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EGFR_compounds_lipinski.csv
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EGFR_compounds_lipinski.csv
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,molecule_chembl_id,IC50,units,smiles,pIC50,molecular_weight,n_hba,n_hbd,logp,ro5_fulfilled
0,CHEMBL63786,0.003,nM,Brc1cccc(Nc2ncnc3cc4ccccc4cc23)c1,11.522878745280336,349.021459484,3,1,5.289100000000002,True
1,CHEMBL35820,0.006,nM,CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC,11.221848749616356,387.05823891599994,5,1,4.933300000000004,True
2,CHEMBL53711,0.006,nM,CN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1,11.221848749616356,343.04325754800004,5,1,3.5969000000000015,True
3,CHEMBL66031,0.008,nM,Brc1cccc(Nc2ncnc3cc4[nH]cnc4cc23)c1,11.096910013008056,339.01195742000004,4,2,4.012200000000001,True
4,CHEMBL53753,0.008,nM,CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,11.096910013008056,329.02760748400004,5,2,3.572600000000002,True
5,CHEMBL176582,0.01,nM,Cn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc21,11.0,353.027607484,5,1,4.0226000000000015,True
6,CHEMBL29197,0.025,nM,COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC,10.602059991327964,359.02693878799994,5,1,4.153100000000003,True
7,CHEMBL174426,0.025,nM,Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc21,10.602059991327964,353.02760748400004,5,1,4.022600000000002,True
8,CHEMBL1243316,0.03,nM,C#CCNC/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cc1OCC,10.522878745280336,477.13678081200004,6,3,4.758780000000003,True
9,CHEMBL363815,0.037,nM,C=CC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1,10.431798275933003,376.029394552,4,2,4.943800000000002,True
10,CHEMBL3613702,0.037,nM,C=CC(=O)Nc1ccc2ncnc(Nc3cc(F)c(Cl)c(Cl)c3)c2c1,10.431798275933003,376.029394552,4,2,4.943800000000001,True
11,CHEMBL275762,0.07,nM,O=C(CCl)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1,10.154901959985745,397.9904222,4,2,4.996600000000002,True
12,CHEMBL327307,0.072,nM,COc1cc2ncnc(Nc3ccc(Br)c(Br)c3)c2cc1OC,10.142667503568733,436.937450856,5,1,4.915600000000003,True
14,CHEMBL53428,0.09,nM,CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1,10.045757490560677,343.04325754800004,5,1,3.5969000000000015,True
15,CHEMBL420624,0.1,nM,Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1,10.0,314.01670845200005,4,2,3.7181000000000015,True
16,CHEMBL55729,0.1,nM,Nc1ccc2cncnc2c1,10.0,145.063997224,3,1,1.212,True
17,CHEMBL190094,0.11,nM,CN(C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1,9.958607314841776,433.087243776,5,2,4.875600000000003,True
18,CHEMBL328216,0.12,nM,Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N,9.920818753952377,329.02760748400004,5,3,3.300300000000001,True
19,CHEMBL193160,0.12,nM,O=C(CCl)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1,9.920818753952377,437.97443668399995,4,2,4.155300000000002,True
20,CHEMBL3930620,0.12,nM,O=C(CCCCCCn1cc(-c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)nn1)NO,9.920818753952377,483.1585788760001,8,3,4.880300000000003,True
21,CHEMBL51853,0.13,nM,Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,9.886056647693165,315.01195742000004,5,2,3.113100000000001,True
22,CHEMBL54400,0.13,nM,CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,9.886056647693165,329.02760748400004,5,2,3.5726000000000013,True
23,CHEMBL3892310,0.13,nM,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1C2COCC21,9.886056647693165,511.178645624,7,2,4.493400000000002,True
24,CHEMBL417478,0.16,nM,C=CC(=O)Nc1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1/C=C/CCN1CCOCC1,9.795880017344077,482.16332990800004,7,2,4.420900000000004,True
25,CHEMBL418967,0.17,nM,CCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC,9.769551078621726,415.08953904399993,5,1,5.713500000000004,True
26,CHEMBL592617,0.17,nM,N#CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,9.769551078621726,381.022522104,5,2,3.988080000000002,True
27,CHEMBL93032,0.17,nM,Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O,9.769551078621726,330.99563865999994,5,3,3.5471000000000017,True
28,CHEMBL166093,0.18,nM,OCC(O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,9.744727494896694,389.0487368520001,7,4,2.2959999999999994,True
29,CHEMBL2031302,0.18,nM,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC,9.744727494896694,386.094581652,5,2,4.6891000000000025,True
30,CHEMBL166154,0.19,nM,CNc1cc2c(Nc3cccc(Cl)c3)ncnc2cn1,9.721246399047171,285.078123064,5,2,3.4635000000000007,True
31,CHEMBL165864,0.19,nM,OCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,9.721246399047171,359.0381721680001,6,3,2.9351000000000003,True
33,CHEMBL437879,0.208,nM,COc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1OC,9.681936665037238,367.02906020399996,5,1,4.836500000000003,True
34,CHEMBL161956,0.22,nM,CN(CCO)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1,9.657577319177792,373.0538222320001,6,2,2.9594000000000005,True
35,CHEMBL2031300,0.23,nM,CN1CCN(CCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1,9.638272163982409,468.12732152,6,2,3.7119000000000018,True
36,CHEMBL127041,0.24,nM,OCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,9.619788758288394,359.038172168,6,3,2.9351000000000003,True
37,CHEMBL316064,0.24,nM,COc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cc1OC,9.619788758288394,349.10381134799997,5,1,4.409400000000002,True
38,CHEMBL52913,0.25,nM,C=CC(=O)Nc1ccc2c(Nc3cccc(Cl)c3)ncnc2c1,9.602059991327964,324.07778871600004,4,2,4.151300000000002,True
39,CHEMBL328955,0.25,nM,Nc1ccc2c(Nc3cccc(Cl)c3)ncnc2c1,9.602059991327964,270.067224032,4,2,3.609000000000001,True
40,CHEMBL3360608,0.26,nM,C#Cc1cccc(Nc2ncnc3cc(OCCCCn4ccnc4[N+](=O)[O-])c(OC)cc23)c1,9.585026652029182,458.170253184,9,1,4.327200000000003,True
41,CHEMBL152905,0.27,nM,Nc1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1,9.568636235841012,369.9887794520001,5,2,4.932800000000002,True
42,CHEMBL3929484,0.27,nM,O=C(CCCCCn1cc(-c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)nn1)NO,9.568636235841012,469.1429288120001,8,3,4.490200000000002,True
43,CHEMBL2031303,0.27,nM,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN(C)C,9.568636235841012,431.15243087600004,6,2,4.454800000000003,True
44,CHEMBL2031298,0.27,nM,O=C(CCN1CCCCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,9.568636235841012,453.116422488,5,2,4.950400000000004,True
45,CHEMBL128468,0.28,nM,O=C(O)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,9.55284196865778,401.048736852,6,3,3.8076000000000016,True
46,CHEMBL355816,0.28,nM,O=C(O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,9.55284196865778,373.0174367240001,6,3,3.027400000000001,True
47,CHEMBL2031297,0.28,nM,CN(C)CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,9.55284196865778,413.08512236,5,2,4.026100000000001,True
48,CHEMBL426580,0.29,nM,Cc1nc2cc3c(Nc4cccc(Br)c4)ncnc3cc2[nH]1,9.537602002101044,353.02760748400004,4,2,4.320620000000002,True
50,CHEMBL2031305,0.29,nM,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCOCC1,9.537602002101044,473.16299556,7,2,4.225400000000003,True
51,CHEMBL4290812,0.3,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCN(C)CC1,9.522878745280336,509.2539232320001,8,2,4.4189000000000025,True
52,CHEMBL3623290,0.3,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C,9.522878745280336,459.147345496,7,1,4.309200000000003,True
53,CHEMBL3357644,0.3,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C(F)=C\CN1CCOCC1,9.522878745280336,489.137923684,7,2,4.298600000000003,True
54,CHEMBL203644,0.3,nM,CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1,9.522878745280336,355.0636158720001,5,2,3.5227000000000013,True
58,CHEMBL3360603,0.31,nM,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCn1ccnc1[N+](=O)[O-],9.508638306165729,486.12185902,9,1,5.138400000000003,True
60,CHEMBL3360606,0.32,nM,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCn1ccnc1[N+](=O)[O-],9.494850021680094,502.11677363999996,10,1,4.374800000000003,True
62,CHEMBL366580,0.34,nM,Brc1cccc(Nc2ncnc3cc4c[nH]nc4cc23)c1,9.468521082957745,339.01195742000004,4,2,4.012200000000001,True
63,CHEMBL163369,0.35,nM,OCCN(CCO)CCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,9.455931955649724,460.1222361400001,8,4,2.6194999999999995,True
64,CHEMBL91980,0.35,nM,Nc1ccc2c(Nc3cccc(I)c3)ncnc2c1,9.455931955649724,362.00284435200007,4,2,3.560200000000001,True
65,CHEMBL603266,0.36,nM,O=C(Cn1sccc1=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,9.443697499232712,455.00515778799996,7,2,3.9978000000000016,True
66,CHEMBL39320,0.37,nM,Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21,9.431798275933003,353.02760748400004,5,1,4.022600000000002,True
68,CHEMBL599863,0.37,nM,O=C(CNC(=O)Oc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,9.431798275933003,491.0593015360001,6,3,4.863000000000003,True
69,CHEMBL3895468,0.37,nM,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC12COCC1C2,9.431798275933003,511.178645624,7,2,4.637500000000003,True
70,CHEMBL2029434,0.38,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C(C)C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,9.42021640338319,556.2910370120001,8,2,4.587200000000004,True
71,CHEMBL2447950,0.38,nM,CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC.Cl,9.42021640338319,379.085432208,5,1,5.246000000000004,True
72,CHEMBL4282543,0.4,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1OCCN1CCN(C)CC1,9.397940008672036,553.28013798,9,2,4.293300000000003,True
73,CHEMBL51741,0.4,nM,C=CC(=O)Nc1ccc2ncnc(N3CCc4ccc(Br)cc43)c2c1,9.397940008672036,394.0429232,4,1,4.211000000000003,True
74,CHEMBL3901622,0.4,nM,C[C@@H](Nc1ncnc2oc(-c3ccc(NCCN(C)C)cc3)cc12)c1ccccc1,9.397940008672036,401.221560484,6,2,5.036400000000004,True
75,CHEMBL3759317,0.4,nM,COc1cc(C(=O)NCCN(C)C)cc(OC)c1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,9.397940008672036,505.2147608520001,8,2,4.840000000000004,True
76,CHEMBL4112924,0.4,nM,CO[C@@H]1COC2C1OC[C@H]2Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,9.397940008672036,557.1841249280001,9,2,3.7822000000000013,True
78,CHEMBL1204199,0.41,nM,CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC.Cl,9.387216143280265,423.03491662799996,5,1,5.355100000000004,True
79,CHEMBL2029429,0.41,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(OC)c4)nc32)c1,9.387216143280265,528.2597368840001,8,2,3.808600000000003,True
80,CHEMBL31815,0.42,nM,C=CC(=O)Nc1ccc2ncnc(Nc3cccc(C)c3)c2c1,9.3767507096021,304.132411132,4,2,3.8063200000000013,True
81,CHEMBL188762,0.43,nM,CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,9.366531544420411,370.0429232,4,2,4.484400000000003,True
82,CHEMBL2029428,0.43,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1,9.366531544420411,498.2491722000001,7,2,3.8000000000000025,True
83,CHEMBL351629,0.44,nM,CN(CC(=O)O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1,9.356547323513812,387.0330867880001,6,2,3.051700000000001,True
84,CHEMBL39337,0.44,nM,Brc1cccc(Nc2ncnc3cc4[nH]ncc4cc23)c1,9.356547323513812,339.01195742,4,2,4.012200000000001,True
85,CHEMBL40734,0.44,nM,Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1,9.356547323513812,338.01670845200005,3,2,4.617200000000001,True
86,CHEMBL443523,0.45,nM,C=CC(=O)Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1,9.346787486224656,368.0272731360001,4,2,4.260400000000002,True
87,CHEMBL304271,0.45,nM,CCN(CC)CC(O)CNC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1,9.346787486224656,541.2004436880001,7,5,3.57442,True
88,CHEMBL162821,0.45,nM,CNc1cc2c(Nc3cccc(C)c3)ncnc2cn1,9.346787486224656,265.13274548,5,2,3.118520000000001,True
89,CHEMBL3360609,0.47,nM,C#Cc1cccc(Nc2ncnc3cc(OCCCCCn4ccnc4[N+](=O)[O-])c(OC)cc23)c1,9.327902142064282,472.185903248,9,1,4.717300000000003,True
90,CHEMBL3818015,0.47,nM,COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1,9.327902142064282,457.03856609199994,7,3,3.1914000000000007,True
91,CHEMBL539822,0.47,nM,Cl.Nc1ccc2c(c1)sc1c(Nc3cccc(Br)c3)ncnc12,9.327902142064282,405.96545716400004,5,2,5.354600000000002,True
92,CHEMBL3355875,0.47,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCn1ccnc1[N+](=O)[O-],9.327902142064282,486.12185902,9,1,5.138400000000003,True
93,CHEMBL54088,0.48,nM,C=CC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cn1,9.318758762624412,305.12766010000007,5,2,3.201320000000001,True
94,CHEMBL3360617,0.49,nM,COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCn1ccnc1[N+](=O)[O-],9.309803919971486,498.06511518800005,9,1,4.718300000000004,True
95,CHEMBL2021576,0.49,nM,O=C(O)[C@H]1O[C@@H]1C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,9.309803919971486,428.01201699600006,6,3,2.9264,True
96,CHEMBL3355881,0.49,nM,C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCn4ccnc4[N+](=O)[O-])cc23)c1,9.309803919971486,472.185903248,9,1,4.717300000000003,True
97,CHEMBL3355882,0.5,nM,C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCn4ccnc4[N+](=O)[O-])cc23)c1,9.30102999566398,486.201553312,9,1,5.107400000000005,True
99,CHEMBL4071474,0.5,nM,C=CC(=O)N1CC[C@H](N2C(=O)N(c3ccccc3Cl)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1,9.30102999566398,586.25715004,7,1,4.667320000000004,True
100,CHEMBL203599,0.5,nM,CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1,9.30102999566398,467.1636642560001,7,2,3.1403000000000016,True
101,CHEMBL2347958,0.5,nM,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1,9.30102999566398,485.16299556,7,2,4.389900000000002,True
102,CHEMBL3758770,0.5,nM,COc1cc(C(=O)NCCN(C)C)ccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,9.30102999566398,475.20419616800007,7,2,4.831400000000004,True
103,CHEMBL2021575,0.5,nM,O=C(O)[C@@H]1O[C@H]1C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,9.30102999566398,428.01201699600006,6,3,2.9264,True
105,CHEMBL3758582,0.5,nM,COc1ccc(C(=O)NCCN(C)C)cc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,9.30102999566398,475.20419616800007,7,2,4.831400000000004,True
106,CHEMBL3901296,0.51,nM,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@@]12COC[C@@H]1C2,9.292429823902063,511.178645624,7,2,4.637500000000003,True
107,CHEMBL2031299,0.51,nM,O=C(CCN1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,9.292429823902063,455.09568704400004,6,2,3.796700000000002,True
109,CHEMBL2031304,0.51,nM,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1,9.292429823902063,471.18373100400004,6,2,5.379100000000005,True
110,CHEMBL126791,0.51,nM,Brc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1,9.292429823902063,423.0807056760001,7,2,4.229600000000001,True
113,CHEMBL49986,0.54,nM,C=CC(=O)Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,9.267606240177033,369.022522104,5,2,3.655400000000002,True
115,CHEMBL3360611,0.54,nM,C#Cc1cccc(Nc2ncnc3cc(OCCOCCn4ccnc4[N+](=O)[O-])c(OC)cc23)c1,9.267606240177033,474.16516780399996,10,1,3.5636000000000028,True
116,CHEMBL165547,0.56,nM,CN(CC(O)CO)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1,9.2518119729938,403.0643869160001,7,3,2.3202999999999996,True
117,CHEMBL3355880,0.56,nM,C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCn4ccnc4[N+](=O)[O-])cc23)c1,9.2518119729938,458.170253184,9,1,4.327200000000003,True
119,CHEMBL3360610,0.57,nM,C#Cc1cccc(Nc2ncnc3cc(OCCCCCCn4ccnc4[N+](=O)[O-])c(OC)cc23)c1,9.244125144327509,486.201553312,9,1,5.107400000000005,True
120,CHEMBL2029435,0.58,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C3CC3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,9.236572006437065,554.2753869480001,8,2,4.341200000000003,True
121,CHEMBL4282954,0.6,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCOCC1,9.221848749616356,496.222288756,8,2,4.503700000000003,True
122,CHEMBL4105621,0.6,nM,C=CC(=O)Nc1cc(Cl)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,9.221848749616356,559.2098655000001,9,2,4.371020000000003,True
123,CHEMBL3891846,0.6,nM,C[C@@H](Nc1ncnc2oc(-c3ccc(NCCN4CCCCC4)cc3)cc12)c1ccccc1,9.221848749616356,441.252860612,6,2,5.960700000000005,True
124,CHEMBL378144,0.6,nM,C#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,9.221848749616356,367.0068720400001,5,2,3.1026000000000016,True
125,CHEMBL127086,0.61,nM,O=C(O)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,9.214670164989233,387.033086788,6,3,3.4175000000000013,True
126,CHEMBL1204262,0.64,nM,CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC.Cl,9.193820026016112,471.021052528,5,1,5.197200000000003,True
127,CHEMBL3920583,0.65,nM,O=C(CCCCCn1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)nn1)NO,9.187086643357144,469.1429288120001,8,3,4.490200000000003,True
128,CHEMBL162622,0.65,nM,Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)c1,9.187086643357144,428.096021392,7,2,3.2750000000000012,True
129,CHEMBL3360607,0.65,nM,C#Cc1cccc(Nc2ncnc3cc(OCCCn4ccnc4[N+](=O)[O-])c(OC)cc23)c1,9.187086643357144,444.15460312,9,1,3.9371000000000027,True
130,CHEMBL3355878,0.66,nM,COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCn1ccnc1[N+](=O)[O-],9.18045606445813,498.065115188,9,1,4.718300000000004,True
131,CHEMBL1204168,0.66,nM,COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC.Cl,9.18045606445813,395.00361649999996,5,1,4.574900000000003,True
132,CHEMBL3814257,0.662,nM,CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,9.1791420105603,330.06836690399996,4,2,4.124300000000002,True
133,CHEMBL3357636,0.67,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C(F)=C\CN1CCCCC1,9.173925197299171,487.158659128,6,2,5.452300000000005,True
134,CHEMBL317925,0.67,nM,COc1cc2ncnc(Nc3cccc(Br)c3)c2c(OC)c1OC,9.173925197299171,389.0375034719999,6,1,4.161700000000003,True
135,CHEMBL2437462,0.677,nM,C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1,9.169411331314857,482.2178720720001,9,2,2.7956000000000003,True
136,CHEMBL2031307,0.68,nM,CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN(C)C,9.167491087293763,455.15243087600004,6,2,4.931480000000004,True
137,CHEMBL92937,0.69,nM,CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N,9.161150909262744,343.04325754800004,5,3,3.759800000000001,True
138,CHEMBL3957055,0.69,nM,O=C(CCCCCCn1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)nn1)NO,9.161150909262744,483.1585788760001,8,3,4.880300000000004,True
139,CHEMBL280757,0.69,nM,C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Br)c3)c2c1,9.161150909262744,386.01785132400005,4,2,4.399500000000002,True
140,CHEMBL3909201,0.7,nM,C=CC(=O)N1CC(Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C1,9.154901959985745,446.09572452400005,6,1,4.0892000000000035,True
142,CHEMBL4279016,0.7,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1,9.154901959985745,592.32742252,9,2,4.883300000000004,True
143,CHEMBL4287401,0.7,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1OCCN1CCOCC1,9.154901959985745,540.248503504,9,2,4.3781000000000025,True
144,CHEMBL4293145,0.7,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1O[C@H]1CCOC1,9.154901959985745,497.206304344,8,2,4.834800000000003,True
145,CHEMBL4294211,0.7,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCC(N2CCOCC2)CC1,9.154901959985745,579.295788044,9,2,4.968100000000004,True
146,CHEMBL4284071,0.71,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2Cl)c1,9.148741651280924,464.17275172,7,3,4.573900000000003,True
147,CHEMBL289213,0.72,nM,CN(CC(=O)O)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12,9.142667503568733,439.06438691600005,5,3,4.133600000000002,True
148,CHEMBL54091,0.72,nM,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Br)c3)ncnc2cn1,9.142667503568733,387.0131002920001,5,2,3.794500000000002,True
149,CHEMBL339416,0.74,nM,[O-][N+]1(CCCNc2cc3ncnc(Nc4cccc(Br)c4)c3cn2)CCOCC1,9.130768280269024,458.10658607600004,7,2,3.6777000000000024,True
150,CHEMBL31373,0.75,nM,C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,9.1249387366083,342.068366904,4,2,4.290400000000002,True
151,CHEMBL28418,0.75,nM,C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1,9.1249387366083,343.06361587200007,5,2,3.6854000000000013,True
152,CHEMBL53555,0.77,nM,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1,9.113509274827518,343.06361587200007,5,2,3.6854000000000013,True
153,CHEMBL3360602,0.77,nM,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCn1ccnc1[N+](=O)[O-],9.113509274827518,472.106208956,9,1,4.748300000000003,True
154,CHEMBL3814882,0.772,nM,O=C(NCCN1CCCCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,9.112382699664265,468.12732152,5,3,4.743300000000003,True
157,CHEMBL162142,0.78,nM,Brc1cccc(Nc2ncnc3cnc(NCCc4c[nH]cn4)cc23)c1,9.10790539730952,409.06505561200004,6,3,3.9086,True
158,CHEMBL53300,0.79,nM,Nc1ccc2ncncc2c1,9.102372908709558,145.063997224,3,1,1.212,True
160,CHEMBL36727,0.8,nM,Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21,9.096910013008056,352.03235851600004,4,1,4.627600000000002,True
163,CHEMBL4087740,0.8,nM,C=CC(=O)Nc1cc(F)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,9.096910013008056,543.2394160400002,9,2,3.856720000000003,True
164,CHEMBL1243345,0.8,nM,CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)CCF,9.096910013008056,499.158659128,6,2,5.437280000000004,True
165,CHEMBL3814959,0.803,nM,NC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1,9.09528445472132,357.022522104,4,3,3.626500000000002,True
166,CHEMBL3360620,0.82,nM,COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCOCCn1ccnc1[N+](=O)[O-],9.086186147616283,528.075679872,10,1,4.344800000000004,True
168,CHEMBL3814211,0.854,nM,NC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,9.068542129310996,331.063615872,4,3,3.656500000000001,True
169,CHEMBL3355874,0.89,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1ccnc1[N+](=O)[O-],9.050609993355089,472.106208956,9,1,4.748300000000003,True
171,CHEMBL96065,0.89,nM,COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC,9.050609993355089,407.01307468799996,5,1,3.9952000000000023,True
172,CHEMBL3233785,0.9,nM,O=C(/C=C/CN1CC2CCC1C(=O)C2)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,9.045757490560677,485.108851812,7,2,4.775500000000003,True
173,CHEMBL3759199,0.9,nM,COc1cccc(OC)c1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2s1,9.045757490560677,407.13036253200005,7,2,4.521000000000002,True
174,CHEMBL3946096,0.9,nM,C=CC(=O)N1CC[C@@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@@H]1C(=O)NC,9.045757490560677,531.148488368,7,2,3.9840000000000027,True
175,CHEMBL205059,0.9,nM,O=C(C#CCCN1CCCCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1,9.045757490560677,452.15276522400006,6,2,4.378800000000003,True
176,CHEMBL3759369,0.9,nM,C[C@@H](Nc1ncnc2sc(-c3cccc(C(=O)NCCN(C)C)c3)cc12)c1ccccc1,9.045757490560677,445.19363148400004,6,2,4.8228000000000035,True
177,CHEMBL3622664,0.9,nM,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CNC1CC1,9.045757490560677,455.15243087600004,6,3,4.811300000000004,True
178,CHEMBL53690,0.91,nM,C=CC(=O)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1,9.040958607678906,358.10414569600005,4,2,4.516700000000002,True
179,CHEMBL338114,0.91,nM,Brc1cccc(Nc2ncnc3cc(NCCc4c[nH]cn4)ncc23)c1,9.040958607678906,409.0650556120001,6,3,3.9086,True
180,CHEMBL126372,0.92,nM,OCC(O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,9.036212172654444,389.048736852,7,4,2.2960000000000003,True
181,CHEMBL165630,0.93,nM,OCCN(CCO)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,9.031517051446064,446.1065860760001,8,4,2.229399999999999,True
182,CHEMBL189779,0.94,nM,CN(C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1,9.0268721464003,473.07125826,5,2,4.034300000000003,True
183,CHEMBL31816,0.95,nM,C=CC(=O)Nc1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,9.022276394711152,373.07418055600004,6,2,3.6940000000000017,True
184,CHEMBL328106,0.96,nM,COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OC,9.017728766960431,359.02693878799994,5,1,4.153100000000003,True
185,CHEMBL31570,0.97,nM,C=CC(=O)Nc1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOC,9.013228265733757,417.100395304,7,2,3.710600000000002,True
186,CHEMBL3655342,1.0,nM,CN(C)C(=O)N1CCN(C/C=C/C(=O)N2CCc3c(sc4ncnc(Nc5ccc(F)c(Cl)c5)c34)C2)CC1,9.0,557.1776000680001,7,1,3.967500000000002,True
188,CHEMBL121954,1.0,nM,Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,9.0,352.083936716,6,4,4.199100000000001,True
189,CHEMBL3678946,1.0,nM,CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)nc21,9.0,484.269907644,8,3,4.7184000000000035,True
190,CHEMBL3741490,1.0,nM,C#Cc1cccc(Nc2ncnc3cc(OCCO)c(OCCOC)cc23)c1,9.0,379.153206152,7,2,2.7510000000000012,True
193,CHEMBL3655350,1.0,nM,CC(C)C(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4cc(O)cc(Cl)c4)c23)C1,9.0,470.15432478400004,6,2,5.917000000000006,True
194,CHEMBL3655340,1.0,nM,CN1CCC[C@H]1/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1,9.0,471.12958725600004,6,1,4.762500000000004,True
195,CHEMBL3655341,1.0,nM,COCCN(C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1)CCOC,9.0,533.166366688,8,1,4.263100000000003,True
196,CHEMBL3674150,1.0,nM,CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3F)nc21,9.0,503.2557348,9,3,3.9257000000000017,True
198,CHEMBL153573,1.0,nM,Nc1cc2sc3c(Nc4cccc(Br)c4)ncnc3c2cc1F,9.0,387.97935764000005,5,2,5.071900000000001,True
199,CHEMBL3655347,1.0,nM,CC(C)N(C)C/C=C/C(=O)N1CCc2c(oc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1,9.0,457.16808094000004,6,1,4.540000000000004,True
200,CHEMBL271705,1.0,nM,Clc1cc(Nc2ncnc3[nH]nc(OCCN4CCOCC4)c23)ccc1OCc1ccccn1,9.0,481.162915308,9,2,3.4349000000000016,True
201,CHEMBL3416592,1.0,nM,COc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2s1,9.0,377.11979784800013,6,2,4.512400000000002,True
202,CHEMBL4126630,1.0,nM,C=CC(=O)Nc1cccc(-n2c(=O)n(C(C)C)c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)c1,9.0,554.2753869480002,10,2,3.451620000000002,True
203,CHEMBL3655338,1.0,nM,CC(C)(CN1CCOCC1)NC/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1,9.0,558.1980011640001,8,2,4.368700000000002,True
204,CHEMBL415738,1.0,nM,Cc1cccc(Nc2cc(NCCO)ncn2)c1,9.0,244.132411132,5,3,1.9328199999999995,True
205,CHEMBL310853,1.0,nM,c1csc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)c1,9.0,347.055089416,4,2,6.2497000000000025,True
207,CHEMBL431977,1.0,nM,NC(=O)C1CCN(Cc2ccc(-c3cc4nccc(Nc5ccc6[nH]ccc6c5)c4s3)cc2)CC1,9.0,481.19363148400004,5,3,5.885500000000004,True
208,CHEMBL76751,1.0,nM,c1csc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1,9.0,348.05033838400004,5,2,5.644700000000002,True
209,CHEMBL308498,1.0,nM,CC(C)(CO)NCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1,9.0,443.17798142000004,6,4,5.443700000000003,True
211,CHEMBL165574,1.0,nM,Brc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)cc23)c1,9.0,442.111671456,7,2,3.6651000000000016,True
212,CHEMBL30432,1.0,nM,CN(C)c1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1,9.0,395.1858436720001,7,1,4.232400000000002,True
213,CHEMBL4095447,1.0,nM,C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc4ccccc34)c3c(N)ncnc32)C1,9.0,398.18550932400007,6,1,3.5782000000000016,True
215,CHEMBL3655336,1.0,nM,O=C(/C=C/CN1CCCOCC1)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1,9.0,501.1401519400001,7,1,4.390600000000004,True
216,CHEMBL312753,1.0,nM,OCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1,9.0,372.10448213200004,5,3,5.075500000000003,True
218,CHEMBL213007,1.0,nM,COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OC1CCN(S(C)(=O)=O)CC1,9.0,480.10343208399996,7,1,3.977300000000003,True
219,CHEMBL4090601,1.0,nM,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc4ccccc4c3)c3c(N)ncnc32)C1,9.0,398.18550932400007,6,1,3.5782000000000016,True
220,CHEMBL79215,1.0,nM,c1ccc(NCCN(c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)n2cccc2)cc1,9.0,465.173564736,7,3,6.099500000000004,True
221,CHEMBL2031296,1.01,nM,CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.995678626217357,356.027273136,4,2,4.094300000000001,True
222,CHEMBL1204305,1.05,nM,COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC.Cl,8.978810700930062,442.9897524,5,1,4.4170000000000025,True
223,CHEMBL3814956,1.06,nM,O=C(NCCN1CCCCC1)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,8.97469413473523,442.168415288,5,3,4.773300000000003,True
224,CHEMBL3818547,1.06,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1,8.97469413473523,431.07965986,7,3,3.221400000000001,True
225,CHEMBL2437469,1.07,nM,C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.97061622231479,512.2284367560001,10,2,2.8042000000000007,True
226,CHEMBL3355879,1.08,nM,C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCn4ccnc4[N+](=O)[O-])cc23)c1,8.96657624451305,444.15460312,9,1,3.9371000000000027,True
227,CHEMBL4099329,1.1,nM,COc1ccc(N(C)c2nc(N)nc3c(Cc4ccccc4)c[nH]c23)cc1,8.958607314841775,359.17461029200007,5,2,3.9074000000000018,True
228,CHEMBL4209019,1.1,nM,CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCC(CO)CC5)nc(Nc5ccc(F)cc5)nc4cn3)nc2)CC1,8.958607314841775,571.3183350560001,10,3,4.785200000000004,True
229,CHEMBL3960853,1.1,nM,C[C@@H](Nc1ncnc2oc(-c3ccc(NCCN4CCOCC4)cc3)cc12)c1ccccc1,8.958607314841775,443.232125168,7,2,4.807000000000004,True
231,CHEMBL3970231,1.1,nM,C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)CC1,8.958607314841775,474.12702465200005,6,1,4.869400000000004,True
232,CHEMBL165788,1.1,nM,CNc1cc2c(Nc3cccc(C(F)(F)F)c3)ncnc2cn1,8.958607314841775,319.104480044,5,2,3.8289000000000017,True
233,CHEMBL264382,1.1,nM,Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c21,8.958607314841775,602.2753869480002,8,4,4.4144200000000025,True
234,CHEMBL437890,1.1,nM,CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Br)c4)ncnc3cn2)CC1,8.958607314841775,511.11314867600015,7,2,3.2494000000000014,True
235,CHEMBL162034,1.1,nM,CN(C)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,8.958607314841775,386.0854567080001,6,2,3.5044000000000004,True
236,CHEMBL358934,1.1,nM,CCO.CNc1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1,8.958607314841775,430.0462943280001,6,3,5.390900000000002,True
237,CHEMBL4206716,1.1,nM,CN1CCN(c2ccc(Nc3cc4c(N5CCCCC5)nc(Nc5ccccc5)nc4cn3)nc2)CC1,8.958607314841775,495.28589205600014,9,2,4.649100000000003,True
238,CHEMBL3655337,1.1,nM,O=C(/C=C/CN1C2CCC1CC2)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1,8.958607314841775,497.1452373200001,6,1,5.295100000000005,True
239,CHEMBL296168,1.1,nM,C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2n1,8.958607314841775,369.022522104,5,2,3.655400000000002,True
240,CHEMBL3663925,1.1,nM,C=CC(=O)N1CCC(c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(C)c3)c(C(N)=O)nc2CC)CC1,8.958607314841775,574.3743727120001,8,2,3.2981200000000026,True
242,CHEMBL3663926,1.1,nM,C=CC(=O)Nc1cccc(Oc2cnc(C(N)=O)c(Nc3ccc(N4CCN(C)CC4)cc3)n2)c1,8.958607314841775,473.2175377240001,8,3,2.987700000000001,True
243,CHEMBL2032376,1.16,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.935542010773082,528.2597368840001,8,2,3.808600000000003,True
245,CHEMBL3663934,1.2,nM,CCC(=O)N1CC[C@@H](Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)c(C(N)=O)nc2CC)C1,8.920818753952375,481.28013798000006,8,2,2.0229999999999997,True
246,CHEMBL166358,1.2,nM,CN(C)CCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,8.920818753952375,400.1011067720001,6,2,3.8945000000000016,True
247,CHEMBL69358,1.2,nM,CCN(CC)CCNC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1,8.920818753952375,511.1898790040001,6,4,4.213520000000002,True
248,CHEMBL3663927,1.2,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)c(N4CCN(C)CC4)c3)c(C(N)=O)nc2CC)c1,8.920818753952375,531.259402536,9,3,3.558700000000001,True
249,CHEMBL3622639,1.2,nM,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,8.920818753952375,473.16299556000007,7,2,4.2474000000000025,True
250,CHEMBL153206,1.2,nM,COc1ccc2[nH]c3ncnc(Nc4cccc(Br)c4)c3c2c1,8.920818753952375,368.027273136,4,2,4.625800000000003,True
251,CHEMBL3663923,1.2,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)c(C(N)=O)nc2CC)c1C,8.920818753952375,515.264487916,8,3,3.858520000000002,True
252,CHEMBL162223,1.2,nM,Brc1cccc(Nc2ncnc3cnc(NCCc4ccccn4)cc23)c1,8.920818753952375,420.06980664400004,6,2,4.580500000000002,True
253,CHEMBL53665,1.2,nM,C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Br)c3)c2n1,8.920818753952375,387.0131002920001,5,2,3.794500000000002,True
254,CHEMBL4288246,1.2,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN1CCOCC1,8.920818753952375,553.28013798,9,2,4.435500000000003,True
255,CHEMBL3663936,1.2,nM,C=CC(=O)N1CCC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(C)c3)c(C(N)=O)nc2CC)C1,8.920818753952375,590.3692873320001,9,2,2.961920000000002,True
256,CHEMBL3622645,1.2,nM,C#Cc1cccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)/C=C/CN(C)C)cc23)c1,8.920818753952375,457.211389724,7,2,3.578700000000002,True
257,CHEMBL3622632,1.2,nM,C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(NC(=O)/C=C/CN(C)C)cc23)c1,8.920818753952375,445.211389724,7,2,3.436200000000002,True
258,CHEMBL127058,1.2,nM,OCCN(CCO)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.920818753952375,460.1222361400001,8,4,2.6194999999999995,True
259,CHEMBL4091276,1.2,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)C(C)C5)cc4OC)nc32)c1,8.920818753952375,539.264487916,9,2,4.106120000000003,True
260,CHEMBL598007,1.24,nM,O=C(Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)[C@@H]1O[C@H]1CN1CCCCC1,8.906578314837764,481.111337108,6,2,4.327700000000003,True
261,CHEMBL153525,1.24,nM,Brc1cccc(Nc2ncnc3ccc4cc[nH]c4c23)c1,8.906578314837764,338.01670845200005,3,2,4.617200000000001,True
262,CHEMBL2441568,1.29,nM,Fc1ccc(Nc2ncnc3cc4c(cc23)NCCO4)cc1Cl,8.88941028970075,330.06836690399996,5,2,3.970200000000002,True
263,CHEMBL161895,1.3,nM,Cc1cccc(Nc2ncnc3cnc(NCCc4c[nH]cn4)cc23)c1,8.886056647693163,345.17019360800003,6,3,3.4545200000000014,True
264,CHEMBL3545154,1.3,nM,C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1,8.886056647693163,490.09747411200004,6,1,5.383700000000005,True
265,CHEMBL3752363,1.3,nM,C=CC(=O)Nc1cccc(-n2c(=O)c(C)cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.886056647693163,525.2488378520001,9,2,3.717620000000003,True
266,CHEMBL3663930,1.3,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3cnn(C4CCN(C)CC4)c3)c(C(N)=O)nc2C(C)C)c1,8.886056647693163,504.25973688400006,9,3,3.8225000000000016,True
267,CHEMBL3916927,1.3,nM,C=CC(=O)N1CC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1,8.886056647693163,428.105146336,6,1,3.9501000000000026,True
268,CHEMBL3663921,1.3,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)c(C(N)=O)nc2CC)c1,8.886056647693163,501.24883785200007,8,3,3.5501000000000014,True
270,CHEMBL3663933,1.3,nM,C=CC(=O)N1CCC(c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)CC1,8.886056647693163,560.358722648,8,2,2.989700000000002,True
271,CHEMBL203661,1.3,nM,O=C(C#CCCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1,8.886056647693163,454.13202978000004,7,2,3.225100000000001,True
272,CHEMBL3663935,1.3,nM,C=CC(=O)N1CCC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1,8.886056647693163,576.353637268,9,2,2.653500000000002,True
273,CHEMBL176891,1.32,nM,CN(C)CCn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc21,8.87942606879415,410.085456708,6,1,4.047200000000003,True
275,CHEMBL3972316,1.39,nM,C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cccc(C)c32)C1,8.856985199745905,470.1929607,4,1,5.355420000000004,True
276,CHEMBL4286318,1.4,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,8.853871964321762,511.2695732960001,8,2,4.664900000000003,True
277,CHEMBL3663922,1.4,nM,CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1Oc1cccc(NC(=O)/C=C/CN(C)C)c1,8.853871964321762,558.306687076,9,3,3.481900000000002,True
278,CHEMBL3663928,1.4,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(CC)CC4)cc3)c(C(N)=O)nc2CC)c1,8.853871964321762,515.264487916,8,3,3.9402000000000017,True
279,CHEMBL127082,1.4,nM,CNc1cc2ncnc(Nc3cccc(C)c3)c2cn1,8.853871964321762,265.13274548,5,2,3.118520000000001,True
280,CHEMBL202411,1.4,nM,O=C(C#CCO)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,8.853871964321762,370.063281524,5,3,3.1001000000000003,True
281,CHEMBL128467,1.4,nM,O=S(=O)(O)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.853871964321762,423.00007240800005,7,3,2.8306000000000004,True
282,CHEMBL2138625,1.4,nM,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC(C)(C)N1CCN(C)CC1,8.853871964321762,506.19971541600006,6,2,4.667900000000004,True
283,CHEMBL4086000,1.4,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)nc4)nc32)c1,8.853871964321762,496.2335221360001,9,2,3.104020000000001,True
284,CHEMBL3929060,1.4,nM,C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@H]1C(N)=O,8.853871964321762,517.1328383040001,7,2,3.723300000000002,True
285,CHEMBL3655344,1.4,nM,CC(C)N(C)C/C=C/C(=O)N1Cc2sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2C1,8.853871964321762,475.10003671600003,6,1,5.480300000000005,True
286,CHEMBL1916891,1.4,nM,Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12,8.853871964321762,432.2073876400001,6,1,4.154220000000003,True
288,CHEMBL3932784,1.4,nM,C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@H]1C(=O)NCCSC,8.853871964321762,591.151859496,8,2,4.717200000000004,True
290,CHEMBL3814320,1.43,nM,O=C(NCCN1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.844663962534938,470.10658607600004,6,3,3.589600000000001,True
292,CHEMBL2031306,1.46,nM,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cc1OCC,8.835647144215564,410.09458165200004,5,2,5.165780000000003,True
293,CHEMBL2032380,1.47,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CCCN(C)CC5)cc4OC)nc32)c1,8.832682665251824,542.2753869480001,8,2,4.198700000000003,True
294,CHEMBL3759359,1.5,nM,COc1c(CO)cccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,8.823908740944319,391.13544791200013,6,2,5.032300000000004,True
295,CHEMBL3663924,1.5,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)c(C(N)=O)nc2C(C)C)c1,8.823908740944319,515.264487916,8,3,4.111100000000002,True
296,CHEMBL3663937,1.5,nM,C=CC(=O)Nc1ccc(F)c(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)c(C(N)=O)nc2CC)c1,8.823908740944319,519.23941604,8,3,3.6892000000000014,True
298,CHEMBL338175,1.5,nM,O=C(O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.823908740944319,373.017436724,6,3,3.027400000000001,True
299,CHEMBL165508,1.5,nM,Brc1cccc(Nc2ncnc3cnc(NCc4cccnc4)cc23)c1,8.823908740944319,406.05415658000004,6,2,4.538000000000001,True
300,CHEMBL204638,1.5,nM,O=C(C#CCCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Br)c3)ncnc2cn1,8.823908740944319,498.0815142000001,7,2,3.334200000000001,True
301,CHEMBL3919609,1.5,nM,C[C@@H](Nc1ncnc2oc(-c3ccc(O)cc3)cc12)c1ccccc1,8.823908740944319,331.132076784,5,2,4.768500000000003,True
302,CHEMBL3759480,1.5,nM,COc1cc(C(N)=O)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2s1,8.823908740944319,420.1256115000001,7,3,3.6113000000000017,True
303,CHEMBL31656,1.5,nM,C=CC(=O)Nc1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1,8.823908740944319,486.158244528,8,2,3.786500000000002,True
304,CHEMBL27688,1.5,nM,C=CC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cc1OCCCN1CCOCC1,8.823908740944319,447.227039788,7,2,3.907420000000003,True
305,CHEMBL165731,1.5,nM,Cc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)c1,8.823908740944319,364.20115938799995,7,2,2.820920000000001,True
306,CHEMBL3939913,1.51,nM,Cc1cccc2nc(NC(=O)c3ccnc(C(F)(F)F)c3)n([C@@H]3CCCCN(C(=O)/C=C/CN(C)C)C3)c12,8.821023052706831,528.2460588920001,6,1,4.682220000000004,True
307,CHEMBL4071827,1.52,nM,C=CC(=O)Nc1cccc(-c2c[nH]c3nccc(-c4[nH]c(CCCO)nc4-c4ccc(F)cc4)c23)c1,8.818156412055227,481.191403228,4,4,5.475500000000005,True
309,CHEMBL202360,1.6,nM,C#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.795880017344075,366.011623072,4,2,3.707600000000001,True
310,CHEMBL4085842,1.6,nM,C=CC(=O)Nc1cc(Nc2cc(-c3cn(C)c4ccccc34)ncn2)c(OC)cc1N(C)CCN(C)C,8.795880017344075,499.2695732960001,8,2,4.509800000000003,True
312,CHEMBL3898690,1.6,nM,C=CC(=O)N1CC(Oc2cc3c(Nc4cccc(Cl)c4)ncnc3cc2OC)C1,8.795880017344075,410.11456814800005,6,1,3.8110000000000017,True
314,CHEMBL416611,1.6,nM,OCC(O)Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21,8.795880017344075,412.0534878840001,6,3,3.4438000000000013,True
316,CHEMBL53637,1.6,nM,C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1,8.795880017344075,324.077788716,4,2,4.151300000000002,True
317,CHEMBL297968,1.6,nM,C=CC(=O)Nc1ccc2c(Nc3cccc(C)c3)ncnc2c1,8.795880017344075,304.132411132,4,2,3.8063200000000013,True
318,CHEMBL516979,1.66,nM,COC[C@H]1Oc2cc3ncnc(Nc4cccc(I)c4)c3cc2O[C@@H]1COC,8.779891911959945,493.04985411999996,7,1,3.779200000000002,True
320,CHEMBL3663932,1.7,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C(N)=O)nc2CC)c1,8.769551078621726,515.264487916,8,3,3.938600000000002,True
321,CHEMBL32079,1.7,nM,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCCCO,8.769551078621726,474.14701114799993,7,3,4.458300000000004,True
322,CHEMBL1089524,1.7,nM,CN(C)CCCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1,8.769551078621726,426.10552345600007,4,2,5.021200000000004,True
323,CHEMBL32844,1.7,nM,C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCN1CCN(C)CC1,8.769551078621726,524.153536268,7,2,4.2767000000000035,True
324,CHEMBL173498,1.7,nM,Brc1cccc(Nc2ncnc3cc4nccnc4cc23)c1,8.769551078621726,351.01195742000004,5,1,4.079100000000001,True
325,CHEMBL4126810,1.7,nM,CN1CCN(c2ccc(Nc3cc4c(N[C@H]5CCCN(C)C5)nc(Nc5ccccc5)nc4cn3)nc2)CC1,8.769551078621726,524.3124411520001,10,3,4.164900000000003,True
326,CHEMBL162981,1.7,nM,Brc1cccc(Nc2ncnc3cnc(NCCCn4ccnc4)cc23)c1,8.769551078621726,423.08070567600004,7,2,4.229600000000001,True
327,CHEMBL203645,1.7,nM,CCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1,8.769551078621726,383.0949160000001,5,2,4.302900000000003,True
328,CHEMBL204085,1.7,nM,O=C(C#CCCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,8.769551078621726,453.13678081200004,6,2,3.8301000000000016,True
329,CHEMBL166255,1.7,nM,CN(CCO)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,8.769551078621726,416.09602139200007,7,3,2.8669000000000002,True
330,CHEMBL4086056,1.79,nM,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,8.747146969020108,522.1681405159999,10,5,1.702599999999999,True
331,CHEMBL3663931,1.8,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C(N)=O)nc2CC)c1,8.744727494896694,515.264487916,8,3,3.938600000000002,True
332,CHEMBL67003,1.8,nM,Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c21,8.744727494896694,560.2284367560002,8,3,4.219820000000002,True
333,CHEMBL4078120,1.8,nM,C=CC(=O)Nc1cc(C)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.744727494896694,539.264487916,9,2,4.026040000000003,True
334,CHEMBL4064475,1.8,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4cnn(C5CCN(C)CC5)c4)nc32)c1,8.744727494896694,484.2335221360001,9,2,3.420420000000002,True
335,CHEMBL4095439,1.8,nM,C=CC(=O)Nc1cc(Br)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.744727494896694,603.1593499200002,9,2,4.480120000000003,True
336,CHEMBL356850,1.8,nM,Brc1cccc(Nc2ncnc3c2sc2ccccc23)c1,8.744727494896694,354.97788041999996,4,1,5.350600000000002,True
337,CHEMBL3985465,1.8,nM,C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@H]1C(=O)NCCO,8.744727494896694,561.1590530520001,8,3,3.346500000000002,True
338,CHEMBL251125,1.8,nM,CCOc1cc2ncnc(C#Cc3c[nH]nc3-c3ccc(F)cc3)c2cc1OCC,8.744727494896694,402.149204068,5,1,4.356200000000004,True
339,CHEMBL3622617,1.8,nM,C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(NC(=O)C=C)cc23)c1,8.744727494896694,388.15354049999996,6,2,3.504400000000002,True
340,CHEMBL349070,1.8,nM,CN(C)CCCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,8.744727494896694,414.1167568360001,6,2,4.284600000000003,True
341,CHEMBL162508,1.8,nM,Cc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)cc23)c1,8.744727494896694,378.21680945199995,7,2,3.2110200000000013,True
342,CHEMBL382073,1.8,nM,CCN(CC)CCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,8.744727494896694,439.157516256,5,2,4.839700000000004,True
343,CHEMBL27685,1.8,nM,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Br)c3)ncnc2cc1OCCCN1CCOCC1,8.744727494896694,529.11247998,7,2,4.500600000000004,True
344,CHEMBL1243283,1.81,nM,CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CNCc1cn(CCF)nn1,8.742321425130816,566.17570616,9,3,4.8867800000000035,True
345,CHEMBL3815163,1.81,nM,S=C(NCCN1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.742321425130816,486.08374245600004,6,3,3.754500000000001,True
346,CHEMBL2048903,1.9,nM,OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ncc45)c(Cl)c3)c21,8.721246399047171,420.11015146400007,7,3,4.489200000000003,True
349,CHEMBL126623,1.9,nM,Brc1cccc(Nc2ncnc3cc(NCCCN4CCOCC4)ncc23)c1,8.721246399047171,442.11167145600007,7,2,3.6651000000000016,True
350,CHEMBL31276,1.9,nM,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(C#N)cnc2cn1,8.721246399047171,450.08037132800007,6,2,4.063880000000002,True
351,CHEMBL2029432,1.95,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4C)nc32)c1,8.709965388637482,512.2648222640001,7,2,4.108420000000003,True
352,CHEMBL596754,1.99,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1SCCCCCCC(=O)NO,8.701146923590294,478.124167528,7,3,5.722500000000004,True
353,CHEMBL218677,2.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(N)=O)CC1,8.698970004336019,459.147345496,7,2,3.503000000000002,True
354,CHEMBL31622,2.0,nM,C=CC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cc1OCCCN1CCN(C)CC1,8.698970004336019,460.25867426400004,7,2,3.8226200000000023,True
355,CHEMBL3758351,2.0,nM,COc1cc(CO)ccc1-c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.698970004336019,415.0557536200001,6,2,5.395300000000003,True
356,CHEMBL418909,2.0,nM,CC(=O)NCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1,8.698970004336019,455.17798142000004,5,4,5.4139000000000035,True
357,CHEMBL387265,2.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(S(C)(=O)=O)CC1,8.698970004336019,480.10343208399996,7,1,3.977300000000003,True
358,CHEMBL4094959,2.0,nM,C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(C)c4ccccc34)c3c(N)ncnc32)C1,8.698970004336019,401.1964083560001,7,1,2.9167000000000005,True
359,CHEMBL3647422,2.0,nM,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/[C@H]1CCCN1C,8.698970004336019,499.17864562400007,7,2,4.780000000000004,True
360,CHEMBL4103201,2.0,nM,C=CC(=O)N1CCC[C@@H](n2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc32)C1,8.698970004336019,388.17600726000006,7,2,2.3013000000000003,True
361,CHEMBL3674148,2.0,nM,CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3)nc21,8.698970004336019,537.216762448,9,3,4.579100000000004,True
362,CHEMBL126192,2.0,nM,CCOc1cc2ncnc(Nc3cccc(-c4nccs4)c3)c2cc1OCC,8.698970004336019,392.13069687999996,7,1,5.294300000000003,True
363,CHEMBL3040861,2.0,nM,c1ccc(-c2cccc(Nc3ncnc4cc5c(cc34)OCO5)c2)cc1,8.698970004336019,341.11642672,5,1,4.769100000000003,True
364,CHEMBL3950549,2.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C(C)C)C(C)C,8.698970004336019,485.19938106800004,6,2,5.788000000000006,True
365,CHEMBL93966,2.0,nM,Nc1ccc2c(Nc3cccc(F)c3)ncnc2c1,8.698970004336019,254.096774572,4,2,3.0947000000000005,True
366,CHEMBL3758278,2.0,nM,COc1cc(C(N)=O)ccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,8.698970004336019,404.1306968800001,6,2,4.638900000000002,True
367,CHEMBL3758376,2.0,nM,CN(C)CCNC(=O)c1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3s2)cc1,8.698970004336019,461.18854610400007,7,3,3.795200000000003,True
368,CHEMBL3758800,2.0,nM,C[C@@H](Nc1ncnc2sc(-c3ccc(C(=O)NCCN(C)C)cc3)cc12)c1ccccc1,8.698970004336019,445.19363148400004,6,2,4.822800000000004,True
369,CHEMBL3759961,2.0,nM,COc1cccc(OC)c1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,8.698970004336019,391.13544791200013,6,1,5.548600000000004,True
370,CHEMBL56936,2.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN(C)C,8.698970004336019,433.16808094000004,7,2,3.704500000000002,True
371,CHEMBL3968417,2.0,nM,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1,8.698970004336019,400.12146509600007,6,2,3.6172000000000004,True
372,CHEMBL310740,2.0,nM,OCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1,8.698970004336019,414.15143232400004,5,4,5.270100000000003,True
373,CHEMBL3233795,2.0,nM,O=C(/C=C/CN1CCC2(CC1)OCCO2)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.698970004336019,503.11941649600004,8,2,4.5610000000000035,True
374,CHEMBL94062,2.0,nM,O=C(C#CCO)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.698970004336019,396.022187756,5,3,3.070100000000001,True
375,CHEMBL250132,2.0,nM,C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12,8.698970004336019,507.167331992,8,2,4.2188000000000025,True
376,CHEMBL3952953,2.0,nM,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/[C@@H]1CCCN1C,8.698970004336019,499.17864562400007,7,2,4.780000000000004,True
378,CHEMBL3961553,2.0,nM,OC[C@@H](Nc1ncnc2oc(-c3ccc(O)cc3)cc12)c1ccccc1,8.698970004336019,347.126991404,6,3,3.7409000000000026,True
379,CHEMBL3233779,2.0,nM,COC(CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1)OC,8.698970004336019,479.119416496,8,2,4.272800000000002,True
380,CHEMBL4068047,2.0,nM,C=CC(=O)Nc1cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)cc(C(F)(F)F)c1,8.698970004336019,593.23622248,9,2,4.736420000000004,True
381,CHEMBL3928512,2.0,nM,C[C@@H](Nc1ncnc2oc(-c3ccccc3O)cc12)c1ccccc1,8.698970004336019,331.132076784,5,2,4.768500000000004,True
382,CHEMBL3655339,2.0,nM,O=C(/C=C/[C@@H]1CCCN1)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1,8.698970004336019,457.11393719200004,6,2,4.420300000000003,True
383,CHEMBL3898077,2.0,nM,C=C(CN(C)C)C(=O)N1CC(Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C1,8.698970004336019,503.153573748,7,1,4.021000000000002,True
384,CHEMBL213874,2.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCC1CCN(C)CC1,8.698970004336019,430.157181908,6,1,4.895100000000004,True
385,CHEMBL587723,2.0,nM,CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1,8.698970004336019,440.2688450240001,5,2,4.935500000000003,True
386,CHEMBL2087360,2.0,nM,Fc1ccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)cc1Cl,8.698970004336019,419.10481198799994,7,1,3.9703000000000035,True
387,CHEMBL3545308,2.0,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1,8.698970004336019,555.220572416,8,3,4.784200000000004,True
388,CHEMBL2087361,2.0,nM,C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1,8.698970004336019,391.15320615199994,7,1,3.1591000000000014,True
389,CHEMBL3604943,2.0,nM,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCN(C)CC1,8.698970004336019,497.2539232320001,8,2,4.2638000000000025,True
391,CHEMBL3671486,2.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCNC(=O)CN(C)C,8.698970004336019,544.1233790120001,7,3,3.8462000000000023,True
392,CHEMBL3671496,2.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(=O)NCC,8.698970004336019,516.0920788840001,6,4,4.097400000000003,True
393,CHEMBL3671498,2.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(=O)CN(C)C,8.698970004336019,530.107728948,7,3,3.456100000000002,True
394,CHEMBL3678960,2.0,nM,C=CC(=O)Nc1cccc(Nc2ncc3nc(Nc4ccccc4)n(C(C)C)c3n2)c1,8.698970004336019,413.19640835600006,7,3,5.018900000000003,True
395,CHEMBL2419760,2.0,nM,Cl.c1ccc(-c2cccc(Nc3ncnc4cc5c(cc34)OCO5)c2)cc1,8.698970004336019,377.0931044319999,5,1,5.190900000000002,True
396,CHEMBL332906,2.0,nM,Nc1ccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,8.698970004336019,336.089022096,5,3,3.999100000000001,True
398,CHEMBL3806248,2.0,nM,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2c1OCCO2,8.698970004336019,375.07859723999997,6,1,4.3358000000000025,True
399,CHEMBL3671491,2.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(C)=O,8.698970004336019,487.06552978800005,6,3,3.9144000000000023,True
401,CHEMBL2087358,2.0,nM,Clc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1,8.698970004336019,401.1142337999999,7,1,3.8312000000000026,True
402,CHEMBL214798,2.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C)CC1,8.698970004336019,416.141531844,6,1,4.6475000000000035,True
403,CHEMBL3930316,2.0,nM,CCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,8.698970004336019,374.094581652,5,2,4.523000000000003,True
404,CHEMBL2031309,2.02,nM,CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCOCC1,8.694648630553376,497.16299556,7,2,4.702080000000003,True
405,CHEMBL3815074,2.04,nM,C#Cc1cccc(Nc2ncnc3ccc(NC(C)=O)cc23)c1,8.6903698325741,302.116761068,4,2,3.3131000000000013,True
406,CHEMBL155278,2.1,nM,Cc1cccc(Nc2ncnc3c2sc2ccc(N)cc23)c1,8.67778070526608,306.093917448,5,2,4.478720000000003,True
407,CHEMBL597773,2.1,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCCCC(=O)NO,8.67778070526608,489.15791018,7,4,4.959000000000002,True
408,CHEMBL3622665,2.1,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CNC1CC1,8.67778070526608,441.13678081200004,6,3,4.4212000000000025,True
409,CHEMBL4206288,2.1,nM,CN1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5ccccc5)nc4cn3)nc2)CC1,8.67778070526608,497.2651566120001,10,2,3.495400000000002,True
410,CHEMBL4215080,2.1,nM,CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5ccc(F)cc5F)nc4cn3)nc2)CC1,8.67778070526608,561.2776131160001,10,2,4.552200000000004,True
413,CHEMBL3960167,2.11,nM,Cc1cc(C(=O)Nc2nc3cccc(C)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1,8.675717544702307,474.27432432800003,6,1,3.971840000000003,True
416,CHEMBL2031308,2.21,nM,CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1,8.655607726314889,495.18373100400004,6,2,5.855780000000005,True
417,CHEMBL3814447,2.22,nM,C#Cc1cccc(Nc2ncnc3ccc(NC(N)=O)cc23)c1,8.653647025549361,303.112010036,4,3,2.8453,True
418,CHEMBL3814445,2.25,nM,Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl,8.647817481888637,460.124836224,6,3,3.784500000000002,True
420,CHEMBL3910496,2.298,nM,C=CC(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21,8.638649975647734,440.19607400800004,7,1,4.044800000000002,True
421,CHEMBL4209801,2.3,nM,CN1CCN(c2ccc(Nc3cc4c(N5CCCC5)nc(Nc5ccccc5)nc4cn3)nc2)CC1,8.638272163982407,481.2702419920001,9,2,4.259000000000003,True
422,CHEMBL4225166,2.3,nM,C=CC(=O)Nc1cc(Nc2ncc3ncn(-c4ccc(F)c(Br)c4)c3n2)c(OC)cc1N(C)CCN(C)C,8.638272163982407,582.150262456,9,2,4.591600000000003,True
423,CHEMBL4083486,2.3,nM,C=CC(=O)Nc1cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)ccc1C,8.638272163982407,539.264487916,9,2,4.026040000000003,True
425,CHEMBL4060996,2.3,nM,COc1ccc(N(C)c2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1.Cl,8.638272163982407,408.17168910000004,5,0,5.065820000000005,True
426,CHEMBL53299,2.3,nM,COc1ccc(CNc2cc3c(Nc4cccc(Br)c4)ncnc3cn2)cc1,8.638272163982407,435.0694722960001,6,2,5.151600000000003,True
427,CHEMBL598797,2.4,nM,C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1,8.619788758288394,434.19540531199993,7,3,4.198000000000002,True
428,CHEMBL4207750,2.4,nM,CCS(=O)(=O)Nc1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1OC,8.619788758288394,487.088116368,7,2,4.9981000000000035,True
429,CHEMBL3622675,2.4,nM,C#Cc1cccc(Nc2ncnc3cc(OCC)c(NC(=O)/C=C/CN(C)C4CC4)cc23)c1,8.619788758288394,441.21647510400004,6,2,4.342300000000003,True
430,CHEMBL139095,2.4,nM,C=CS(=O)(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,8.619788758288394,404.9895077240001,6,2,3.416100000000001,True
431,CHEMBL4079861,2.4,nM,C=CC(=O)Nc1cc(C(C)C)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.619788758288394,567.2957880440001,9,2,4.841020000000004,True
432,CHEMBL3219127,2.45,nM,C=CC(=O)Nc1cccc(N2C(=O)C3CCCCN3C(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.610833915635467,596.2859516320001,9,2,3.778100000000003,True
433,CHEMBL4215076,2.5,nM,CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5ccc(F)cc5)nc4cn3)nc2)CC1,8.602059991327963,543.2870349280001,10,2,4.413100000000004,True
436,CHEMBL4063421,2.5,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4nc5c(s4)CN(C)CC5)nc32)c1,8.602059991327963,473.1633939760001,9,2,3.401620000000001,True
438,CHEMBL592216,2.53,nM,C#CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,8.596879478824182,385.09933268400005,5,1,4.966700000000003,True
440,CHEMBL4099682,2.6,nM,COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1.Cl,8.585026652029182,394.15603903600004,5,1,5.041520000000004,True
442,CHEMBL341319,2.6,nM,CN(CCO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.585026652029182,373.053822232,6,2,2.9594000000000005,True
443,CHEMBL4096021,2.6,nM,C=CC(=O)Nc1cc(Nc2cc(-c3cn4c5c(cccc35)CCC4)ncn2)c(OC)cc1N(C)CCN(C)C,8.585026652029182,525.28522336,8,2,4.919000000000003,True
444,CHEMBL287007,2.6,nM,CN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12,8.585026652029182,395.074557676,4,2,4.6788000000000025,True
445,CHEMBL4104658,2.6,nM,C=CC(=O)Nc1cc(Nc2nccc(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C,8.585026652029182,525.28522336,8,2,4.919000000000003,True
446,CHEMBL53062,2.6,nM,COc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,8.585026652029182,330.0116230720001,5,1,3.539500000000002,True
447,CHEMBL4171764,2.61,nM,Brc1cccc(Nc2ncnc3sc4c(c23)CCCC4)c1,8.58335949266172,359.00918054799996,4,1,5.076200000000002,True
448,CHEMBL4227201,2.7,nM,C=CC(=O)Nc1cc(Nc2ncc3nc(Nc4ccccc4)n(C)c3n2)c(OC)cc1N(C)CCN(C)C,8.568636235841012,515.275721296,10,3,3.9814000000000025,True
449,CHEMBL285063,2.7,nM,C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.568636235841012,368.027273136,4,2,4.260400000000002,True
451,CHEMBL151593,2.7,nM,CO.Nc1cccc2c1sc1c(Nc3cccc(Br)c3)ncnc12,8.568636235841012,402.0149942000001,6,3,4.5413000000000014,True
452,CHEMBL136511,2.7,nM,C=CS(=O)(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.568636235841012,403.994258756,5,2,4.0211000000000015,True
453,CHEMBL3622672,2.7,nM,C#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)/C=C/CN4CCCCC4)cc23)c1,8.568636235841012,441.21647510400004,6,2,4.343900000000003,True
454,CHEMBL3952157,2.7,nM,COc1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3o2)cc1,8.568636235841012,361.142641468,6,2,4.043900000000002,True
455,CHEMBL281543,2.7,nM,C=CC(=O)Nc1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1CCCCN1CCOCC1,8.568636235841012,484.17897997200004,7,2,4.340300000000003,True
457,CHEMBL305246,2.8,nM,Cc1cc(C(=O)N2CCN(C)CC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21,8.55284196865778,495.1585788760001,6,3,3.5295200000000007,True
458,CHEMBL2048795,2.8,nM,O=C1Cc2cccc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)c2N1,8.55284196865778,435.109817116,7,3,4.107500000000001,True
459,CHEMBL163188,2.8,nM,Cc1cccc(Nc2ncnc3cnc(N(C)C)cc23)c1,8.55284196865778,279.148395544,5,1,3.1428200000000013,True
461,CHEMBL2437460,2.86,nM,C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1,8.543633966870956,469.18623759600007,9,2,2.8804000000000007,True
462,CHEMBL2048906,2.9,nM,CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21,8.537602002101044,478.097872528,8,2,5.366400000000003,True
463,CHEMBL3633146,2.9,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1,8.537602002101044,495.2382731680001,8,2,3.7090200000000024,True
465,CHEMBL3815161,2.92,nM,O=C(NCCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,8.534617148551582,444.14767984400004,6,3,3.619600000000001,True
466,CHEMBL1336,2.96,nM,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,8.528708288941061,464.086302712,4,3,5.549700000000003,True
467,CHEMBL3828269,2.97,nM,Cn1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)cn1,8.527243550682787,353.08435131600004,5,1,4.5664000000000025,True
468,CHEMBL2048796,3.0,nM,O=C1Cc2c(cccc2Oc2ccc(Nc3ncnc4ccn(CCO)c34)cc2Cl)N1,8.522878745280337,435.109817116,7,3,4.107500000000001,True
470,CHEMBL3114690,3.0,nM,C#Cc1cccc(Nc2ncnc3cc4c(cc23)N(C(=O)/C=C/CN(C)C)CCO4)c1,8.522878745280337,413.185174976,6,1,3.1979000000000024,True
471,CHEMBL3935492,3.0,nM,C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@H]1C(=O)NCCS(C)(=O)=O,8.522878745280337,623.1416887360001,9,2,3.3988000000000014,True
472,CHEMBL3633929,3.0,nM,CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1,8.522878745280337,419.114902496,6,2,4.959200000000003,True
473,CHEMBL3633142,3.0,nM,C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.522878745280337,511.23318778800007,9,2,3.409200000000002,True
474,CHEMBL3671490,3.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCNC,8.522878745280337,473.0862652320001,6,3,4.387800000000003,True
475,CHEMBL215786,3.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CCN(C)CC1,8.522878745280337,430.157181908,6,1,4.895100000000004,True
476,CHEMBL258270,3.0,nM,CC(=O)N1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1,8.522878745280337,522.189464404,9,2,3.266800000000001,True
477,CHEMBL3233773,3.0,nM,CS(=O)(=O)CCNC/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.522878745280337,483.0601873680001,8,3,3.356300000000001,True
478,CHEMBL4072299,3.0,nM,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(O)cc3)c3c(N)ncnc32)C1,8.522878745280337,364.16477388000004,7,2,2.1305999999999994,True
479,CHEMBL3759986,3.0,nM,OCc1cccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3s2)c1,8.522878745280337,377.11979784800013,6,3,3.996100000000002,True
480,CHEMBL3961848,3.0,nM,C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(C=C)c4)ncnc3cc2OC)CC1,8.522878745280337,430.200490692,6,1,4.5808000000000035,True
481,CHEMBL4060919,3.0,nM,C=CC(=O)N1CCC[C@@H](n2nc(Cc3ccccc3)c3c(N)ncnc32)C1,8.522878745280337,362.18550932400007,6,1,2.3488000000000007,True
482,CHEMBL79206,3.0,nM,CN(CCO)Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1,8.522878745280337,428.16708238800004,5,3,5.612300000000003,True
483,CHEMBL125086,3.0,nM,CCOc1cc2ncnc(Nc3cccc(-c4ccco4)c3)c2cc1OCC,8.522878745280337,375.15829153199996,6,1,5.430800000000004,True
484,CHEMBL250130,3.0,nM,C[C@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO,8.522878745280337,507.16733199199996,8,2,4.218800000000003,True
485,CHEMBL4214567,3.0,nM,O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccccc2C1=O,8.522878745280337,383.07399052799997,5,2,3.3236000000000017,True
486,CHEMBL203725,3.0,nM,CN1CCC(Oc2cccc3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1,8.522878745280337,386.13096716,5,1,4.638900000000004,True
489,CHEMBL3965391,3.0,nM,C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C1,8.522878745280337,460.11137458800005,6,1,4.479300000000004,True
490,CHEMBL3759725,3.0,nM,COc1c(C(=O)NCCN(C)C)cccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,8.522878745280337,475.20419616800007,7,2,4.831400000000004,True
492,CHEMBL80540,3.0,nM,c1cc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CNCCN4CCNCC4)cc3)cc2n1,8.522878745280337,482.22526596000006,6,4,5.183000000000004,True
493,CHEMBL3233792,3.0,nM,O=C(/C=C/CN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.522878745280337,447.093201748,7,2,4.054300000000002,True
495,CHEMBL4113919,3.0,nM,CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(C(=O)N[N+]4=CCN(C)CC4)cc3)nc21,8.522878745280337,484.25678300009,8,3,3.5679000000000016,True
498,CHEMBL3622640,3.0,nM,COCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)/C=C/CN(C)C,8.522878745280337,517.11247998,7,2,4.356500000000003,True
499,CHEMBL3085376,3.0,nM,CCN(CC)[C@@](C)(C#Cc1ncnc2cc(OC)c(OC)cc12)Cc1ccccc1,8.522878745280337,403.225977168,5,0,4.341700000000004,True
501,CHEMBL3760082,3.0,nM,COc1ccc(C=O)cc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,8.522878745280337,389.11979784800013,6,1,5.352500000000004,True
502,CHEMBL258940,3.0,nM,CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1,8.522878745280337,387.13744950800003,7,2,3.4620000000000015,True
503,CHEMBL3671500,3.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNCC(C)=O,8.522878745280337,501.08117985200005,7,3,3.9569000000000027,True
504,CHEMBL286343,3.0,nM,C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCn1ccnc1,8.522878745280337,492.0909360120001,7,2,4.926000000000004,True
505,CHEMBL3114700,3.0,nM,C#Cc1cccc(Nc2ncnc3cc4c(cc23)N(C(=O)/C=C/CN2CCCC2)CCO4)c1,8.522878745280337,439.20082504,6,1,3.7321000000000026,True
507,CHEMBL473428,3.0,nM,OCc1ccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)o1,8.522878745280337,481.06631830399994,7,2,6.558700000000003,True
508,CHEMBL4165894,3.0,nM,COc1cc2ncnc(N3CCc4ccccc43)c2cc1NC(=O)/C=C/CN1CCCC1,8.522878745280337,429.21647510400004,6,1,3.9231000000000025,True
510,CHEMBL214857,3.0,nM,COCCN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1,8.522878745280337,460.167746592,7,1,4.664100000000003,True
511,CHEMBL3355873,3.05,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1[N+](=O)[O-],8.515700160653214,458.090558892,9,1,4.358200000000003,True
512,CHEMBL165495,3.1,nM,Cc1cccc(Nc2ncnc3cnc(N)cc23)c1,8.508638306165727,251.11709541599998,5,2,2.65902,True
513,CHEMBL4100777,3.1,nM,C=CC(=O)Nc1cccc(Nc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)n1,8.508638306165727,446.13250844800007,6,3,5.262800000000003,True
514,CHEMBL2048797,3.1,nM,OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ccc45)c(Cl)c3)c21,8.508638306165727,419.114902496,6,3,5.094200000000003,True
515,CHEMBL53156,3.1,nM,CNc1ccc2ncnc(Nc3cccc(Br)c3)c2n1,8.508638306165727,329.02760748400004,5,2,3.5726000000000013,True
516,CHEMBL4245415,3.1,nM,Cc1coc2ncnc(N(C)c3ccc(N(C)C)cc3)c12,8.508638306165727,282.148061196,5,0,3.3651200000000028,True
517,CHEMBL373207,3.1,nM,CCN(CC)CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,8.508638306165727,425.141866192,5,2,4.449600000000003,True
518,CHEMBL202556,3.1,nM,O=C(C#CCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1,8.508638306165727,440.11637971600004,7,2,2.835,True
519,CHEMBL52882,3.1,nM,CNC1=CC2N=CN(C)/C(=N\c3cccc(Br)c3)C2C=N1,8.508638306165727,345.05890761200004,4,1,2.5828000000000007,True
520,CHEMBL4105329,3.1,nM,Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(Cl)ccc3O)cc12,8.508638306165727,470.150953656,5,4,6.104820000000005,True
521,CHEMBL598377,3.1,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO,8.508638306165727,462.14701114799993,7,3,5.009200000000003,True
522,CHEMBL591038,3.16,nM,C=C=CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O,8.500312917381596,385.09933268400005,5,2,5.3716000000000035,True
523,CHEMBL128987,3.2,nM,Brc1cccc(Nc2ncnc3cc(NCCN4CCOCC4)ncc23)c1,8.494850021680094,428.09602139200007,7,2,3.2750000000000012,True
524,CHEMBL127611,3.2,nM,CN(CC(O)C(O)C(O)C(O)CO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.494850021680094,493.0960809680001,10,6,0.40300000000000075,True
525,CHEMBL4279227,3.2,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,8.494850021680094,497.2539232320001,7,3,4.654500000000003,True
526,CHEMBL4206166,3.2,nM,CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCC(CO)CC5)nc(Nc5ccccc5)nc4cn3)nc2)CC1,8.494850021680094,553.327756868,10,3,4.646100000000004,True
527,CHEMBL4127809,3.2,nM,C=CC(=O)N[C@H]1CCN(c2nc(Nc3ccccc3)nc3cnc(Nc4ccc(N5CCN(C)CC5)cn4)cc23)C1,8.494850021680094,550.2917057080001,10,3,3.5397000000000025,True
528,CHEMBL4071058,3.2,nM,CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.494850021680094,471.09060166399996,6,3,4.599100000000003,True
529,CHEMBL4225863,3.2,nM,C=CC(=O)Nc1cc(Nc2ncc3ncn(-c4ccc(F)cc4)c3n2)c(OC)cc1N(C)CCN(C)C,8.494850021680094,504.23975038800006,9,2,3.829100000000002,True
530,CHEMBL340700,3.2,nM,CN(CC(O)CO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.494850021680094,403.064386916,7,3,2.3202999999999996,True
531,CHEMBL1914461,3.3,nM,Br.Oc1ccc(-c2cc3c(NCc4ccccc4)ncnc3[nH]2)cc1,8.481486060122112,396.05857326400013,4,3,4.520500000000004,True
532,CHEMBL105053,3.3,nM,C[C@@H](Nc1[nH]cnc2nc(-c3ccccc3)cc1-2)c1ccccc1,8.481486060122112,314.153146576,3,2,4.749600000000004,True
533,CHEMBL2035810,3.3,nM,C=CC(=O)NCc1coc(-c2c(N)ncnc2Nc2ccc(OCc3ccccn3)c(Cl)c2)n1,8.481486060122112,477.13161518000004,9,3,3.8870000000000013,True
534,CHEMBL4072048,3.3,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CC(C)N(C)C(C)C5)cc4OC)nc32)c1,8.481486060122112,553.28013798,9,2,4.494620000000004,True
535,CHEMBL3967512,3.3,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Cn4ccnc4)cc3)ncc2Cl)c1,8.481486060122112,445.14178594000003,7,3,4.986500000000002,True
536,CHEMBL4087268,3.3,nM,C=CC(=O)Nc1cccc(Nc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)c1,8.481486060122112,445.13725948,5,3,5.8678000000000035,True
537,CHEMBL433205,3.3,nM,Nc1ccc2c(Nc3cccc(C(F)(F)F)c3)ncnc2c1,8.481486060122112,304.093581012,4,2,3.974400000000002,True
539,CHEMBL3622674,3.3,nM,C#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)/C=C/CN(C)C4CC4)cc23)c1,8.481486060122112,427.20082504000004,6,2,3.952200000000003,True
541,CHEMBL1916897,3.35,nM,Cc1ccc(F)cc1Nc1nc2cc(Cl)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12,8.474955192963154,466.168415288,6,1,4.807620000000004,True
542,CHEMBL51659,3.4,nM,C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,8.468521082957745,369.0225221040001,5,2,3.655400000000002,True
543,CHEMBL3403517,3.4,nM,COc1ccc2c(c1)CCCN2c1nc(C)nc2oc(C)cc12,8.468521082957745,309.147726848,5,0,3.932540000000003,True
544,CHEMBL598163,3.4,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCC(=O)NO,8.468521082957745,448.13136108399993,7,3,4.619100000000003,True
545,CHEMBL4102389,3.4,nM,C=CC(=O)Nc1cc(CC)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.468521082957745,553.2801379800001,9,2,4.280020000000003,True
546,CHEMBL39715,3.4,nM,COC(=O)CN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12,8.468521082957745,453.08003698000005,6,2,4.222000000000002,True
547,CHEMBL3355888,3.43,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1c([N+](=O)[O-])cnc1C,8.46470587995723,486.12185902,9,1,5.056720000000004,True
548,CHEMBL36164,3.5,nM,OCCN(CCO)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12,8.455931955649724,455.09568704400004,6,4,3.4038000000000004,True
549,CHEMBL340898,3.5,nM,Cc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1,8.455931955649724,359.18584367200003,7,2,3.775520000000002,True
550,CHEMBL4227091,3.5,nM,C=CC(=O)Nc1cc(Nc2ncc3ncn(-c4ccc(I)cc4)c3n2)c(OC)cc1N(C)CCN(C)C,8.455931955649724,612.145820168,9,2,4.294600000000003,True
552,CHEMBL2029425,3.52,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CCC(N(C)C)CC5)cc4OC)nc32)c1,8.453457336521868,556.2910370120001,8,2,4.587200000000005,True
553,CHEMBL3828021,3.58,nM,C#Cc1cccc(Nc2ncnc3ccc(-c4cnn(C)c4)cc23)c1,8.446116973356126,325.13274548,5,1,3.755200000000002,True
554,CHEMBL430571,3.6,nM,C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1,8.443697499232712,396.15862588,5,2,5.076900000000003,True
557,CHEMBL3805859,3.6,nM,CCOc1cc2ncnc(Nc3ccc(C)cc3)c2c2c1OCCO2,8.443697499232712,337.14264146799997,6,1,3.851720000000002,True
559,CHEMBL31419,3.6,nM,C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCN1CCOCC1,8.443697499232712,511.121901792,7,2,4.361500000000004,True
560,CHEMBL4168235,3.62,nM,COc1cc2c(Nc3ccc(C#N)cc3)ncnc2cc1OCCCN1CCC(c2ccccc2)CC1,8.441291429466835,493.24777523200004,7,1,5.902180000000006,True
561,CHEMBL40130,3.7,nM,Brc1cccc(Nc2ncnc3cc4c(ccn4CCN4CCOCC4)cc23)c1,8.431798275933005,451.100772424,6,1,4.422800000000003,True
562,CHEMBL1914653,3.7,nM,Br.C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1,8.431798275933005,410.074223328,4,3,5.081500000000004,True
563,CHEMBL3814694,3.7,nM,Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCCCC4)cc23)cc1Cl,8.431798275933005,458.145571668,5,3,4.938200000000004,True
564,CHEMBL38199,3.7,nM,Brc1cccc(Nc2ncnc3cc4c(cnn4CCN4CCOCC4)cc23)c1,8.431798275933005,452.09602139200007,7,1,3.817800000000002,True
566,CHEMBL96780,3.8,nM,COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N,8.42021640338319,344.027273136,5,2,3.726700000000002,True
567,CHEMBL3980793,3.8,nM,C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@H]1C(=O)NCCOC,8.42021640338319,575.174703116,8,2,4.000600000000003,True
568,CHEMBL1914654,3.8,nM,Br.C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccc(F)cc1,8.42021640338319,428.064801516,4,3,5.220600000000004,True
569,CHEMBL94431,3.8,nM,COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC,8.42021640338319,299.10700490799996,5,1,3.529700000000002,True
570,CHEMBL3892567,3.9,nM,OC[C@@H](Nc1ncnc2oc(-c3ccccc3)cc12)c1ccccc1,8.4089353929735,331.132076784,5,2,4.035300000000003,True
571,CHEMBL166307,3.9,nM,CN1CCN(NCCCNc2cc3c(Nc4cccc(Br)c4)ncnc3cn2)CC1,8.4089353929735,470.1542049640001,8,3,3.084900000000001,True
572,CHEMBL4217992,3.9,nM,CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5ccccc5)nc4cn3)nc2)CC1,8.4089353929735,525.2964567400002,10,2,4.274000000000003,True
573,CHEMBL4228672,3.9,nM,C=CC(=O)Nc1cc(Nc2ncc3ncn(-c4ccc(Cl)cc4)c3n2)c(OC)cc1N(C)CCN(C)C,8.4089353929735,520.210199848,9,2,4.343400000000003,True
574,CHEMBL31588,3.9,nM,C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCCN(C)C,8.4089353929735,483.12698717200004,6,2,4.981000000000004,True
576,CHEMBL3814846,3.96,nM,CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1,8.402304814074487,436.110231716,5,2,5.703300000000003,True
577,CHEMBL2437467,3.97,nM,C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(C(N)=O)cc4)nc32)c1,8.401209493236886,427.1392874040001,8,3,2.1426999999999996,True
578,CHEMBL421326,4.0,nM,OCCOCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1,8.397940008672037,458.17764707199996,6,4,5.286700000000004,True
579,CHEMBL78018,4.0,nM,NCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1,8.397940008672037,371.120466544,5,3,5.041900000000003,True
580,CHEMBL3895411,4.0,nM,C=C(CN1CCOCC1)C(=O)N1CC(Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C1,8.397940008672037,545.1641384320001,8,1,3.7916000000000025,True
581,CHEMBL3233786,4.0,nM,O=C(/C=C/CN1CCC(F)CC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.397940008672037,463.10451538000007,6,2,5.156000000000003,True
582,CHEMBL250923,4.0,nM,COc1cc2ncnc(/C=C/CCc3ccccc3)c2cc1OC,8.397940008672037,320.15247787999994,4,0,4.293000000000004,True
583,CHEMBL3961961,4.0,nM,COc1ccc(-c2cc3c(N[C@H](CCO)c4ccccc4)ncnc3o2)cc1,8.397940008672037,375.1582915320001,6,2,4.434000000000002,True
584,CHEMBL3676357,4.0,nM,C=CC(=O)Nc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OCCNCC(C)=O,8.397940008672037,491.09272308,7,3,4.501200000000003,True
585,CHEMBL3678952,4.0,nM,COc1cccc(Nc2nc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n2C(C)C)c1,8.397940008672037,472.26990764400006,9,2,4.654800000000004,True
586,CHEMBL3633152,4.0,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(OCCN(C)C)cc4OC)nc32)c1,8.397940008672037,514.23285344,9,2,3.906220000000003,True
587,CHEMBL92812,4.0,nM,CNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1,8.397940008672037,328.03235851600004,4,2,4.177600000000002,True
588,CHEMBL3678948,4.0,nM,C#Cc1cccc(Nc2nc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n2C(C)C)c1,8.397940008672037,466.25934296,8,2,4.627500000000004,True
589,CHEMBL3674151,4.0,nM,CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3F)nc21,8.397940008672037,555.207340636,9,3,4.718200000000005,True
591,CHEMBL3678949,4.0,nM,CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21,8.397940008672037,494.2109487960001,8,2,5.438700000000005,True
592,CHEMBL3671487,4.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCNC(C)=O,8.397940008672037,501.08117985200005,6,3,4.3045000000000035,True
593,CHEMBL209343,4.0,nM,CNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1,8.397940008672037,284.082874096,4,2,4.068500000000002,True
594,CHEMBL295961,4.0,nM,CNc1ccc2cncnc2c1,8.397940008672037,159.079647288,3,1,1.6714999999999998,True
595,CHEMBL545541,4.0,nM,COc1cc2ncnc(NCc3ccccc3)c2cc1OC.Cl,8.397940008672037,331.10875449599996,5,1,3.6809000000000025,True
596,CHEMBL3671502,4.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCN,8.397940008672037,445.0549651040001,6,3,3.737000000000002,True
597,CHEMBL3671497,4.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(N)=O,8.397940008672037,488.06077875600005,6,4,3.446600000000001,True
598,CHEMBL3633143,4.0,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.397940008672037,525.2488378520001,9,2,3.717620000000003,True
599,CHEMBL50344,4.0,nM,CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.397940008672037,328.03235851600004,4,2,4.177600000000002,True
601,CHEMBL3787662,4.0,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]ccc23)c1,8.397940008672037,469.2226231040001,7,3,4.3701000000000025,True
603,CHEMBL470219,4.0,nM,Fc1ccc(Nc2ncnc3nc(Nc4ccc(CN5CCCC5)cc4)sc23)cc1Cl,8.397940008672037,454.11427153999995,7,2,5.961800000000004,True
605,CHEMBL3633774,4.0,nM,NC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c2c1,8.397940008672037,473.08663706000004,5,3,6.328500000000003,True
606,CHEMBL3959632,4.0,nM,C=CC(=O)Nc1cccc(-n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(C)ccc32)c1,8.397940008672037,464.146010508,4,2,5.7295200000000035,True
607,CHEMBL1914665,4.0,nM,Br.CC[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1,8.397940008672037,424.089873392,4,3,5.471600000000004,True
608,CHEMBL3947406,4.0,nM,COc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2o1,8.397940008672037,345.14772684800005,5,1,5.071500000000004,True
609,CHEMBL3760071,4.0,nM,COC(=O)c1cc(OC)c(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c(OC)c1,8.397940008672037,449.140927216,8,1,5.335200000000004,True
610,CHEMBL3647421,4.0,nM,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/[C@@H]1CCCN1C,8.397940008672037,469.16808094000004,6,2,5.153500000000005,True
611,CHEMBL3953221,4.0,nM,C=CC(=O)N[C@H]1CCC[C@@H](n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(C)ccc32)C1,8.397940008672037,470.1929607,4,2,5.4017200000000045,True
612,CHEMBL4242522,4.0,nM,CCc1ccc(N(C)c2ncnc3occ(C)c23)cc1,8.397940008672037,267.137162164,4,0,3.8615200000000023,True
613,CHEMBL3114688,4.0,nM,C#Cc1cccc(Nc2ncnc3cc4c(cc23)N(C(=O)/C=C/CN2CCCCC2)CCO4)c1,8.397940008672037,453.216475104,6,1,4.122200000000004,True
614,CHEMBL65250,4.0,nM,C#Cc1cc(Nc2ncnc3cc(OC)c(OC)cc23)ccc1F,8.397940008672037,323.10700490799996,5,1,3.511000000000002,True
615,CHEMBL4172718,4.0,nM,COc1cc2ncnc(N3CCc4ccccc43)c2cc1NC(=O)/C=C/CN1CCC(CO)CC1,8.397940008672037,473.242689852,7,2,3.531600000000002,True
617,CHEMBL2048905,4.1,nM,OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21,8.387216143280265,437.071323432,8,2,5.222600000000003,True
618,CHEMBL3915508,4.1,nM,N#Cc1ccc(Nc2nncc3ccccc23)cc1,8.387216143280265,246.09054632,4,1,3.2450800000000015,True
620,CHEMBL4175045,4.1,nM,C=CC(=O)Nc1cc(Nc2nccc(Nc3ccccc3-c3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)C,8.387216143280265,541.2913713600001,10,3,4.495200000000004,True
621,CHEMBL172652,4.1,nM,Brc1cccc(Nc2ncnc3cc4[nH]nnc4cc23)c1,8.387216143280265,340.00720638800004,5,2,3.4072000000000005,True
623,CHEMBL4166609,4.1,nM,C=CC(=O)Nc1cc(Nc2nccc(Nc3ccccc3-n3cccn3)n2)c(OC)cc1N(C)CCN(C)C,8.387216143280265,527.2757212960001,10,3,4.280400000000003,True
624,CHEMBL428741,4.1,nM,CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(F)c4)=CC3=O)c2cc1NC(=O)/C=C/CN(C)C,8.387216143280265,545.207447216,9,2,3.7722000000000016,True
625,CHEMBL3958624,4.1,nM,C=CC(=O)N1CC[C@@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@@H]1C(N)=O,8.387216143280265,517.1328383040001,7,2,3.723300000000002,True
626,CHEMBL4227210,4.2,nM,C=CC(=O)Nc1cc(Nc2ncc3ncn(-c4ccc(C(C)C)cc4)c3n2)c(OC)cc1N(C)CCN(C)C,8.3767507096021,528.296122392,9,2,4.813400000000003,True
627,CHEMBL4067871,4.2,nM,OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(-c2ccc3cnccc3c2)c1)c1ccccc1,8.3767507096021,467.140054624,5,3,6.468300000000006,True
628,CHEMBL399373,4.2,nM,CCOc1cc2ncnc(C#C[C@@](C)(Cc3ccccc3)N3CCC(C(=O)O)CC3)c2cc1OCC,8.3767507096021,487.24710653599993,6,1,4.576700000000003,True
629,CHEMBL380669,4.2,nM,CC(C)N(CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)C(C)C,8.3767507096021,453.17316632,5,2,5.226600000000004,True
630,CHEMBL4082515,4.2,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4cnn(CCN(C)C)c4)nc32)c1,8.3767507096021,458.2178720720001,9,2,2.71532,True
631,CHEMBL3622678,4.2,nM,C#Cc1cccc(Nc2ncnc3cc(OCC)c(NC(=O)/C=C/CNC4CC4)cc23)c1,8.3767507096021,427.20082504000004,6,3,4.000100000000002,True
632,CHEMBL3932286,4.2,nM,C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(Cl)c4)ncnc3cc2OC)CC1,8.3767507096021,438.14586827600004,6,1,4.591200000000004,True
635,CHEMBL50519,4.3,nM,COc1ccc2ncnc(Nc3cccc(Br)c3)c2n1,8.366531544420413,330.011623072,5,1,3.539500000000002,True
638,CHEMBL3906533,4.4,nM,CCOC(=O)c1ccc(Nc2nncc3ccccc23)cc1,8.356547323513812,293.11642672,5,1,3.5501000000000014,True
639,CHEMBL3972168,4.4,nM,C=CC(=O)N1CC[C@@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@@H]1C(=O)OC,8.356547323513812,532.1325039559999,8,1,4.411000000000003,True
640,CHEMBL225928,4.4,nM,CN(CCCl)CCN/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1,8.356547323513812,417.123549032,6,2,4.785700000000004,True
641,CHEMBL3805774,4.4,nM,CCOc1cc2ncnc(Nc3cccc(OC)c3)c2c2c1OCCO2,8.356547323513812,353.13755608799994,7,1,3.5519000000000016,True
642,CHEMBL2029430,4.41,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OCC)nc32)c1,8.355561410532161,542.2753869480001,8,2,4.198700000000003,True
643,CHEMBL590559,4.45,nM,C=C=CCCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O,8.351639989019068,413.13063281200004,5,2,6.151800000000004,True
644,CHEMBL67057,4.5,nM,Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c21,8.346787486224656,559.2331877880001,7,3,4.824820000000003,True
645,CHEMBL4129138,4.5,nM,CN1CCN(c2ccc(Nc3cc4c(N[C@@H]5CCCN(C)C5)nc(Nc5ccccc5)nc4cn3)nc2)CC1,8.346787486224656,524.3124411520001,10,3,4.164900000000003,True
646,CHEMBL4082362,4.5,nM,C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3C3CCCC3)ccn2)c1,8.346787486224656,449.18854610400007,6,3,5.727900000000004,True
647,CHEMBL2437466,4.53,nM,C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(NC(C)=O)cc4)nc32)c1,8.343901797987169,441.15493746800007,8,3,3.0022,True
649,CHEMBL3818289,4.54,nM,O=C1N[C@H](C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCCN2CCOCC2)CO1,8.342944147142896,544.1637238320001,9,3,3.313900000000001,True
650,CHEMBL4127897,4.6,nM,C=CC(=O)N1CC[C@@H](Nc2nc(Nc3ccccc3)nc3cnc(Nc4ccc(N5CCN(C)CC5)cn4)cc23)C1,8.337242168318426,550.2917057080001,10,3,3.8576000000000024,True
651,CHEMBL3956112,4.6,nM,C[C@@H](Nc1ncnc2oc(-c3cccc(O)c3)cc12)c1ccccc1,8.337242168318426,331.132076784,5,2,4.768500000000003,True
652,CHEMBL598164,4.6,nM,C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCC(=O)NO)cc23)c1,8.337242168318426,420.17975524799994,7,3,3.807900000000002,True
654,CHEMBL433520,4.6,nM,CCN(CC)CC(O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,8.337242168318426,444.12732152000007,7,3,3.645500000000001,True
655,CHEMBL3900264,4.6,nM,Clc1ccc(/C=C/C(=N/Nc2nncc3ccccc23)c2ccccc2)cc1,8.337242168318426,384.114174224,4,1,5.812800000000004,True
657,CHEMBL3219133,4.68,nM,C=CC(=O)Nc1cccc(N2C(=O)C(Cc3ccccc3)N(C)C(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.329754146925875,646.3016016960001,9,2,4.466700000000004,True
658,CHEMBL4125764,4.7,nM,C=CC(=O)N[C@@H]1CCN(c2nc(Nc3ccccc3)nc3cnc(Nc4ccc(N5CCN(C)CC5)cn4)cc23)C1,8.327902142064282,550.2917057080001,10,3,3.5397000000000025,True
659,CHEMBL308645,4.7,nM,Cc1cc(CCC(=O)O)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21,8.327902142064282,441.1003953040001,5,4,4.1591200000000015,True
660,CHEMBL93302,4.7,nM,Oc1ccc2c(Nc3cccc(Br)c3)ncnc2c1,8.327902142064282,315.00072404,4,2,3.841500000000001,True
661,CHEMBL4062877,4.7,nM,Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(F)ccc3O)cc12,8.327902142064282,454.180504196,5,4,5.590520000000005,True
662,CHEMBL1914667,4.7,nM,COc1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)cc1,8.327902142064282,344.16371126,4,2,4.806600000000004,True
663,CHEMBL2437465,4.72,nM,C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N(CC)CC)cc4)nc32)c1,8.326058001365912,455.2069730400001,8,2,3.8900000000000023,True
665,CHEMBL36967,4.8,nM,Brc1cccc(Nc2ncnc3cc4[nH]cc(CN5CCOCC5)c4cc23)c1,8.318758762624412,437.08512236,5,2,4.4494000000000025,True
666,CHEMBL129579,4.8,nM,OCC(O)C(O)C(O)C(O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.318758762624412,479.0804309040001,10,7,0.37869999999999987,True
668,CHEMBL4102886,4.87,nM,C#Cc1cccc(Nc2ncnc3cc(OCCCN4C[C@H](O)[C@@H](O)[C@H](O)[C@H]4CO)c(OC)cc23)c1,8.312471038785366,494.2165346799999,10,5,0.8913999999999997,True
669,CHEMBL3355887,4.9,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1c([N+](=O)[O-])cnc1C,8.309803919971486,472.106208956,9,1,4.6666200000000035,True
671,CHEMBL4089279,4.9,nM,C=CC(=O)NCc1cccc(Nc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)c1,8.309803919971486,459.152909544,5,3,5.545500000000004,True
672,CHEMBL4104515,4.9,nM,COc1ccc2c(c1)CCCN2c1nc(C)nc2c(Cc3ccccc3)cn(C)c12.Cl,8.309803919971486,434.18733916400004,5,0,5.3822200000000056,True
673,CHEMBL4103912,4.9,nM,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccc(F)cc34)n2)c(OC)cc1N(C)CCN(C)C,8.309803919971486,517.2601514840001,8,2,4.648900000000004,True
674,CHEMBL340484,4.9,nM,CN1CCN(CCCNc2cc3ncnc(Nc4cccc(Br)c4)c3cn2)CC1,8.309803919971486,455.143305932,7,2,3.580300000000001,True
675,CHEMBL2437488,4.94,nM,C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccccc4)nc32)c1,8.306273051076353,384.13347375200004,7,2,3.043800000000001,True
676,CHEMBL2437464,4.96,nM,C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCCC5)cc4)nc32)c1,8.304518323509802,453.1913229760001,8,2,3.644000000000002,True
677,CHEMBL2032377,4.99,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N(C)C)cc4OC)nc32)c1,8.30189945437661,473.21753772400007,7,2,4.1228000000000025,True
678,CHEMBL2087356,5.0,nM,Brc1cccc(Nc2ncnc3cc4c(cc23)OCCOCOCOCCO4)c1,8.301029995663981,461.05863283999986,8,1,3.871900000000002,True
680,CHEMBL3758868,5.0,nM,COc1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c(OC)c1,8.301029995663981,391.13544791199996,6,1,5.548600000000004,True
681,CHEMBL2087355,5.0,nM,Brc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1,8.301029995663981,445.0637182199999,7,1,3.9403000000000024,True
682,CHEMBL56802,5.0,nM,COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC,8.301029995663981,295.132076784,5,1,3.6990200000000026,True
684,CHEMBL3741424,5.0,nM,C#Cc1cccc(Nc2ncnc3cc(OCCOC(=O)c4ccccc4OC(C)=O)c(OCCOC)cc23)c1,8.301029995663981,541.1849002039999,10,1,4.541000000000004,True
685,CHEMBL3676341,5.0,nM,C=CC(=O)Nc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OCCNC(C)=O,8.301029995663981,477.077073016,6,3,4.458700000000003,True
686,CHEMBL4094927,5.0,nM,CCC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)c1,8.301029995663981,477.16347422800004,6,3,6.100400000000004,True
687,CHEMBL77782,5.0,nM,CN(C)CCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1,8.301029995663981,413.167416736,5,2,5.687300000000004,True
688,CHEMBL258282,5.0,nM,CN1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1,8.301029995663981,494.194549784,9,2,3.350100000000001,True
689,CHEMBL3759280,5.0,nM,COc1cc(C=O)ccc1-c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.301029995663981,413.0401035560001,6,1,5.715500000000002,True
690,CHEMBL2178351,5.0,nM,CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21,8.301029995663981,442.25934296,8,2,4.646200000000003,True
691,CHEMBL3671495,5.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(=O)C(F)F,8.301029995663981,523.046686164,6,3,4.159600000000002,True
692,CHEMBL3671499,5.0,nM,C=CC(=O)NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C,8.301029995663981,499.065529788,6,3,4.0805000000000025,True
694,CHEMBL3759929,5.0,nM,COc1ccc(CO)cc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,8.301029995663981,391.13544791200013,6,2,5.032300000000004,True
697,CHEMBL3962343,5.0,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(NC(C)C)cc3OC)ncc2Cl)c1,8.301029995663981,452.17275172,7,4,5.570600000000003,True
698,CHEMBL402294,5.0,nM,CCO/N=C/c1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1,8.301029995663981,405.17133648000004,8,2,3.709900000000002,True
699,CHEMBL332882,5.0,nM,Nc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,8.301029995663981,336.089022096,5,3,3.999100000000001,True
700,CHEMBL3758939,5.0,nM,C[C@@H](Nc1ncnc2sc(-c3cccc(C(N)=O)c3)cc12)c1ccccc1,8.301029995663981,374.120132196,5,2,4.630300000000003,True
704,CHEMBL310827,5.0,nM,Cc1c[nH]c2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc12,8.301029995663981,356.109567512,4,2,5.891620000000003,True
705,CHEMBL248392,5.0,nM,COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCN1CCOCC1,8.301029995663981,458.23179081999996,7,1,4.184180000000003,True
706,CHEMBL3357655,5.0,nM,COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)/C(F)=C\CN(C)C,8.301029995663981,473.086265232,6,2,4.498000000000003,True
707,CHEMBL80809,5.0,nM,CC(=O)NCCNCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1,8.301029995663981,456.173230388,6,4,4.808900000000003,True
708,CHEMBL312818,5.0,nM,c1ccc(CCCN(c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)n2ccnc2)cc1,8.301029995663981,465.17356473600006,7,2,6.0152000000000045,True
710,CHEMBL4079501,5.0,nM,C=CC(=O)Nc1cc(Nc2n[nH]c3cc(-c4ccncc4)ccc23)c(OC)cc1N(C)CCN(C)C,8.301029995663981,485.25392323200003,7,3,4.499400000000003,True
711,CHEMBL4216679,5.0,nM,C=CC(=O)N[C@@H]1CN(c2nc(Nc3cn(C)nc3OC)c3ncn(C(C)C)c3n2)C[C@H]1F,8.301029995663981,443.21934929200006,10,2,1.721799999999999,True
712,CHEMBL197640,5.0,nM,CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)CC1,8.301029995663981,492.172831972,6,1,6.217900000000005,True
713,CHEMBL399371,5.0,nM,CCOc1cc2ncnc(/C=C/CCc3ccccc3)c2cc1OCC,8.301029995663981,348.18377800799993,4,0,5.073200000000004,True
714,CHEMBL4168254,5.0,nM,CN(C)C/C=C/C(=O)Nc1cc2c(N3CCc4ccccc43)ncnc2cc1O[C@@H]1CCOC1,8.301029995663981,459.227039788,7,1,3.548000000000002,True
715,CHEMBL3758802,5.0,nM,C#Cc1cccc(Nc2ncnc3sc(-c4ccc(CO)cc4OC)cc23)c1,8.301029995663981,387.10414778399996,6,2,4.584100000000003,True
716,CHEMBL299893,5.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)CN(CCO)CCO,8.301029995663981,480.1575758319999,9,4,2.2008000000000005,True
717,CHEMBL56266,5.0,nM,CNCC(O)COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,8.301029995663981,406.1207964,7,3,3.1336000000000013,True
718,CHEMBL3114701,5.0,nM,C#Cc1cccc(Nc2ncnc3cc4c(cc23)N(C(=O)/C=C/CN2CCC(C)CC2)CCO4)c1,8.301029995663981,467.232125168,6,1,4.368200000000004,True
719,CHEMBL3114686,5.0,nM,C#Cc1cccc(Nc2ncnc3cc4c(cc23)N(C(=O)/C=C/CN2CCCCC2C)CCO4)c1,8.301029995663981,467.232125168,6,1,4.510700000000004,True
720,CHEMBL3759022,5.0,nM,COc1cc(CO)ccc1-c1cc2c(NCc3ccccc3)ncnc2s1,8.301029995663981,377.11979784800013,6,2,4.471300000000002,True
721,CHEMBL3114687,5.0,nM,C#Cc1cccc(Nc2ncnc3cc4c(cc23)N(C(=O)/C=C/CN(CC)CC)CCO4)c1,8.301029995663981,441.216475104,6,1,3.978100000000003,True
722,CHEMBL332612,5.0,nM,Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,8.301029995663981,351.09992112799995,6,4,4.075700000000001,True
723,CHEMBL3416625,5.0,nM,COc1ccccc1-c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.301029995663981,385.04518893600005,5,1,5.903000000000002,True
724,CHEMBL3814816,5.06,nM,S=C(NCCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(Cl)cc3)c2c1,8.2958494831602,442.13425803600006,6,3,3.6454000000000013,True
725,CHEMBL3542268,5.06,nM,OCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,8.2958494831602,475.10989736799996,6,2,6.497200000000003,True
726,CHEMBL289162,5.1,nM,O=C(O)Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21,8.292429823902063,396.0221877560001,5,2,4.175200000000002,True
728,CHEMBL2437463,5.12,nM,C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCCCC5)cc4)nc32)c1,8.290730039024169,467.2069730400001,8,2,4.034100000000002,True
729,CHEMBL4290568,5.2,nM,C=C=CC(=O)Nc1cc(Nc2ncc(C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,8.2839966563652,525.28522336,8,2,4.973320000000004,True
730,CHEMBL3622671,5.3,nM,C#Cc1cccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)/C=C/CN4CCCCC4)cc23)c1,8.275724130399212,497.242689852,7,2,4.503000000000004,True
731,CHEMBL4068839,5.3,nM,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c3c(N)ncnc32)C1,8.275724130399212,489.16800068800006,8,1,4.052400000000002,True
732,CHEMBL3933539,5.3,nM,COc1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3o2)cc1,8.275724130399212,345.147726848,5,1,5.071500000000004,True
734,CHEMBL1243255,5.35,nM,CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CNC,8.271646217978772,453.13678081200004,6,3,4.755380000000003,True
736,CHEMBL3897723,5.4,nM,COc1ccc(/C=C/C(=N/Nc2nncc3ccccc23)c2ccc(Cl)cc2)cc1,8.267606240177031,414.12473890800004,5,1,5.821400000000004,True
737,CHEMBL3218346,5.4,nM,C=CC(=O)Nc1cccc(Nc2cc(Nc3cccc(Br)c3)ncn2)c1,8.267606240177031,409.053822232,5,3,4.850800000000002,True
738,CHEMBL126384,5.4,nM,Brc1cccc(Nc2ncnc3cc(NCCCCN4CCOCC4)ncc23)c1,8.267606240177031,456.12732152000007,7,2,4.055200000000002,True
740,CHEMBL338215,5.4,nM,Cc1cccc(Nc2ncnc3cc(NCCCCN(C)C)ncc23)c1,8.267606240177031,350.221894832,6,2,3.8305200000000026,True
742,CHEMBL3622655,5.5,nM,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C1CC1,8.259637310505756,469.16808094000004,6,2,5.153500000000005,True
743,CHEMBL3699611,5.5,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCCOCC4)cc3OC)ncc2Cl)c1,8.259637310505756,495.16733199199996,8,2,5.025700000000004,True
744,CHEMBL3699622,5.5,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCS(=O)(=O)CC4)cc3OC)ncc2C(F)(F)F)c1,8.259637310505756,562.16100894,9,3,4.350500000000003,True
745,CHEMBL3699615,5.5,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3OC)ncc2Cl)c1,8.259637310505756,557.1612010559999,9,3,3.8319000000000027,True
746,CHEMBL3699586,5.5,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2Cl)c1,8.259637310505756,521.194215436,8,3,4.418800000000004,True
747,CHEMBL3699587,5.5,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2Cl)c1,8.259637310505756,522.178231024,8,2,4.467500000000004,True
748,CHEMBL3699603,5.5,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)NC)CC4)cc3OC)ncc2C(F)(F)F)c1,8.259637310505756,570.231471448,8,4,4.577100000000003,True
749,CHEMBL3699583,5.5,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(=O)CO)CC4)cc3OC)ncc2Cl)c1,8.259637310505756,538.173145644,9,3,3.4399000000000015,True
750,CHEMBL1643971,5.5,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3OC)ncc2Cl)c1,8.259637310505756,481.15168192799996,8,2,4.635600000000003,True
751,CHEMBL3699584,5.5,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)CO)CC4)cc3OC)ncc2C(F)(F)F)c1,8.259637310505756,571.2154870359999,9,4,3.7566000000000024,True
756,CHEMBL3699602,5.5,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(S(N)(=O)=O)CC4)cc3OC)ncc2C(F)(F)F)c1,8.259637310505756,593.166822592,9,3,3.4899000000000013,True
758,CHEMBL3699588,5.5,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1,8.259637310505756,556.2045880039999,8,2,4.832900000000004,True
761,CHEMBL3818563,5.52,nM,CCOc1cc2ncnc(N[C@@H](C)c3ccccc3)c2cc1NC(=O)[C@@H]1COC(=O)N1,8.2580609222708,421.175004216,7,3,3.2485,True
762,CHEMBL3357641,5.52,nM,CN(C)C/C=C(\F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,8.2580609222708,503.153573748,7,2,4.687100000000003,True
763,CHEMBL1928291,5.54,nM,O=C(c1cc2ccccc2[nH]1)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.25649023527157,422.040437904,5,2,5.939700000000002,True
764,CHEMBL2437479,5.6,nM,C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(OC)cc4)nc32)c1,8.2518119729938,414.144038436,8,2,3.0524000000000013,True
765,CHEMBL3903713,5.6,nM,C(=C/c1ccccc1)\C(=N\Nc1nncc2ccccc12)c1ccccc1,8.2518119729938,350.153146576,4,1,5.159400000000003,True
766,CHEMBL3622676,5.6,nM,C#Cc1cccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)/C=C/CNC4CC4)cc23)c1,8.2518119729938,469.211389724,7,3,3.7691000000000017,True
767,CHEMBL1873475,5.6,nM,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,8.2518119729938,440.19607400800004,7,1,4.2173000000000025,True
768,CHEMBL4076854,5.6,nM,C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3cnc(SC)[nH]3)ccn2)c1,8.2518119729938,381.1259458480001,6,3,4.070300000000001,True
769,CHEMBL341522,5.6,nM,Cc1cccc(Nc2ncnc3cc(NCCCN4CCN(C)CC4)ncc23)c1,8.2518119729938,391.24844392800003,7,2,3.1262200000000018,True
771,CHEMBL248393,5.7,nM,COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCN1CCN(C)CC1,8.244125144327509,471.26342529600004,7,1,4.099380000000004,True
773,CHEMBL3219347,5.78,nM,C=CC(=O)Nc1cccc(N2C(=O)C(Cc3ccc(F)cc3)N(C)C(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.23807216157947,664.2921798840001,9,2,4.605800000000004,True
775,CHEMBL3622629,5.8,nM,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,8.236572006437063,428.10514633599996,6,2,4.458100000000003,True
776,CHEMBL53203,5.8,nM,C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1,8.236572006437063,382.142975816,5,2,5.290200000000003,True
778,CHEMBL69071,5.9,nM,Cc1cc(C(=O)N2CC(C)NC(C)C2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21,8.229147988357855,509.1742289400001,6,4,3.9643200000000016,True
779,CHEMBL1928312,5.93,nM,COc1ccc2[nH]c(C(=O)c3cc4c(Nc5ccc(F)c(Cl)c5)ncnc4s3)cc2c1,8.226945306635738,452.051002588,6,2,5.948300000000002,True
780,CHEMBL3622648,6.0,nM,C#Cc1cccc(Nc2ncnc3cc(OC4CCOCC4)c(NC(=O)/C=C/CN(C)C)cc23)c1,8.221848749616356,471.227039788,7,2,3.9688000000000025,True
783,CHEMBL206955,6.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O,8.221848749616356,429.13678081200004,6,2,3.624200000000002,True
784,CHEMBL461795,6.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CC[C@@H](C(N)=O)C1,8.221848749616356,429.13678081200004,6,2,3.481700000000002,True
785,CHEMBL3926558,6.0,nM,C=CC(=O)N1CC(Oc2cc3c(N[C@H](C)c4ccccc4)ncnc3cc2OC)C1,8.221848749616356,404.184840628,6,1,3.587100000000002,True
786,CHEMBL3954587,6.0,nM,C=CC(=O)N1CC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1,8.221848749616356,428.105146336,6,1,3.9501000000000026,True
787,CHEMBL3914159,6.0,nM,C=CC(=O)N1CC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)C1,8.221848749616356,462.06617398400005,6,1,4.603500000000004,True
788,CHEMBL306315,6.0,nM,Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1,8.221848749616356,294.067224032,3,2,4.5081000000000016,True
789,CHEMBL3758471,6.0,nM,C[C@@H](Nc1ncnc2sc(-c3cccc(C=O)c3)cc12)c1ccccc1,8.221848749616356,359.109233164,5,1,5.343900000000003,True
790,CHEMBL2105719,6.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1.O,8.221848749616356,487.178645624,6,2,4.3304000000000045,True
791,CHEMBL3898447,6.0,nM,C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1,8.221848749616356,456.136446464,6,1,4.730300000000004,True
792,CHEMBL7917,6.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC,8.221848749616356,315.07745436799996,5,1,4.044000000000002,True
793,CHEMBL1173655,6.0,nM,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,8.221848749616356,485.16299556,7,2,4.389900000000002,True
794,CHEMBL118130,6.0,nM,Oc1ccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,8.221848749616356,337.073037684,5,3,4.122500000000002,True
795,CHEMBL3759780,6.0,nM,COc1cc(F)ccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,8.221848749616356,379.1154614160001,5,1,5.679100000000004,True
796,CHEMBL3608434,6.0,nM,C=CC(=O)N[C@@H]1CN(c2nc(Nc3cn(CC)nc3OC)c3ncn(C)c3n2)C[C@H]1F,8.221848749616356,429.20369922800006,10,2,1.1607999999999992,True
797,CHEMBL3671484,6.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C(=O)CN(C)C)CC1,8.221848749616356,584.1546791400001,7,2,4.5785000000000045,True
798,CHEMBL56502,6.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)CN,8.221848749616356,392.10514633599996,7,3,2.8729000000000005,True
801,CHEMBL207815,6.0,nM,COCCN1CC(C(N)=O)(N(C)Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1,8.221848749616356,502.189544656,8,2,2.7924000000000007,True
802,CHEMBL3759900,6.0,nM,COc1cc(C=O)ccc1-c1cc2c(NCc3ccccc3)ncnc2s1,8.221848749616356,375.10414778400013,6,1,4.791500000000003,True
805,CHEMBL3633151,6.0,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N(C)CCN(C)C)cc4OC)nc32)c1,8.221848749616356,527.264487916,9,2,3.9636200000000033,True
806,CHEMBL1645474,6.0,nM,NC1CCN(Cc2ccn3ncnc(Nc4cccc(Br)c4)c23)CC1,8.221848749616356,400.101106772,6,2,3.1585,True
807,CHEMBL3979610,6.0,nM,Fc1ccc(Nc2nncc3ccccc23)cc1,8.221848749616356,239.08587554,3,1,3.512500000000001,True
808,CHEMBL329856,6.0,nM,CN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.221848749616356,423.069472296,5,2,3.639400000000001,True
809,CHEMBL471058,6.0,nM,CCc1nccn1Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1,8.221848749616356,479.109520508,8,2,6.173200000000004,True
811,CHEMBL3963723,6.0,nM,CCC(=O)Nc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OC,8.221848749616356,361.15387484800004,5,3,4.211800000000002,True
812,CHEMBL4087538,6.0,nM,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4c(F)cccc34)n2)c(OC)cc1N(C)CCN(C)C,8.221848749616356,517.2601514840001,8,2,4.648900000000004,True
814,CHEMBL3622673,6.1,nM,C#Cc1cccc(Nc2ncnc3cc(OCC)c(NC(=O)/C=C/CN4CCCCC4)cc23)c1,8.214670164989233,455.23212516800004,6,2,4.734000000000004,True
815,CHEMBL4063301,6.13,nM,O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)C1CCCCC1,8.212539525481585,380.140388972,4,2,5.545600000000003,True
816,CHEMBL1229592,6.18,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1,8.209011524911183,494.18331640400004,8,2,4.550800000000003,True
817,CHEMBL3937949,6.2,nM,O=C(O)c1ccc(Nc2nncc3ccccc23)cc1,8.207608310501746,265.085126592,4,2,3.071600000000001,True
818,CHEMBL3219348,6.26,nM,C=CC(=O)Nc1cccc(N2C(=O)CN(Cc3ccccc3)C(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.20342566678957,632.285951632,9,2,4.425800000000003,True
819,CHEMBL590878,6.27,nM,Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1.[Cl-],8.202732459169283,338.019330372,6,6,-0.38149999999999984,True
820,CHEMBL3966129,6.3,nM,Clc1ccc(C(/C=C/c2ccccc2)=N\Nc2nncc3ccccc23)cc1,8.200659450546418,384.114174224,4,1,5.812800000000005,True
821,CHEMBL4282688,6.3,nM,C=C=CC(=O)Nc1cc(Nc2ncc(OC)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,8.200659450546418,541.2801379800001,9,2,4.673500000000003,True
822,CHEMBL162719,6.4,nM,CN1CCN(c2cc3c(Nc4cccc(Br)c4)ncnc3cn2)CC1,8.193820026016112,398.0854567080001,6,1,3.282700000000002,True
823,CHEMBL3622679,6.4,nM,C#Cc1cccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)/C=C/CNC(C)C)cc23)c1,8.193820026016112,471.227039788,7,3,4.015100000000002,True
826,CHEMBL329867,6.4,nM,COc1cc2ncnc(Nc3cncc4ccccc34)c2cc1OC,8.193820026016112,332.127325752,6,1,3.938800000000003,True
827,CHEMBL4250210,6.4,nM,CNc1ccc(N(C)c2ncnc3occ(C)c23)cc1,8.193820026016112,268.132411132,5,1,3.3408200000000017,True
828,CHEMBL4079658,6.4,nM,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CC[N+](C)(C)[O-],8.193820026016112,515.264487916,8,2,4.522400000000003,True
830,CHEMBL4101719,6.47,nM,OCCCc1nc(-c2ccc(F)cc2)c(-c2ccnc3[nH]c(-c4ccccc4)cc23)[nH]1,8.1890957193313,412.16993951200004,3,3,5.351000000000004,True
831,CHEMBL3983586,6.5,nM,Cc1ccc(C(/C=C/c2ccc(F)cc2)=N\Nc2nncc3ccccc23)cc1,8.187086643357144,382.159374828,4,1,5.606920000000004,True
832,CHEMBL3622666,6.5,nM,O=C(/C=C/CNC1CC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,8.187086643357144,497.16299556,7,3,4.580300000000003,True
833,CHEMBL63469,6.5,nM,Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1Cl,8.187086643357144,347.9777361,4,2,4.371500000000001,True
834,CHEMBL69629,6.5,nM,Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21,8.187086643357144,525.1691435600001,7,4,3.203920000000001,True
835,CHEMBL4129209,6.5,nM,C=CC(=O)N[C@@H]1CCCN(c2nc(Nc3ccccc3)nc3cnc(Nc4ccc(N5CCN(C)CC5)cn4)cc23)C1,8.187086643357144,564.307355772,10,3,3.929800000000003,True
836,CHEMBL1914668,6.6,nM,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(F)cc3)cc12)c1ccccc1,8.18045606445813,332.143724764,3,2,4.937100000000004,True
837,CHEMBL3979366,6.6,nM,C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@H]1C(=O)NCCN(C)C,8.18045606445813,588.206337592,8,2,3.9158000000000026,True
838,CHEMBL284326,6.6,nM,C=CC(=O)Nc1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1,8.18045606445813,499.1898790040001,8,2,3.7017000000000015,True
839,CHEMBL3357634,6.67,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C(F)=C/CN(C)C,8.175874166083451,447.127359,6,2,4.528000000000004,True
840,CHEMBL3950630,6.7,nM,Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nncc4ccccc34)cc2)n1,8.173925197299173,406.121194816,7,2,3.5810400000000016,True
841,CHEMBL2148050,6.7,nM,CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21,8.173925197299173,533.069130512,8,2,4.434800000000004,True
842,CHEMBL3804868,6.7,nM,CCOc1cc2ncnc(Nc3ccc(C)c(Cl)c3)c2c2c1OCCO2,8.173925197299173,371.10366911599994,6,1,4.505120000000003,True
843,CHEMBL3751976,6.7,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(CC)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.173925197299173,539.264487916,9,2,3.971600000000003,True
845,CHEMBL4100377,6.8,nM,C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3C3CCC3)ccn2)c1,8.167491087293763,435.17289604000007,6,3,5.337800000000003,True
846,CHEMBL4105442,6.8,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(/C=C/c4ccc(C)cc4C)cc3)ncc2Cl)c1,8.167491087293763,495.18258813200003,5,3,7.528940000000006,True
848,CHEMBL4102577,6.8,nM,CCC(=O)Nc1cccc(Nc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)c1,8.167491087293763,447.152909544,5,3,6.0918000000000045,True
852,CHEMBL3963403,6.9,nM,Fc1ccc(/C=C/C(=N/Nc2nncc3ccccc23)c2ccccc2)cc1,8.161150909262744,368.143724764,4,1,5.298500000000003,True
853,CHEMBL2029426,6.95,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccccc4)nc32)c1,8.158015195409886,400.16477388000004,5,2,4.048200000000002,True
854,CHEMBL3219132,6.99,nM,C=CC(=O)Nc1cccc(N2C(=O)CN(c3ccccc3)C(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.15552282425432,618.270301568,9,2,4.430200000000004,True
857,CHEMBL3883534,7.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,8.154901959985743,372.078931588,5,2,4.299000000000002,True
859,CHEMBL3608429,7.0,nM,C=CC(=O)N[C@@H]1CN(c2nc(Nc3cnn(C)c3)c3ncn(C(C)C)c3n2)C[C@H]1F,8.154901959985743,413.20878460800003,9,2,1.7131999999999992,True
860,CHEMBL4218154,7.0,nM,C=CC(=O)N[C@@H]1CN(c2nc(Nc3cn(C)nc3CC)c3ncn(C(C)C)c3n2)C[C@H]1F,8.154901959985743,441.24008473600003,9,2,2.2756,True
861,CHEMBL3946396,7.0,nM,COc1cccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3o2)c1,8.154901959985743,345.14772684800005,5,1,5.071500000000004,True
864,CHEMBL255170,7.0,nM,Cc1ccc(Oc2ccc(Nc3ncnc4[nH]nc(OCCN5CCC(O)CC5)c34)cc2Cl)cn1,8.154901959985743,495.178565372,9,3,4.081120000000001,True
865,CHEMBL1172843,7.0,nM,C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)c1,8.154901959985743,476.184840628,6,3,5.826800000000005,True
866,CHEMBL598610,7.0,nM,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCCC(=O)NO,8.154901959985743,462.14701114799993,7,3,5.009200000000003,True
867,CHEMBL3787386,7.0,nM,C#CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C,8.154901959985743,396.078931588,5,2,4.302400000000002,True
869,CHEMBL311109,7.0,nM,NC(=O)C1CCN(Cc2ccc(-c3cc4ncnc(Nc5ccc6[nH]ccc6c5)c4s3)cc2)CC1,8.154901959985743,482.188880452,6,3,5.2805000000000035,True
870,CHEMBL2087357,7.0,nM,Brc1cccc(Nc2ncnc3cc4c(cc23)OCCSCCO4)c1,8.154901959985743,417.01465985199997,6,1,4.6403000000000025,True
872,CHEMBL3758762,7.0,nM,C[C@@H](Nc1ncnc2sc(-c3ccc(C(N)=O)cc3)cc12)c1ccccc1,8.154901959985743,374.120132196,5,2,4.630300000000003,True
873,CHEMBL3968784,7.0,nM,C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)C1,8.154901959985743,476.08182404800004,6,1,4.993600000000004,True
874,CHEMBL3758758,7.0,nM,COC(=O)c1ccc(OC)c(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c1,8.154901959985743,419.13036253200005,7,1,5.3266000000000036,True
877,CHEMBL3674152,7.0,nM,COc1cc(C(=O)NN2CCN(C)CC2)ccc1Nc1ncc2nc(Nc3ccccc3)n(C(C)C)c2n1,8.154901959985743,515.2757212960001,10,3,3.795200000000002,True
878,CHEMBL122245,7.0,nM,COc1ccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,8.154901959985743,380.115236844,6,3,4.370600000000002,True
879,CHEMBL121796,7.0,nM,Clc1cccc(Nc2[nH]cnc3nnc(NCc4ccccc4)c2-3)c1,8.154901959985743,350.10467216,5,3,4.313600000000001,True
881,CHEMBL2103842,7.0,nM,C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1,8.154901959985743,466.0978725280001,9,2,5.2489000000000035,True
882,CHEMBL513418,7.0,nM,NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4cccc(Cl)c4)c3s2)cc1,8.154901959985743,432.022993336,8,3,3.8743000000000016,True
884,CHEMBL3233787,7.0,nM,O=C(/C=C/CN1CCC(F)(F)CC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.154901959985743,481.0950935680001,6,2,5.453200000000003,True
885,CHEMBL2178350,7.0,nM,CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C5CC5)c4n3)cc2)CC1,8.154901959985743,440.243692896,8,2,4.400200000000003,True
886,CHEMBL4062178,7.0,nM,Cc1cc(Nc2ncc3c(n2)N([C@H]2CCN(C(=O)CO)C2)C(=O)N(c2ccccc2Cl)C3)ccc1N1CCN(C)CC1,8.154901959985743,590.25206466,8,2,3.473620000000002,True
887,CHEMBL496174,7.0,nM,Fc1cccc(COc2ccc(Nc3ncnc4cc(C#C[C@H]5CCCN5)sc34)cc2Cl)c1,8.154901959985743,478.10303816000004,6,2,5.909900000000003,True
888,CHEMBL3959248,7.0,nM,COCCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN(C)C,8.154901959985743,551.264487916,9,2,4.8529000000000035,True
889,CHEMBL53850,7.0,nM,CNc1ccc2ncncc2c1,8.154901959985743,159.079647288,3,1,1.6714999999999998,True
890,CHEMBL3233020,7.0,nM,O=C(/C=C/CN1CC2(COC2)C1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.154901959985743,459.093201748,7,2,4.054300000000002,True
891,CHEMBL3671570,7.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(=O)CN1CCCCC1,8.154901959985743,570.139029076,7,3,4.380400000000003,True
892,CHEMBL57759,7.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)C,8.154901959985743,390.12588178,6,1,4.114900000000003,True
893,CHEMBL3622670,7.0,nM,CC(C)NC/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,8.154901959985743,499.178645624,7,3,4.826300000000003,True
895,CHEMBL4237916,7.1,nM,CCCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12,8.148741651280925,297.147726848,5,0,4.087920000000003,True
896,CHEMBL597551,7.1,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC(=O)NO,8.148741651280925,406.08441089199994,7,3,3.448800000000001,True
897,CHEMBL3935007,7.1,nM,C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(Br)c4)ncnc3cc2OC)CC1,8.148741651280925,482.0953526960001,6,1,4.700300000000004,True
898,CHEMBL340508,7.1,nM,NNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.148741651280925,330.02285645200004,6,3,2.8165000000000004,True
899,CHEMBL340399,7.2,nM,Cc1cccc(Nc2ncnc3cc(NCCc4c[nH]cn4)ncc23)c1,8.142667503568731,345.17019360800003,6,3,3.4545200000000014,True
900,CHEMBL3086106,7.2,nM,C=CC(=O)N1CC[C@H](N2C(=O)N(c3ccccc3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(OC)c4)nc32)C1,8.142667503568731,568.2910370120001,8,1,3.714100000000003,True
901,CHEMBL4239716,7.2,nM,CSc1ccc(N(C)c2ncnc3occ(C)c23)cc1,8.142667503568731,285.0935831,5,0,4.021020000000004,True
902,CHEMBL4079768,7.2,nM,C#Cc1cccc(Nc2ncnc3ccc(OCCCOP(N)(=O)N(CCCl)CCCl)cc23)c1,8.142667503568731,521.115031682,6,2,4.986600000000004,True
903,CHEMBL3612587,7.3,nM,CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4cc(C(=O)OCC)ccc4O)c3cc21,8.136677139879545,480.1644991079999,11,2,3.5069000000000017,True
904,CHEMBL4105526,7.4,nM,C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3C3CC3)ccn2)c1,8.130768280269024,421.15724597600007,6,3,4.947700000000003,True
905,CHEMBL129825,7.4,nM,CN(C)CCCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.130768280269024,414.11675683600004,6,2,4.284600000000003,True
909,CHEMBL39811,7.5,nM,CN(C)CCN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12,8.1249387366083,452.1324069,5,2,4.6106000000000025,True
910,CHEMBL4089951,7.6,nM,CCC(=O)N1CC[C@H](N2C(=O)N(c3ccccc3C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1,8.119186407719209,568.32742252,7,1,4.546340000000004,True
911,CHEMBL300217,7.6,nM,Nc1ccc2ncnc(Nc3cccc(Br)c3)c2n1,8.119186407719209,315.01195742000004,5,2,3.113100000000001,True
912,CHEMBL3910915,7.6,nM,C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Br)c(C)c4)ncnc3cc2OC)CC1,8.119186407719209,496.1110027600001,6,1,5.008720000000004,True
913,CHEMBL136404,7.7,nM,C/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1,8.113509274827518,383.0381721680001,5,2,4.045500000000002,True
915,CHEMBL2048789,7.8,nM,O=C1NCc2ccc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)cc21,8.10790539730952,435.109817116,7,3,3.856300000000002,True
916,CHEMBL597752,7.8,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC(=O)NO,8.10790539730952,420.10006095599994,7,3,3.8389000000000015,True
917,CHEMBL4072874,7.8,nM,C=CC(=O)Nc1cccc(-c2c[nH]c3nccc(-c4[nH]c(-c5ccccc5)nc4-c4ccc(F)cc4)c23)c1,8.10790539730952,499.18083854400004,3,3,7.2176000000000045,True
918,CHEMBL3622677,7.9,nM,C#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)/C=C/CNC4CC4)cc23)c1,8.102372908709558,413.18517497600004,6,3,3.610000000000002,True
919,CHEMBL357570,7.9,nM,CCNc1cc2sc3c(Nc4cccc(Br)c4)ncnc3c2cc1F.CCO,8.102372908709558,462.05252258,6,3,5.920100000000004,True
920,CHEMBL255871,8.0,nM,CO/N=C/c1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1,8.096910013008056,391.155686416,8,2,3.3198000000000025,True
921,CHEMBL3671494,8.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(=O)C1CC1,8.096910013008056,513.081179852,6,3,4.3045000000000035,True
922,CHEMBL461968,8.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN(C)[C@@H](C)C(N)=O,8.096910013008056,417.13678081200004,6,2,3.480100000000002,True
923,CHEMBL2087359,8.0,nM,Brc1cccc(Nc2ncnc3cc4c(cc23)OCCCSCCCO4)c1,8.096910013008056,445.04595997999996,6,1,5.420500000000003,True
924,CHEMBL3233778,8.0,nM,CCN(CC)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.096910013008056,433.1139371920001,6,2,5.063900000000003,True
925,CHEMBL123189,8.0,nM,COc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,8.096910013008056,380.115236844,6,3,4.370600000000002,True
926,CHEMBL266995,8.0,nM,Oc1cc(O)c2c(O)c(-c3cccc(Cl)c3)cnc2c1,8.096910013008056,287.03492086,4,3,3.6720000000000024,True
927,CHEMBL120979,8.0,nM,COc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,8.096910013008056,366.09958678,6,3,4.502100000000002,True
928,CHEMBL3759356,8.0,nM,C[C@@H](Nc1ncnc2sc(-c3cccc(C(=O)O)c3)cc12)c1ccccc1,8.096910013008056,375.104147784,5,2,5.229600000000003,True
929,CHEMBL3416594,8.0,nM,COc1ccccc1-c1cc2c(NC(CO)c3ccccc3)ncnc2s1,8.096910013008056,377.11979784800013,6,2,4.512400000000002,True
930,CHEMBL461967,8.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CNC(=O)[C@H]1CCCCN1C,8.096910013008056,457.16808094000004,6,2,4.275000000000003,True
934,CHEMBL3676384,8.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OCCNC(=O)NCC,8.096910013008056,550.053106532,6,4,4.750800000000003,True
935,CHEMBL122182,8.0,nM,Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,8.096910013008056,352.083936716,6,4,4.199100000000001,True
936,CHEMBL3786523,8.0,nM,C=CC(=O)N1C[C@H](COC)[C@@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)C1,8.096910013008056,445.1629153080001,8,2,2.374199999999999,True
937,CHEMBL293090,8.0,nM,CNCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,8.096910013008056,376.110231716,6,2,3.772700000000002,True
938,CHEMBL91867,8.0,nM,CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.096910013008056,380.027273136,4,2,4.0977000000000015,True
939,CHEMBL1914658,8.0,nM,Br.C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1F,8.096910013008056,428.064801516,4,3,5.220600000000004,True
940,CHEMBL257430,8.0,nM,Clc1cc(Nc2ncnc3[nH]nc(OCCN4CCNCC4)c23)ccc1OCc1ccccn1,8.096910013008056,480.17889972000006,9,3,3.0079000000000002,True
941,CHEMBL402553,8.0,nM,Clc1cc(Nc2ncnc3[nH]nc(OCCN4CCCC4)c23)ccc1OCc1ccccn1,8.096910013008056,465.168000688,8,2,4.198500000000003,True
942,CHEMBL3647423,8.0,nM,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/[C@H]1CCCN1C,8.096910013008056,469.16808094000004,6,2,5.153500000000005,True
943,CHEMBL1272061,8.0,nM,C=CC(=O)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c23)C1,8.096910013008056,380.13069687999996,6,2,2.9075000000000015,True
944,CHEMBL4205392,8.0,nM,C=CC(=O)N[C@@H]1CN(c2nc(Nc3cn(C)nc3OC)c3ncn(CC)c3n2)C[C@H]1F,8.096910013008056,429.20369922800006,10,2,1.1607999999999992,True
946,CHEMBL60826,8.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)Cn1ccnc1,8.096910013008056,443.116045368,8,2,3.810900000000002,True
947,CHEMBL497459,8.0,nM,CN(C)/N=C/c1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1,8.096910013008056,404.187320892,8,2,3.235000000000002,True
948,CHEMBL3897363,8.0,nM,CN1CCN(c2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2Cl)CC1,8.096910013008056,574.0730930279999,10,1,3.6246000000000027,True
949,CHEMBL3663929,8.0,nM,C=CC(=O)N1CC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1,8.096910013008056,562.3379872040001,9,2,2.2634000000000016,True
950,CHEMBL3786802,8.0,nM,C=CC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)[C@@H](C(F)(F)F)C1,8.096910013008056,469.12408518800004,7,2,3.2901000000000007,True
951,CHEMBL56912,8.0,nM,COCCNCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,8.096910013008056,420.136446464,7,2,3.7893000000000017,True
953,CHEMBL473427,8.0,nM,Fc1cccc(COc2ccc(Nc3ncnc4cc(-c5cccs5)sc34)cc2Cl)c1,8.096910013008056,467.03291,6,1,7.534900000000002,True
954,CHEMBL207687,8.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O,8.096910013008056,417.13678081200004,6,2,3.480100000000002,True
955,CHEMBL3233776,8.0,nM,O=C(/C=C/CNCc1ncccn1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.096910013008056,469.08878506400004,8,3,4.301900000000002,True
956,CHEMBL3758951,8.0,nM,C[C@@H](Nc1ncnc2sc(-c3ccc(F)c(C=O)c3)cc12)c1ccccc1,8.096910013008056,377.09981135199996,5,1,5.483000000000004,True
957,CHEMBL206783,8.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O,8.096910013008056,443.15243087600004,6,2,4.014300000000003,True
959,CHEMBL162053,8.1,nM,CN(C)CCN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1,8.09151498112135,400.1011067720001,6,1,3.5287000000000015,True
960,CHEMBL3622649,8.1,nM,C#Cc1cccc(Nc2ncnc3cc(OC4CCN(C)CC4)c(NC(=O)/C=C/CN(C)C)cc23)c1,8.09151498112135,484.25867426400004,7,2,3.884000000000002,True
961,CHEMBL4095271,8.1,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(/C=C/c4ccc(C)cc4C)cc3)ncc2F)c1,8.09151498112135,479.21213867200004,5,3,7.014640000000005,True
962,CHEMBL4075917,8.1,nM,Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3ccc(F)cc3O)cc12,8.09151498112135,454.180504196,5,4,5.590520000000004,True
963,CHEMBL1243284,8.12,nM,CNC/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cc1OCCF,8.090443970758825,471.127359,6,3,4.7049800000000035,True
964,CHEMBL1204261,8.17,nM,CCOc1cc2ncnc(Nc3cccc(F)c3)c2cc1OCC.Cl,8.087777943467584,363.114982748,5,1,4.731700000000004,True
965,CHEMBL598611,8.2,nM,C#Cc1cccc(Nc2ncnc3cc(OCCCCCCC(=O)NO)c(OC)cc23)c1,8.086186147616283,434.19540531199993,7,3,4.198000000000002,True
966,CHEMBL3357654,8.3,nM,COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)/C(F)=C/CN(C)C,8.080921907623926,473.086265232,6,2,4.498000000000003,True
967,CHEMBL4089892,8.39,nM,OCCCCc1nc(-c2ccc(F)cc2)c(-c2ccnc3[nH]c(-c4ccccc4)cc23)[nH]1,8.0762380391713,426.18558957600004,3,3,5.741100000000005,True
968,CHEMBL129824,8.4,nM,CN(C)CCCCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.075720713938118,428.13240690000003,6,2,4.674700000000003,True
970,CHEMBL4097369,8.4,nM,O=C(Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)c1ccco1,8.075720713938118,408.022187756,5,2,4.981200000000003,True
971,CHEMBL597200,8.43,nM,O=C(COc1ccc(F)cc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.074172425375258,466.04406607199996,5,2,5.292500000000002,True
973,CHEMBL460736,8.6,nM,CN(N)C/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ccnc2cn1,8.065501548756432,426.08037132800007,6,3,3.4361000000000015,True
974,CHEMBL93464,8.7,nM,C/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.060480747381382,382.0429232,4,2,4.650500000000003,True
976,CHEMBL4171543,8.7,nM,C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cn1,8.060480747381382,392.104003464,3,3,5.170500000000002,True
977,CHEMBL3612595,8.7,nM,CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4cccc(O)c4)c3cc21,8.060480747381382,408.14336973999997,9,2,3.3302000000000023,True
978,CHEMBL3087205,8.8,nM,C=CC(=O)N1CC[C@H](N2C(=O)N(Cc3ccccc3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)C1,8.05551732784983,582.3066870760001,8,1,3.7097000000000024,True
979,CHEMBL126893,8.8,nM,CN(C)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.05551732784983,400.10110677200004,6,2,3.8945000000000016,True
980,CHEMBL2048798,8.8,nM,OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)c21,8.05551732784983,436.076074464,7,2,5.827600000000003,True
981,CHEMBL39355,8.8,nM,Brc1cccc(Nc2ncnc3cc4c(cnn4CCCN4CCOCC4)cc23)c1,8.05551732784983,466.11167145600007,7,1,4.207900000000002,True
982,CHEMBL136058,8.8,nM,O=C(/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1)NCCCN1CCOCC1,8.05551732784983,539.1280497920002,8,3,2.8641000000000005,True
983,CHEMBL2029431,8.81,nM,C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC(C)C)nc32)c1,8.055024091587953,556.2910370120001,8,2,4.587200000000005,True
984,CHEMBL3622654,8.9,nM,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C1CC1,8.050609993355087,499.17864562400007,7,2,4.780000000000004,True
985,CHEMBL4103464,8.9,nM,O=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.050609993355087,447.069472296,4,3,5.457600000000003,True
986,CHEMBL4075530,8.9,nM,Oc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1,8.050609993355087,465.02589323200004,5,4,5.650400000000002,True
988,CHEMBL1203935,8.95,nM,CCOc1cc2ncnc(Nc3cc(F)cc(C(F)(F)F)c3)c2cc1OCC.Cl,8.048176964684089,431.10236737599996,5,1,5.750500000000003,True
989,CHEMBL385471,9.0,nM,COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCC1CCN(C)CC1,8.045757490560675,430.157181908,6,1,4.895100000000004,True
990,CHEMBL3633940,9.0,nM,NC(=O)Nc1ccc(C(=O)Nc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)cc1,8.045757490560675,450.100729652,5,4,4.908800000000002,True
991,CHEMBL514566,9.0,nM,Nc1ncnc(Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)c1/C=N/N1CCN(CCO)CC1,8.045757490560675,489.24008473600003,10,3,2.2832999999999997,True
992,CHEMBL3957801,9.0,nM,CCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1,8.045757490560675,487.178645624,7,2,4.615500000000004,True
993,CHEMBL4280817,9.0,nM,O=C1CSC(N2N=C(c3ccncc3)CC2c2ccc(Br)cc2)=N1,8.045757490560675,399.99934413600005,5,0,3.6246000000000027,True
994,CHEMBL208118,9.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O,8.045757490560675,417.13678081200004,6,2,3.480100000000002,True
996,CHEMBL3671533,9.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(=O)CCN(C)C,8.045757490560675,544.1233790120001,7,3,3.846200000000003,True
997,CHEMBL469355,9.0,nM,NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1,8.045757490560675,450.013571524,8,3,4.013400000000002,True
998,CHEMBL3671492,9.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCN(C)C,8.045757490560675,473.0862652320001,6,2,4.339900000000004,True
999,CHEMBL506414,9.0,nM,Fc1cccc(COc2ccc(Nc3ncnc4sc(-c5cccs5)cc34)cc2Cl)c1,8.045757490560675,467.03291,6,1,7.534900000000002,True
1000,CHEMBL517130,9.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN(C)[C@H](C)C(N)=O,8.045757490560675,417.13678081200004,6,2,3.480100000000002,True
1001,CHEMBL3622644,9.0,nM,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)cc3)ncnc2cc1O[C@H]1CCOC1,8.045757490560675,540.248503504,9,2,4.571400000000003,True
1002,CHEMBL3940909,9.0,nM,C=CC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(F)c(Cl)c4F)c3c2)C1,8.045757490560675,430.100809904,5,1,4.4707000000000034,True
1004,CHEMBL569880,9.0,nM,C=CC(=O)N1CCC[C@H]1C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCCOC,8.045757490560675,531.148488368,7,2,4.445700000000003,True
1005,CHEMBL1914660,9.0,nM,Br.C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1cccc(F)c1,8.045757490560675,428.064801516,4,3,5.220600000000004,True
1006,CHEMBL425601,9.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CN(C(C)C)C1,8.045757490560675,486.19463003600004,7,2,3.554400000000003,True
1007,CHEMBL207130,9.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CCN(C)CC1,8.045757490560675,486.19463003600004,7,2,3.5560000000000027,True
1008,CHEMBL3416447,9.0,nM,COc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1,8.045757490560675,361.1248832280001,5,1,5.540000000000004,True
1009,CHEMBL3787220,9.0,nM,C=CC(=O)N1C[C@H](F)[C@@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)C1,8.045757490560675,419.1272787480001,7,2,2.4497,True
1010,CHEMBL1272324,9.0,nM,CCN(CC)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c23)C1,8.045757490560675,465.219846232,7,2,3.619500000000002,True
1011,CHEMBL3759478,9.0,nM,OC[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1,8.045757490560675,347.109233164,5,2,4.503800000000004,True
1012,CHEMBL1645473,9.0,nM,NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1,8.045757490560675,356.151622352,6,2,3.0494000000000003,True
1013,CHEMBL3676355,9.0,nM,C=CC(=O)Nc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OCCNC(=O)CN(C)C,8.045757490560675,564.068756596,7,3,4.109500000000003,True
1014,CHEMBL301018,9.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC,8.045757490560675,333.068032556,5,1,4.183100000000002,True
1015,CHEMBL3676360,9.0,nM,C=CC(=O)Nc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OCCNC(=O)CN(C)C,8.045757490560675,520.119272176,7,3,4.000400000000003,True
1016,CHEMBL3085374,9.0,nM,COc1cc2ncnc(C#C[C@](C)(O)Cc3ccccc3)c2cc1OC,8.045757490560675,348.14739249999997,5,1,2.9922000000000013,True
1017,CHEMBL53940,9.0,nM,CNc1cc2c(Nc3ccccc3)ncnc2cn1,8.045757490560675,251.11709541599998,5,2,2.8101000000000003,True
1019,CHEMBL3930539,9.0,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Cn4ccnc4)cc3)ncc2F)c1,8.045757490560675,429.17133648000004,7,3,4.472200000000001,True
1020,CHEMBL257860,9.0,nM,OC1CCN(CCCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1,8.045757490560675,509.194215436,9,3,3.949500000000003,True
1021,CHEMBL3758990,9.0,nM,COC(=O)c1cccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c1OC,8.045757490560675,419.1303625320001,7,1,5.3266000000000036,True
1022,CHEMBL77452,9.0,nM,OCCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1,8.045757490560675,428.16708238800004,5,4,5.660200000000003,True
1023,CHEMBL91009,9.0,nM,COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.045757490560675,410.03783782,5,2,3.7242000000000015,True
1024,CHEMBL81712,9.0,nM,O=C(c1ccccc1)c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1,8.045757490560675,370.08883206800004,5,2,5.1472000000000016,True
1025,CHEMBL3233784,9.0,nM,O=C(/C=C/CN1CCCCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.045757490560675,445.1139371920001,6,2,5.208000000000003,True
1027,CHEMBL214478,9.0,nM,COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OC1CCN(CC(N)=O)CC1,8.045757490560675,459.147345496,7,2,3.503000000000002,True
1028,CHEMBL3814182,9.05,nM,S=C(NCCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2c1,8.043351420794796,476.09528568400003,6,3,4.298800000000003,True
1030,CHEMBL3956430,9.1,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCn4ccnc4)cc3)ncc2F)c1,8.040958607678906,459.18190116400007,8,3,4.502900000000003,True
1031,CHEMBL4092951,9.1,nM,CNC(=S)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.040958607678906,387.015328548,4,3,4.052100000000002,True
1033,CHEMBL3219125,9.14,nM,C=CC(=O)Nc1cccc(N2C(=O)CN(C)C(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.03905380426617,556.2546515040001,9,2,2.8554000000000004,True
1035,CHEMBL435993,9.2,nM,OCCN(CCO)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.036212172654444,446.1065860760001,8,4,2.229399999999999,True
1036,CHEMBL3639542,9.2,nM,CC(C)N(C)C/C=C/C(=O)N1CCc2sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2C1,8.036212172654444,489.11568678000003,6,1,5.5228000000000055,True
1037,CHEMBL3805039,9.2,nM,C#Cc1cccc(Nc2ncnc3cc(OCC)c4c(c23)OCCO4)c1,8.036212172654444,347.12699140399997,6,1,3.524600000000002,True
1038,CHEMBL604914,9.25,nM,O=C(COc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.033858267260968,448.053487884,5,2,5.153400000000003,True
1039,CHEMBL129509,9.3,nM,Cc1cccc(Nc2ncnc3cc(NCCCN4CCOCC4)ncc23)c1,8.031517051446064,378.21680945199995,7,2,3.2110200000000013,True
1040,CHEMBL3971939,9.3,nM,C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(C)c4)ncnc3cc2OC)CC1,8.031517051446064,418.200490692,6,1,4.246220000000004,True
1041,CHEMBL1203939,9.31,nM,CCOc1cc2ncnc(Nc3ccccc3F)c2cc1OCC.Cl,8.031050319018657,363.114982748,5,1,4.731700000000004,True
1042,CHEMBL596736,9.4,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC(=O)NO,8.0268721464003,434.11571101999994,7,3,4.229000000000002,True
1043,CHEMBL357367,9.4,nM,CCO.Nc1ccc2sc3c(Nc4ccccc4)ncnc3c2c1,8.0268721464003,338.12013219600004,6,3,4.168900000000002,True
1044,CHEMBL4075103,9.5,nM,NS(=O)(=O)c1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1,8.022276394711152,528.0037778840001,6,4,4.592200000000002,True
1046,CHEMBL3752204,9.5,nM,CN(C)/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,8.022276394711152,471.147345496,7,2,4.347400000000002,True
1047,CHEMBL3622667,9.6,nM,O=C(/C=C/CNC1CC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC(F)F,8.017728766960431,477.11793718800004,6,3,5.014000000000002,True
1048,CHEMBL53796,9.6,nM,CN(C)c1ccc2ncnc(Nc3cccc(Br)c3)c2n1,8.017728766960431,343.04325754800004,5,1,3.5969000000000015,True
1049,CHEMBL3805238,9.7,nM,CCOc1cc2ncnc(Nc3cccc([N+](=O)[O-])c3)c2c2c1OCCO2,8.013228265733755,368.1120696119999,8,1,3.451500000000002,True
1051,CHEMBL2148051,9.8,nM,CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21)S(C)(=O)=O,8.008773924307505,547.0847805759998,8,2,4.823300000000003,True
1053,CHEMBL419137,10.0,nM,COc1cc2ncnc(NC3CC3c3ccccc3)c2cc1OC,8.0,321.147726848,5,1,3.615000000000002,True
1054,CHEMBL3086102,10.0,nM,C=CC(=O)N1CC[C@H](N2C(=O)N(c3ccccc3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1,8.0,552.296122392,7,1,4.013920000000003,True
1055,CHEMBL93181,10.0,nM,COc1ccc2c(Nc3cccc(Br)c3)ncnc2c1,8.0,329.016374104,4,1,4.1445000000000025,True
1056,CHEMBL382823,10.0,nM,COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O,8.0,461.16299556000007,7,2,3.4967000000000006,True
1057,CHEMBL207445,10.0,nM,COCC[C@@H](C(N)=O)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC,8.0,461.16299556,7,2,3.4967000000000015,True
1058,CHEMBL325245,10.0,nM,COc1cc2ncnc(NCc3ccccc3)c2cc1OC,8.0,295.132076784,5,1,3.259100000000002,True
1059,CHEMBL311129,10.0,nM,Cc1c(-c2ccccc2)[nH]c2ncnc(Nc3cccc(Cl)c3)c12,8.0,334.09852416,3,2,5.330320000000001,True
1060,CHEMBL14699,10.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCOCC1,8.0,432.13644646399996,7,1,3.885500000000003,True
1062,CHEMBL300791,10.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCN(C)CC1,8.0,445.16808094000004,7,1,3.8007000000000026,True
1063,CHEMBL3786343,10.0,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1,8.0,486.183795072,8,2,5.103500000000004,True
1064,CHEMBL3655348,10.0,nM,CN(C)C/C=C/C(=O)N1CCc2c(sc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c23)C1,8.0,469.11393719200004,6,1,4.706580000000003,True
1065,CHEMBL4086878,10.0,nM,C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3C)ccn2)c1,8.0,395.14159591200007,6,3,4.378720000000002,True
1067,CHEMBL135902,10.0,nM,COc1cc2ncnc(Sc3cccc(Cl)c3)c2cc1OC,8.0,332.038626336,5,0,4.451600000000003,True
1069,CHEMBL3671493,10.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCCNC(C)=O,8.0,515.096829916,6,3,4.694600000000004,True
1070,CHEMBL181617,10.0,nM,ClCCNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,8.0,376.00903622799996,4,2,4.786600000000003,True
1072,CHEMBL3752448,10.0,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C3CC3)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,8.0,551.2644879160001,9,2,4.2866000000000035,True
1073,CHEMBL251124,10.0,nM,CCOc1cc2ncnc(C#Cc3[nH]ccc3-c3ccccc3)c2cc1OCC,8.0,383.163376912,4,1,4.822100000000003,True
1074,CHEMBL3622638,10.0,nM,COCCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)/C=C/CN(C)C,8.0,528.248503504,9,2,4.428900000000003,True
1075,CHEMBL469354,10.0,nM,NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4cccc(Br)c4)c3s2)cc1,8.0,475.9724777560001,8,3,3.9834000000000014,True
1076,CHEMBL52076,10.0,nM,Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,8.0,315.01195742000004,5,2,3.113100000000001,True
1077,CHEMBL3965948,10.0,nM,O=C(CBr)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(N5CCOCC5)c(Cl)c4)c3cc21,8.0,561.0414585520001,10,1,3.7094000000000023,True
1078,CHEMBL4100655,10.0,nM,C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(F)c3)c3c(N)ncnc32)C1,8.0,366.1604374480001,6,1,2.5641,True
1079,CHEMBL1645466,10.0,nM,C#Cc1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1,8.0,346.190594704,6,2,2.377300000000001,True
1080,CHEMBL3233774,10.0,nM,O=C(/C=C/CNCC1COC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,8.0,447.093201748,7,3,3.9581000000000017,True
1081,CHEMBL205149,10.0,nM,COc1cc(OC2CCNCC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1,8.0,402.12588178000004,6,2,4.305300000000003,True
1082,CHEMBL300491,10.0,nM,COc1ccc2cncnc2c1,8.0,160.063662876,3,0,1.6383999999999999,True
1083,CHEMBL276154,10.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1,8.0,416.141531844,6,1,4.6475000000000035,True
1084,CHEMBL1645476,10.0,nM,NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1,8.0,374.14220054,6,2,3.1885000000000003,True
1085,CHEMBL4099713,10.0,nM,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccccc3)c3c(N)ncnc32)C1,8.0,348.16985926000007,6,1,2.4250000000000007,True
1086,CHEMBL470011,10.0,nM,Fc1ccc(Nc2ncnc3nc(Nc4ccc(CN5CCCCC5)cc4)sc23)cc1Cl,8.0,468.12992160399995,7,2,6.351900000000004,True
1088,CHEMBL208292,10.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(N)=O,8.0,429.13678081200004,6,2,3.624200000000002,True
1089,CHEMBL207235,10.0,nM,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1C[C@H](OC)C[C@@H]1C(N)=O,8.0,459.147345496,7,2,3.249100000000001,True
1092,CHEMBL479800,10.0,nM,Fc1cccc(COc2ccc(Nc3ncnc4cc(-c5ccco5)sc34)cc2Cl)c1,8.0,451.05575362,6,1,7.0664000000000025,True
1093,CHEMBL461792,10.08,nM,COC[C@H]1Oc2cc3ncnc(Nc4cccc(Cl)c4)c3cc2O[C@@H]1COC,7.996539467890494,401.11423379999997,7,1,3.828000000000002,True
1094,CHEMBL4250273,10.1,nM,COc1ccc(N(c2ncnc3occ(C)c23)C(C)C)cc1,7.995678626217357,297.147726848,5,0,4.086320000000003,True
1095,CHEMBL3219130,10.18,nM,C=CC(=O)Nc1cccc(N2C(=O)C(C(C)CC)N(C)C(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,7.99225222199926,612.31725176,9,2,4.270100000000004,True
1096,CHEMBL4065288,10.2,nM,S=C(Nc1cccnc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,7.991399828238082,450.02622758,5,3,5.339800000000002,True
1097,CHEMBL4066170,10.2,nM,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccc(F)cc34)n2)c(OC)cc1N(C)CC[N+](C)(C)[O-],7.991399828238082,533.2550661040001,8,2,4.661500000000004,True
1100,CHEMBL4287141,10.5,nM,C=C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4cc(F)ccc34)n2)c(OC)cc1N(C)CCN(C)C,7.978810700930062,529.2601514840001,8,2,4.804000000000004,True
1101,CHEMBL4079553,10.71,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,7.970210529168144,522.1681405159999,10,5,1.702599999999999,True
1104,CHEMBL4125840,10.8,nM,C=CC(=O)N1CC[C@H](Nc2nc(Nc3ccccc3)nc3cnc(Nc4ccc(N5CCN(C)CC5)cn4)cc23)C1,7.966576244513051,550.2917057080001,10,3,3.8576000000000024,True
1107,CHEMBL1928315,10.8,nM,O=C(c1cc2ccccc2s1)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1,7.966576244513051,439.0016098720001,6,1,6.6731000000000025,True
1108,CHEMBL4082763,10.9,nM,C=CC(=O)Nc1cc(Nc2cc(-c3cn(C)c4ccccc34)nc(OC)n2)c(OC)cc1N(C)CCN(C)C,7.962573502059376,529.2801379800001,9,2,4.518400000000003,True
1109,CHEMBL3805236,10.9,nM,C#Cc1cccc(Nc2ncnc3cc(OC)c4c(c23)OCCO4)c1,7.962573502059376,333.11134133999997,6,1,3.134500000000002,True
1110,CHEMBL3754564,11.0,nM,C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OCC)nc32)c1,7.958607314841775,539.264487916,9,2,4.107720000000003,True
1111,CHEMBL517907,11.0,nM,C#Cc1cccc(Nc2ncnc3ccc(OCCCCNCCS(C)(=O)=O)cc23)c1,7.958607314841775,438.172561692,7,2,3.1479000000000017,True
1112,CHEMBL2110732,11.0,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1,7.958607314841775,469.16808094000004,6,2,5.1551000000000045,True
1113,CHEMBL511990,11.0,nM,OC[C@@H]1CCCN1Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1,7.958607314841775,484.12483622400003,8,3,5.322700000000004,True
1115,CHEMBL90013,11.0,nM,CN(C)c1ccc2c(Nc3cccc(Br)c3)ncnc2c1,7.958607314841775,342.04800858000004,4,1,4.201900000000003,True
1116,CHEMBL52784,11.0,nM,CN(C)c1ccc2cncnc2c1,7.958607314841775,173.095297352,3,0,1.6957999999999998,True
1117,CHEMBL94061,11.0,nM,CN(C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,7.958607314841775,425.08512236,5,2,4.192200000000002,True
1119,CHEMBL3671489,11.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCNC(=O)NCC,7.958607314841775,530.107728948,6,4,4.487500000000003,True
1120,CHEMBL544867,11.0,nM,Cc1cccc(Nc2ncnc3c2sc2ccc([N+](=O)[O-])cc23)c1.Cl,7.958607314841775,372.044774336,6,1,5.226520000000003,True
1121,CHEMBL208594,11.0,nM,CNc1ccc2ncnc(Nc3cccc(C)c3)c2c1,7.958607314841775,264.137496512,4,2,3.7235200000000015,True
1123,CHEMBL134312,11.0,nM,CN(C)/N=N/c1ccc2ncnc(Nc3cccc(Br)c3)c2c1,7.958607314841775,370.05415658,5,1,4.696200000000003,True
1126,CHEMBL345294,11.0,nM,Brc1cccc(Nc2ncnc3ccsc23)c1,7.958607314841775,304.96223035599996,4,1,4.197400000000001,True
1127,CHEMBL125920,11.0,nM,CCOc1cc2ncnc(Nc3cccc(-c4cc[nH]n4)c3)c2cc1OCC,7.958607314841775,375.169524912,6,2,4.560900000000003,True
1128,CHEMBL340862,11.0,nM,CCOc1cc2ncnc(Nc3cccc(-c4cncs4)c3)c2cc1OCC,7.958607314841775,392.13069687999996,7,1,5.294300000000003,True
1129,CHEMBL1683973,11.0,nM,Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCCN1CCCC1,7.958607314841775,478.193567416,5,1,6.127620000000006,True
1130,CHEMBL3908303,11.0,nM,C[C@@H](Nc1ncnc2oc(-c3ccccc3)cc12)c1ccccc1,7.958607314841775,315.137162164,4,1,5.0629000000000035,True
1131,CHEMBL4087570,11.0,nM,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(/C=C/c4cc(C)cc(C)c4)cc3)ncc2F)c1,7.958607314841775,479.21213867200004,5,3,7.014640000000005,True
1132,CHEMBL4070454,11.2,nM,Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccnc4[nH]c(-c5ccccc5)cc34)[nH]2)cc1,7.950781977329818,428.16371126,3,3,6.659600000000005,True
1136,CHEMBL4091921,11.4,nM,S=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1,7.943095148663527,419.097144256,4,3,5.5134000000000025,True
1138,CHEMBL4100647,11.42,nM,CC1(C)OOC2(CCC(C(=O)Nc3ccc4ncnc(Nc5cccc(Cl)c5)c4c3)CC2)OO1,7.942333896090171,484.15134758,8,2,5.497900000000004,True
1140,CHEMBL4080008,11.6,nM,C=CC(=O)Nc1cc(Nc2nccc(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N1CC(CN(C)C)C1,7.935542010773082,537.28522336,8,2,4.919000000000003,True
1142,CHEMBL251314,11.7,nM,CCOc1cc2ncnc(C#CC(C)(Cc3ccccc3)N3CCC(C(=O)O)CC3)c2cc1OCC,7.931814138253838,487.24710653599993,6,1,4.576700000000003,True
1144,CHEMBL328691,12.0,nM,COC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,7.920818753952375,372.022187756,5,2,4.314200000000002,True
1145,CHEMBL3114699,12.0,nM,C#Cc1cccc(Nc2ncnc3cc4c(cc23)N(C(=O)/C=C/CN2CCOCC2)CCO4)c1,7.920818753952375,455.19573965999996,7,1,2.9685000000000015,True
1146,CHEMBL511637,12.0,nM,Fc1ccc(Nc2ncnc3nc(Nc4ccc(CN5CCOCC5)cc4)sc23)cc1Cl,7.920818753952375,470.10918616,8,2,5.1982000000000035,True
1147,CHEMBL513208,12.0,nM,CN(C)Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1,7.920818753952375,428.098621476,7,2,5.427600000000003,True
1148,CHEMBL3989970,12.0,nM,C=CC(=O)N[C@@H]1CN(c2nc(Nc3cn(C)nc3OC)c3ncn(C)c3n2)C[C@H]1F,7.920818753952375,415.18804916400006,10,2,0.6778999999999995,True
1149,CHEMBL205798,12.0,nM,CC(=O)Nc1cccc(C#Cc2cncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1,7.920818753952375,486.12588178,5,2,5.949900000000004,True
1150,CHEMBL256297,12.0,nM,CO/N=C/c1c(N)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1,7.920818753952375,401.10548068400004,7,2,4.154200000000002,True
1152,CHEMBL328704,12.0,nM,CCN(CC)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,7.920818753952375,451.100772424,5,2,4.4196000000000035,True
1154,CHEMBL2408045,12.0,nM,CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1,7.920818753952375,473.16299556000007,7,2,3.763700000000002,True
1155,CHEMBL2178349,12.0,nM,CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C)c4n3)cc2)CC1,7.920818753952375,414.228042832,8,2,3.6023000000000023,True
1156,CHEMBL3919447,12.0,nM,C=CC(=O)N1CC[C@H](Oc2cc3c(N[C@H](C)c4ccccc4)ncnc3cc2OC)C1,7.920818753952375,418.200490692,6,1,3.9772000000000034,True
1157,CHEMBL3958006,12.0,nM,O=C(/C=C/CN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1,7.920818753952375,442.13202978000004,7,2,3.3878000000000004,True
1158,CHEMBL3671571,12.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(=O)CN1CCN(C)CC1,7.920818753952375,585.149928108,8,3,3.1419000000000024,True
1159,CHEMBL4076363,12.0,nM,NCCCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1,7.920818753952375,419.15799492400004,5,3,5.4623000000000035,True
1160,CHEMBL399372,12.0,nM,CCOc1cc2ncnc(C#Cc3nccn3-c3ccccc3)c2cc1OCC,7.920818753952375,384.15862588,6,0,4.012700000000003,True
1161,CHEMBL497697,12.0,nM,CN/N=C/c1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1,7.920818753952375,390.171670828,8,3,2.8928000000000003,True
1162,CHEMBL1271561,12.0,nM,C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(C)C)C3)c1ccccc1,7.920818753952375,421.19363148400004,6,1,3.866900000000003,True
1164,CHEMBL1271562,12.0,nM,CC[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(C)C)C3)c1ccccc1,7.920818753952375,435.20928154800004,6,1,4.257000000000003,True
1165,CHEMBL3671580,12.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCNC(C)=O,7.920818753952375,443.116045368,6,3,3.8053000000000017,True
1167,CHEMBL3639752,12.0,nM,C=CC(=O)Nc1cc2c(Nc3cc(F)c(Br)cc3F)ncnc2cc1OCCNC(C)=O,7.920818753952375,505.056107976,6,3,4.053500000000002,True
1168,CHEMBL3655343,12.0,nM,CN(C)C/C=C/C(=O)N1Cc2sc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2C1,7.920818753952375,431.09828712800004,6,1,4.187400000000003,True
1169,CHEMBL1914670,12.0,nM,C[C@@H](Nc1ncnc2[nH]c(-c3ccc(C#N)cc3)cc12)c1ccccc1,7.920818753952375,339.148395544,4,2,4.669680000000003,True
1170,CHEMBL256295,12.0,nM,Nc1ncnc(Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)c1/C=N/O,7.920818753952375,377.140036352,8,3,3.1476000000000015,True
1171,CHEMBL128759,12.0,nM,OCCN(CCO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1,7.920818753952375,403.064386916,7,3,2.3218999999999994,True
1172,CHEMBL37543,12.0,nM,OCC(O)Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21,7.920818753952375,413.04873685200005,7,3,2.8388,True
1173,CHEMBL420254,12.0,nM,CCNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1,7.920818753952375,342.04800858000004,4,2,4.567700000000002,True
1174,CHEMBL4074601,12.1,nM,CC(=O)N1CC[C@H](N2C(=O)N(c3ccccc3Cl)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1,7.91721462968355,574.25715004,7,1,4.501220000000004,True
1175,CHEMBL2334002,12.1,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN,7.91721462968355,405.13678081200004,7,3,3.1016000000000004,True
1176,CHEMBL3680378,12.13,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCCC1,7.916139199133427,483.18373100400004,6,2,5.545200000000005,True
1177,CHEMBL243837,12.2,nM,CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(Cl)c4)=CC3=O)c2cc1NC(=O)/C=C/CN(C)C,7.913640169325252,561.1778966759999,9,2,4.286500000000003,True
1178,CHEMBL553351,12.3,nM,Cl.O=[N+]([O-])c1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1,7.910094888560602,435.93963634000005,6,1,5.680600000000002,True
1179,CHEMBL4061829,12.5,nM,OCCc1nc(-c2ccc(F)cc2)c(-c2ccnc3[nH]c(-c4ccccc4)cc23)[nH]1,7.903089986991944,398.15428944800004,3,3,4.960900000000004,True
1182,CHEMBL555921,12.6,nM,COc1cccc2c1sc1c(Nc3cccc(Br)c3)ncnc12.Cl,7.899629454882437,420.9651228160001,5,1,5.781000000000003,True
1183,CHEMBL605976,12.8,nM,COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OCCCCCCC(=O)NO,7.892790030352131,438.22670543999993,7,3,4.646200000000003,True
1184,CHEMBL2437471,13.0,nM,C=CC(=O)Nc1cccc(-n2c(=O)c(C)nc3cnc(Nc4ccc(OC)cc4)nc32)c1,7.886056647693163,428.1596885,8,2,3.3608200000000013,True
1185,CHEMBL3759815,13.0,nM,C[C@@H](Nc1ncnc2sc(-c3ccc(CO)cc3F)cc12)c1ccccc1,7.886056647693163,379.11546141599996,5,2,5.162800000000004,True
1186,CHEMBL4094086,13.0,nM,C=CC(=O)Nc1cc(Nc2nc(OC)cc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,7.886056647693163,529.2801379800001,9,2,4.518400000000003,True
1187,CHEMBL3676361,13.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OCCNC(C)=O,7.886056647693163,521.0265574360001,6,3,4.567800000000003,True
1188,CHEMBL3759963,13.0,nM,COc1cccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c1OC,7.886056647693163,391.1354479120001,6,1,5.548600000000004,True
1189,CHEMBL470218,13.0,nM,CN(C)CCc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1,7.886056647693163,442.11427154,7,2,5.470100000000003,True
1190,CHEMBL3786098,13.0,nM,C=CC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)[C@@H](OC)C1,7.886056647693163,431.147265244,8,2,2.126599999999999,True
1191,CHEMBL402339,13.0,nM,COc1cc(Nc2ncnc3[nH]nc(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1,7.886056647693163,508.22343162799996,9,3,3.6587000000000023,True
1192,CHEMBL404405,13.0,nM,OC1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1,7.886056647693163,495.178565372,9,3,3.559400000000002,True
1195,CHEMBL257816,13.0,nM,CO/N=C/c1c(N)ncnc1Nc1ccc2c(ccn2Cc2cccc(F)c2)c1,7.886056647693163,390.16043744800004,7,2,3.924800000000002,True
1196,CHEMBL1683970,13.0,nM,Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCN1CCOCC1,7.886056647693163,480.172831972,6,1,4.973920000000005,True
1197,CHEMBL3967219,13.0,nM,C[C@@H](Nc1ncnc2oc(-c3ccc(F)cc3)cc12)c1ccccc1,7.886056647693163,333.127740352,4,1,5.2020000000000035,True
1199,CHEMBL3676354,13.0,nM,C=CC(=O)Nc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OCCNCC(C)=O,7.886056647693163,535.0422075,7,3,4.610300000000003,True
1200,CHEMBL66570,13.0,nM,CCN1CCN(C(=O)c2cc(C)c(/C=C3\C(=O)Nc4ncnc(Nc5ccc(F)c(Cl)c5)c43)[nH]2)CC1,7.886056647693163,509.1742289400001,6,3,3.919620000000001,True
1201,CHEMBL571040,13.0,nM,C=CC(=O)N1CCC[C@H]1C(=O)Nc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCCOC,7.886056647693163,513.1579101799999,7,2,4.306600000000002,True
1202,CHEMBL399953,13.0,nM,COc1cc2ncnc(C#CC(C)(C)Cc3ccccc3)c2cc1OC,7.886056647693163,346.16812794399993,4,0,4.267400000000004,True
1203,CHEMBL3786962,13.0,nM,C=CC(=O)Nc1cccc(Oc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)c1,7.886056647693163,375.1443727840001,7,3,3.351800000000001,True
1204,CHEMBL3671566,13.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(=O)N1CCN(C)CC1,7.886056647693163,571.1342780440001,7,3,3.7353000000000023,True
1205,CHEMBL51707,13.0,nM,Fc1cc2ncnc(Nc3cccc(Br)c3)c2cn1,7.886056647693163,317.991636576,4,1,3.6700000000000017,True
1206,CHEMBL3806110,13.1,nM,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2c1OCCO2,7.882728704344236,405.089161924,7,1,3.9623000000000026,True
1207,CHEMBL4288080,13.4,nM,C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(OCCN3CCOCC3)cc2)ncc1Cl,7.872895201635192,494.18331640400004,8,3,4.452700000000004,True
1209,CHEMBL2425735,13.5,nM,O=C(CCCN1CCCCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,7.8696662315049934,467.132072552,5,2,5.340500000000004,True
1210,CHEMBL2334003,13.6,nM,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNCCN,7.866461091629782,419.15243087600004,7,3,3.4917000000000007,True
1211,CHEMBL4097141,13.6,nM,C=CC(=O)Nc1cc(Nc2nccc(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N1CC(N(C)C)C1,7.866461091629782,523.2695732960001,8,2,4.671400000000003,True
1212,CHEMBL3671517,14.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(=O)COC,7.853871964321762,517.076094472,7,3,3.5409000000000024,True
1213,CHEMBL3671573,14.0,nM,C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC(=O)CCN1CCCCC1,7.853871964321762,584.1546791400001,7,3,4.770500000000005,True