE
CC(C)C(=O)NC(/C=C/C=O)Cc1ccc(Cl)c(Oc2cnc(-c3ccc4c(c3)OCO4)c(Cl)c2)c1Cl,0, 0.2319618229372542),26165,TRUE
CC(/C=C/C=O)N(C(=O)/C=C/c1c(F)cc(Cl)cc1Oc1nc2ccccc2c2ccccc12)C(=O)c1ccc(Cl)o1,0, 0.10133912629343275),26179,TRUE
CC(C)(CC(=O)NC(/C=C/C=O)Cc1c(O)c(Cl)cc(Cl)c1Cl)Oc1nc2ccccc2c2ccccc12,0, 0.09694798588849698),26361,TRUE
CC(C)C(C(=O)NC(C)(/C=C/C=O)Oc1cncc(Br)c1)c1ccc2[nH]c(NC3CCCCC3)cc2c1,0, 0.1481966324998874),26480,TRUE
CC(O)C(C)Nc1c(CN(C(=O)CO)[C@@H](Cc2ccno2)C(=O)C=O)cc(C#N)cc1Sc1ccccc1,0, 0.2190535116732155),26543,TRUE
CC(/C=C/C=O)N(C(=O)/C=C/c1ccccc1)C(=O)c1[nH]c2ccc(Cl)cc2c1Oc1nc2ccccc2c2ccccc12,0, 0.10825701759747662),26634,TRUE
CC[C@H](C)c1cc(O)cc(-c2cc(O)c3c(=O)cc(O)oc3c2)c1C[C@H](Nc1oc2cccc(O)c2c(=O)c1O)C(=O)C=O,0, 0.10263039907103141),26732,TRUE
CC(C)(OC(=O)/C=C/C(Cc1cccc(O)c1)NC(=O)c1cc2cccc(Oc3nc4ccccc4c4ccccc34)c2[nH]1)C(N)=O,0, 0.08146198946535772),26893,TRUE
O=Cc1ccc(-c2cc3c(cc2/C=C/C(=O)NC(/C=C/C(=O)Oc2nc4ccccc4c4ccccc24)Cc2ccnc(S)n2)OCO3)s1,0, 0.04070159983189826),26914,TRUE
CNC(=O)/C=C/C(C)(Nc1ccc(CN2C(=O)C(=O)c3cc(C#N)ccc32)c(O)c1C)Nc1onc(C)c1[N+](=O)[O-],0, 0.09855727097082723),26921,TRUE
CC1CCN(c2cc(Oc3nc4ccccc4c4ccccc34)c(OC(C)(/C=C/C=O)NC(=O)/C=C/c3ccc(Cl)cc3F)cn2)CC1,0, 0.06949484899097459),27194,TRUE
[H]N(C(=O)C(c1cc(=O)c2c(O)cc(-c3cccc(Cl)c3Cl)cc2o1)C(C)C)[C@@H](C)C(=O)C=O,0, 0.37296283988070633),27222,TRUE
C[C@H]1O[C@@H](Oc2cc(C(=O)NC(/C=C/C=O)Cn3[nH]c(=O)c4ccccc4c3=O)nc3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O,0, 0.14080063161954856),27236,TRUE
C[C@H](N)C(=O)C(=O)O[C@H]1CCOC1N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)N,0, 0.24125904650622634),27243,TRUE
C[C@@H](N)CC(=O)NC(C)(/C=C/C=O)N(c1nc(S)[nH]c(=O)c1C#N)[C@H](C(=O)[C@H](C=O)CO)[C@@H](C)O,0, 0.043503208308800334),27530,TRUE
[H]OC(Nc1c(F)cc2cc(C(N)=O)[nH]c2c1[C@@H](C)CC)(C(=O)C(C)=O)[C@@H](C)O,0, 0.33980598129343875),27579,TRUE
CC(=O)NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(Cc1cccc(Cl)c1)c1ccc(/C=C/C=O)cc1,0, 0.08872508836468047),27698,TRUE
Cc1nc(CC(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)NC(=O)C(C)OC(C)(C)C(N)=O)cs1,0, 0.17438432615021351),27803,TRUE
Cc1cc(O)ccc1-c1cc([N+](=O)[O-])c(Oc2nc3ccccc3c3ccccc23)cc1/C=C/C(=O)N[C@@H](C)C(=O)C(N)=O,0, 0.06774389069506326),27838,TRUE
CC(N)/C=C/C(=O)N(C(=O)/C=C/[C@H](C)N)[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)Nc1cnc(S(N)(=O)=O)c(-c2ccc([SH](=O)=O)nc2)c1,0, 0.10078928521225768),27866,TRUE
CC(N)/C=C/C(=O)N(C(=O)[C@@H](N)CCCCN)[C@H](C(=O)C(F)(F)F)C(CC=O)N[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)N,0, 0.0602787207992891),27880,TRUE
Cc1oc(=O)oc1CN(C(=O)/C=C/c1ccccc1-c1c[nH]c2ccccc12)C(C)(/C=C/C=O)c1cc(CC=O)cs1,0, 0.14691527524520173),28139,TRUE
CC(=O)N(C(=O)c1cc2cc(F)c(Nc3ccc(N)cc3)cc2[nH]1)C(C)(/C=C/C=O)Nc1ccc(Cl)cc1,0, 0.09741607619537275),28244,TRUE
Cc1cc(C(=O)NC(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)C(Sc2ccccc2)c2ccc(Cl)cc2Cl)no1,0, 0.07209715607029157),28286,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccc(-c3cccc(C#N)c3)cc12)N(CCC(=O)O)C(=O)c1ccc2ccccc2n1,0, 0.10437972182217252),28517,TRUE
CC(CNC(=O)/C=C/C(C)(NC(=O)OP(=O)(O)O)Oc1cncc(Cl)c1)OCC(C)(C)Oc1nc2ccccc2c2ccccc12,0, 0.06279950144422104),28552,TRUE
C[C@@H](C=O)N(C(C)(/C=C/C=O)NC(=O)C(N)CCC(=O)O)S(=O)(=O)c1cccc(N[C@H](C=O)[C@@H](C)O)n1,0, 0.09444250996498574),28720,TRUE
[H]C[C@H](N)C(=O)C(=O)NC1CCCCC1N1CCCC1,0, 0.724174784452529),28797,TRUE
CC(N)/C=C/C(=O)N/C(C=O)=C\c1occc1N[C@@H](CC(C=O)N[C@H](C=O)CCCC(N)=O)C(=O)C(F)(F)F,0, 0.1250072787909205),28832,TRUE
CC(/C=C/C(=O)Nc1ccccn1)NC(=O)c1cc(-c2ccc3[nH]ccc3c2-c2ccc(O)cc2)c(Cl)s1,0, 0.17305691140669063),28902,TRUE
C[C@H](N)C(=O)C(=O)N[C@H](C=O)CCCC(N)=O,0, 0.34298248771518397),28916,TRUE
CC(C)C[C@H](C=O)NC(=O)/C=C/C(Cc1cc(-n2ccnn2)c2cc(-c3ccccc3)[nH]c2c1)Nc1cncc(Br)c1,0, 0.11764694346930214),28944,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)(NC(=O)C(Cl)=C(Cl)Cl)c1nccs1,0, 0.18100069836915428),29007,TRUE
CC(/C=C/C(=O)Nc1ccccn1)NC(=O)C(C)c1cc2c(cc1Oc1cncc(Cl)c1)OC(c1ccc(F)cc1Cl)O2,0, 0.19348661934184924),29056,TRUE
CC(/C=C/C=O)N(Cc1ccc(Cl)c(Cn2cc3c(c2)C(=O)C=CC3=O)c1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1,0, 0.14584151319969202),29070,TRUE
CC(=O)[C@@H](NC(=O)/C=C/C(C)N)C(CC=O)c1nc(C)sc1Sc1ncc(CCC=O)c(Cc2cccnn2)n1,0, 0.15349471487979827),29168,TRUE
CC(C)CC(=O)N[C@@H](Cc1cc(Nc2ccc(N)cc2)ccn1)C(=O)C(=O)O[Na],0, 0.3287909951966138),29315,TRUE
CC(C)C(=O)NC(C)(/C=C/C=O)c1c(-c2ccc3[nH]ccc3c2Cc2ccccc2)c(-c2ccccc2[N+](=O)[O-])nn1C,0, 0.0854356190405845),29336,TRUE
CC(=O)n1ccc2cc(C(C)[C@@H](C=O)NC(=O)N([C@@H](C)C=O)C(C)(/C=C/C=O)C3CC3c3c[nH]nn3)ccc21,0, 0.28494550519675477),29350,TRUE
CN(C)c1cc2[nH]c(C(=O)NC(C)(/C=C/C(=O)Oc3nc4ccccc4c4ccccc34)c3cc(=O)c4c(O)cc(O)cc4o3)cc2cc1F,0, 0.0854477777593016),29371,TRUE
Nc1ccc(NC(c2nnccc2N)[C@H](NC(=O)[C@@H](N)CO)C(=O)C=O)cc1,0, 0.16472081920445777),29392,TRUE
Cc1cnc(C(=O)N(C(=O)C(C)Cc2c(C)cc(O)cc2-c2cccc(Cl)c2)C(C)/C=C/C=O)cn1,0, 0.3370074260424865),29637,TRUE
CC(/C=C/C(=O)N[C@@H](CC(N[C@H](C=O)[C@H](C)O)C(=O)NC(=O)c1ccco1)C(=O)C(F)(F)F)NCCC(=O)O,0, 0.11147746606761928),29707,TRUE
Cc1cnc(C(=O)NC(C)(/C=C/C=O)c2cccc3[nH]c(Oc4nc5ccccc5c5ccccc45)cc23)cn1,0, 0.1461740821399195),29875,TRUE
Cc1cc(C(=O)N([C@H](C=O)CC(N)=O)C(C)(/C=C/C=O)NC(=O)c2cc(-c3nc4cc[nH]cc-4n3)c(C(F)F)o2)no1,0, 0.12578196395679964),29903,TRUE
CC(/C=C/C(=O)N[C@H](C=O)[C@H](C)CCn1[nH]c(=O)c2ccccc2c1=O)N(C(=O)c1ccc(Cl)s1)C1C(=O)OC[C@@H]1C,0, 0.19168170378427868),29973,TRUE
Cc1cccc2c(OC(=O)/C=C/C(C)NC(=O)Oc3nc4c(C[C@@H](C=O)C[C@@H](C)O)cccc4c4ccccc34)ccnc12,0, 0.0874700754405702),30050,TRUE
CC(C)CC(=O)N(c1cccc(-c2cc(O)c3c(=O)c(O)coc3c2)n1)C(C)(/C=C/C=O)Sc1ncccn1,0, 0.09952274484658659),30057,TRUE
CC(/C=C/C=O)NC(=O)c1ccc(N2C(=O)NCCC2Oc2nc3ccccc3c3cccc(CN4C(=O)C(=O)c5cc(F)ccc54)c23)o1,0, 0.09647263411152081),30148,TRUE
C[C@H](N)[C@@H](O)[C@H](O)[C@@H](N)Cc1ccc(NC(=O)/C=C/C(Cc2cccnc2)NCc2ccn(C)c2)nc1,0, 0.18360401181002436),30253,TRUE
Cc1cc(C(=O)N(C(=O)c2ccco2)C(C)(/C=C/C=O)Oc2cccc3[nH]c(C=O)c(CCCC(=O)O)c23)no1,0, 0.11368758354665338),30379,TRUE
CC(=O)C(=O)C(NC(=O)[C@H]([C@H](C)O)N(C(C)=O)C(=O)/C=C/C(C)(N)c1ccco1)[C@@H](C)O,0, 0.26035713972841185),30498,TRUE
C[C@@H](C=O)NC(N)(/C=C/C(=O)N(C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)C(=O)C(F)(F)F)C(c1ccno1)c1ccc(C=O)o1,0, 0.14405828692572628),30673,TRUE
NC(=O)CN(C=O)[C@@H](CN1C(=O)NCCC1Oc1nc2ccccc2c2ccc(C3CC3)cc12)C(=O)C=O,0, 0.22190925664996874),30736,TRUE
CC[C@H](NC(=O)C(=O)C(C)NC(=O)/C=C/C(C)(N)N([C@@H](CCC(N)=O)C(=O)C(F)(F)F)[C@H]1CO1)C(=O)O,0, 0.07196671797710782),30799,TRUE
O=C(/C=C/C(Cn1[nH]c(=O)c2ccccc2c1=O)NC(=O)c1cc(Oc2nc3ccccc3c3ccccc23)cs1)Oc1ccc(O)cc1,0, 0.07420077611640173),30834,TRUE
CC(=O)N[C@@H](Cc1ccc(/C=C/C=O)c(-c2c(C)cccc2C)c1)C(=O)C=O,0, 0.43564377859691417),31009,TRUE
C=C(C(=O)c1ccc(CC(/C=C/C=O)N(CC)C(=O)/C=C/c2ccc(Cl)cc2F)cc1)C(C)c1ccc(O)c(Cl)c1Cl,0, 0.12449578257863084),31247,TRUE
CC(/C=C/C(=O)OC(C=O)C1(N)CC1CCCC(=O)O)NC(=O)C(=O)[C@H](C)N,0, 0.13965988757043588),31261,TRUE
Cc1cccc(C)c1CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)NC(=O)c1cnccn1,0, 0.18446241658208049),31338,TRUE
C[C@@H](C=O)NC(C)(/C=C/C=O)NC(=O)c1cc(CC(N)(NS(=O)(=O)c2ccccn2)C(=O)C(F)(F)F)co1,0, 0.15139248495537533),31422,TRUE
CC(/C=C/C(=O)N1C(CN2C(=O)C(=O)c3cc(C#N)ccc32)CC(C(=O)O)C1CN1C(=O)C(=O)c2cc(F)ccc21)NC=O,0, 0.23848004426262195),31492,TRUE
CCc1c(NC(C)(C)C(C)NCC=O)c(C(C)(N)/C=C/C(=O)N[C@H](C=O)[C@H](C)O)c(C[C@H](N)C(=O)C(F)(F)F)n1C,0, 0.1199343850783026),31499,TRUE
CC(C)C[C@H](C=O)N(C(=O)/C=C/c1ccc(Cl)cc1F)C(C=O)(OC(C)C)[C@H](O)C(=O)N(C(=O)C(C)C)C(C)/C=C/C=O,0, 0.16703255827134691),31555,TRUE
Cc1noc(C)c1-c1cc(/C=C/C(=O)NC(C)/C=C/C=O)cc(Oc2cccc(Cl)c2Cl)c1[N+](=O)[O-],0, 0.15031037141828607),31632,TRUE
CC(C)C(OC(=O)/C=C/C(C)(NC(=O)C(Oc1ccc(O)cc1)[C@H](O)C=O)c1ccccc1)c1ccc(/C=C/C=O)cc1,0, 0.14340129769611842),31674,TRUE
[H]N(C(C)/C=C/C=O)C(C=O)NC(C)C(=O)C(=O)NC[C@@H](O)C[C@@H](C)C=O,0, 0.1253481215587926),31954,TRUE
CC(=O)N[C@@H](C)C(=O)C(=O)Nc1nc2ccccc2[nH]1,0, 0.709800695968219),31982,TRUE
CCC(=O)NC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)C(OC)c1cncc(C(F)(F)F)c1,0, 0.18517892127550653),32017,TRUE
CC(C)(C(=O)N(c1cncc(Br)c1)C(C)(/C=C/C=O)Oc1ccc(O)cc1)c1ccc(S(N)(=O)=O)nc1,0, 0.21875560028264693),32094,TRUE
CC(=O)[C@H](C)N(C(=O)/C=C/C(C)NC(=O)C(Cl)=C(Cl)Cl)c1nc(C)sc1Oc1nc2ccccc2c2ccccc12,0, 0.1548495919159223),32199,TRUE
Cc1ccc(C(NS(=O)(=O)C2(C)CC2)C(/C=C/C(=O)Oc2nc3ccccc3c3ccc(-c4ccnn4C)cc23)NC=O)nn1,0, 0.09668221857459981),32500,TRUE
CSC(C)(/C=C/C(=O)N(C)c1ccc([SH](=O)=O)nc1)NCc1nc(N)sc1C[C@H](N)[C@@H](C)O,0, 0.16393322166224364),32577,TRUE
Cc1cc(C(=O)N(C=O)C(C)/C=C/C(=O)Oc2nc3cccc(OC(C)(C)C)c3c3ccccc23)no1,0, 0.1503393001980981),32822,TRUE
CCC(=O)NC(C)(/C=C/C(=O)Oc1nc2ccccc2c2ccc(Oc3cncc(Cl)c3)cc12)Oc1ccccc1,0, 0.08843390627517835),32829,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)NC(=O)c1cnc(Nc2ccc(Cl)cc2)cn1,0, 0.15633068089825147),32878,TRUE
N#Cc1cccc(C[C@H](Nc2cc3ccccc3s2)C(=O)C(=O)Oc2nc3ccccc3c3ccccc23)c1,0, 0.14157993381296582),32885,TRUE
Cc1cnc(C(=O)N(C(=O)C(C)C)C(C)/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)c(-c2cc(O)c3c(=O)c(O)coc3c2)n1,0, 0.11973646143309685),33046,TRUE
[H]C[C@H](NCc1cn(C)cc1NC1CC1N[C@@H](C)C(=O)C=O)C(=O)C=O,0, 0.36766085218208433),33214,TRUE
C[C@@H](C(=O)C(N)=O)N(C(=O)CC[C@H](N)C(=O)CF)C(=O)[C@@H](N)CO,0, 0.2961214805702643),33326,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)NC(=O)c1[nH]c2ccccc2c1-c1ccc(N)cc1,0, 0.10069553239991616),33333,TRUE
C[C@H]1O[C@H](C(C)(/C=C/C(=O)Oc2nc3ccccc3c3ccccc23)NC(=O)c2ccc3ccccc3n2)C[C@H]2CCCC[C@@H]21,0, 0.12301238568671637),33466,TRUE
Cc1c(-c2c(Cl)cc(CC(/C=C/C=O)NC(=O)/C=C/c3ccccc3)cc2Nc2ccccc2)ccc2c(O)ccnc12,0, 0.11446234718102889),33501,TRUE
CC(/C=C/C=O)(NC(=O)Oc1nc2ccccc2c2ccccc12)c1nc2ccccc2c2ccc(Nc3cc(Cl)cc(Cl)c3)cc12,0, 0.10072698902553164),33641,TRUE
CC[C@@H](C1=C(O)OCCC1=O)c1nc(C)cnc1C(=O)N(CC)C(C)(/C=C/C=O)Oc1cccc2[nH]c(C=O)cc12,0, 0.1980886979136237),33669,TRUE
O=C/C=C/C(Cc1ccc(Br)cc1)(C1CCC1)N(C(=O)c1cccs1)c1cccc(Cl)c1,0, 0.22637920842284323),33704,TRUE
CCC(C)(C)Nc1ccc(C(C)(c2oc(C=O)cc2-c2occc2O)[C@@H](C=O)NC(=O)C(=O)[C@H](C)N)nc1,0, 0.20329655476344358),33795,TRUE
CCN(C[C@@H](O)[C@H](C)NC(c1cn(C)cc1C[C@@H](N)CC=O)C(Oc1cccnc1)C(=O)O)C(C)/C=C/C=O,0, 0.15915362719823328),33949,TRUE
N[C@@H](Cc1cc2ncnc-2c[nH]1)C(=O)C=O,0, 0.5340864489209453),33984,TRUE
Cc1onc(C(=O)NC(C)(/C=C/C=O)c2ccc(/C=C/C=O)cc2)c1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,0, 0.28541299022169014),34005,TRUE
CC(/C=C/C(=O)Oc1nc2cc(CC=O)ccc2c2cccc(-c3cccc4ccccc34)c12)NC(=O)c1cccs1,0, 0.08989296441917442),34166,TRUE
CC(C)COC(C(=O)N(C(=O)c1cc2cc(Cl)cc(Oc3nc4ccccc4c4ccccc34)c2[nH]1)C(C)/C=C/C=O)C(C)C,0, 0.09032906841054436),34271,TRUE
Cn1ccc(C(C)(/C=C/C=O)NC(=O)/C=C/c2cc3c(cc2Oc2nc4ccccc4c4ccccc24)OCO3)c1,0, 0.1450841433342832),34292,TRUE
CC(/C=C/C(=O)Oc1nc2ccccc2c2ccccc12)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1,0, 0.07984189968383294),34411,TRUE
C#CC[C@H](N)C(=O)NC(O)(C(=O)C(C)=O)[C@@H](C)O,0, 0.23969224092491323),34439,TRUE
NC(=O)COC1CC1C[C@H](N)C(=O)C=O,0, 0.38968548789390794),34460,TRUE
Cc1c(O)cccc1-c1nccnc1C(=O)NC(C)(/C=C/C=O)c1c(-c2ccc(O)cc2)cc(O)c(Cl)c1Cl,0, 0.16128088014084363),34509,TRUE
C[C@H]1O[C@H](C(Oc2nc3ccccc3c3ccccc23)C(/C=C/C=O)N(C=O)C(=O)/C=C/c2ccc3c(c2)OCO3)C[C@H]2CCCC[C@@H]21,0, 0.10695483686057607),34530,TRUE
Cc1cnc(C(=O)N(C(/C=C/C=O)Cc2ccnc3c(C)cccc23)[C@H](C=O)Cc2cc(=O)c3c(O)c([C@H]4CO4)ccc3o2)cn1,0, 0.1296412612057741),34537,TRUE
CCc1ccc2oc(C(c3cccc4[nH]ccc34)C(/C=C/C=O)(NC(=O)C(C)C)c3ccn(C)c3)cc(=O)c2c1O,0, 0.16670615280256346),34642,TRUE
CC(=O)[C@H](CCC=O)N(C(=O)C(=O)[C@H](C)NC(N)=O)C(=O)[C@@H](N)CCCCN,0, 0.16056091305008707),34754,TRUE