BrCa Raw Results (selection of active compounds)

Table containing selected collection of putative BrCa activity

molregno	Avg(chemblActivityScoreC)	Count(chemblActivityScoreC)	Avg(CytotoxCombinedPrediction)	Avg(predictionBrCaRFModelregression)	UniqueConcatenate(proteinNameC)	UniqueCount(proteinNameC)	Count(proteinNameC)	therapeuticIndex	canonical_smiles.x
924	3.632408764	458	4.513259152	6.175169643	ATP binding cassette transporter Abc1p, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Cytochrome P450 3A5, DNA polymerase kappa, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, FK506-binding protein 1A, FK506-binding protein 1B, Ferritin light chain, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 1 group I member 2, Peptidyl-prolyl cis-trans isomerase FKBP5, Peripheral myelin protein 22, Phosphodiesterase 5A, Platelet activating factor receptor, Pregnane X receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serine/threonine-protein kinase mTOR, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Splicing factor 3B subunit 3, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, UDP-glucuronosyltransferase 2B7, Ubiquitin carboxyl-terminal hydrolase 1, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	122	458	1.66191049	CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)\[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC
4775	5.413232342	1429	5.031382053	7.967625	ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldehyde dehydrogenase 1A1, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Alpha-galactosidase A, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Anthrax lethal factor, Arachidonate 15-lipoxygenase, Ataxin-2, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Chromobox protein homolog 1, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, DNA polymerase iota, DNA topoisomerase II, DNA-(apurinic or apyrimidinic site) lyase, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Human papillomavirus regulatory protein E2, Hypoxia-inducible factor 1 alpha, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Isocitrate dehydrogenase [NADP] cytoplasmic, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Niemann-Pick C1 protein, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor subfamily 0 group B member 1, Paired box protein Pax-8, Peripheral myelin protein 22, Peroxisome proliferator-activated receptor delta, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Proto-oncogene c-JUN, Ras-related protein Rab-9A, Receptor protein-tyrosine kinase erbB-2, Regulatory protein E2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Survival motor neuron protein, Thromboxane-A synthase, Tubulin, Tubulin alpha chain, Tubulin beta chain, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Ubiquitin carboxyl-terminal hydrolase 1, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	136	1429	2.936242947	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24
5105	6.037659407	2634	3.625585747	7.066209974	15-hydroxyprostaglandin dehydrogenase [NAD+], ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldehyde dehydrogenase 1A1, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Alpha-galactosidase A, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Anthrax lethal factor, Arachidonate 15-lipoxygenase, Ataxin-2, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Beta-glucocerebrosidase, Bloom syndrome protein, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cellular tumor antigen p53, Cholecystokinin A receptor, Cholinesterase, Chromobox protein homolog 1, Cruzipain, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, DNA ligase, DNA polymerase iota, DNA topoisomerase, DNA topoisomerase 1, DNA topoisomerase I, DNA topoisomerase II alpha, DNA topoisomerase II beta, DNA topoisomerase type IB small subunit, Delta opioid receptor, Deoxyribonuclease-1, Deoxyribonuclease-2-alpha, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Eukaryotic translation initiation factor 2-alpha kinase 3, Ferritin light chain, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Hemoglobin beta chain, Heterogeneous nuclear ribonucleoprotein A1, Histamine H1 receptor, Histamine H2 receptor, Histone acetyltransferase GCN5, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Human immunodeficiency virus type 1 integrase, Huntingtin, Hypoxia-inducible factor 1 alpha, Induced myeloid leukemia cell differentiation protein Mcl-1, Inositol monophosphatase 1, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, Lysine-specific demethylase 4D-like, Lysosomal alpha-glucosidase, M-phase phosphoprotein 8, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Muscleblind-like protein 1, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Os06g0676700 protein, Peripheral myelin protein 22, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Ras-related protein Rab-9A, Receptor protein-tyrosine kinase erbB-2, Regulator of G-protein signaling 4, Relaxin receptor 1, Ribonuclease pancreatic, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase mTOR, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Serotransferrin, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Somatostatin receptor, Survival motor neuron protein, Telomerase reverse transcriptase, Thioredoxin reductase 1- cytoplasmic, Thrombopoietin, Thromboxane-A synthase, Thyroid stimulating hormone receptor, Topoisomerase I, Type-2 restriction enzyme BamHI, Type-2 restriction enzyme EcoRI, Type-2 restriction enzyme HindIII, Type-2 restriction enzyme PstI, Type-2 restriction enzyme ScaI, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	170	2634	3.440624227	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
5295	6.409762794	3334	4.779507906	6.09305442	Beta tubulin, DNA topoisomerase 1, Epidermal growth factor receptor erbB1, Fibroblast growth factor receptor 1, Mitogen-activated protein kinase; ERK1/ERK2, NotRecorded, P-glycoprotein 1, Phosphodiesterase 4, Tubulin, Tubulin alpha chain, Tubulin beta chain, Tubulin beta-1 chain, Tubulin beta-3 chain, Tyrosine-protein kinase ABL, Tyrosine-protein kinase SRC	15	3334	1.313546514	COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
6963	4.905288052	9	3.605883071	6.7230625	Tubulin	1	9	3.117179429	CCOc1cc2OCOc2cc1CCc3ccc(OC)cc3
7028	4.8992874	9	3.078916902	6.266415972	Tubulin	1	9	3.18749907	COc1ccc(Cc2cc3OCOc3cc2OC)cc1
7069	5.198180694	9	5.765653071	6.159242262	Tubulin	1	9	0.393589191	CCOc1cc2OCOc2cc1C\C=C\c3ccc(OC)cc3
7071	5.781703102	61	7.510156349	6.219355002	NotRecorded, Tubulin, Tubulin beta chain	3	61	-1.290801347	COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
7103	4.937316548	9	3.592329512	6.2146	Tubulin	1	9	2.622270488	COc1ccc(CCCc2cc3OCOc3cc2OC)cc1
7104	4.628527442	9	5.186939925	6.422314583	Tubulin	1	9	1.235374658	COc1ccc(CCc2cc3OCOc3cc2OC)cc1
7176	5.370765404	9	4.54038075	6.375105754	Tubulin	1	9	1.834725004	CCOc1cc2OCOc2cc1Cc3ccc(OC)cc3
7183	4.956381951	9	5.5269993	6.015975	Tubulin	1	9	0.4889757	CCOc1cc2OCOc2cc1CCCc3ccc(OC)cc3
7203	4.915634026	9	3.605883071	6.58925	Tubulin	1	9	2.983366929	COc1ccc(\C=C\Cc2cc3OCOc3cc2OC)cc1
8062	6.130809518	4163	5.198343245	7.212	4′-phosphopantetheinyl transferase ffp, ATP-dependent DNA helicase Q1, ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Alpha-synuclein, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Anthrax lethal factor, Apoptosis regulator Bcl-2, Apoptosis regulator Bcl-X, Arachidonate 15-lipoxygenase, Ataxin-2, Beta tubulin, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Beta-lactamase AmpC, Bile salt export pump, Bloom syndrome protein, Botulinum neurotoxin type A, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cellular tumor antigen p53, Cholecystokinin A receptor, Chromobox protein homolog 1, Cruzipain, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Fibroblast growth factor receptor 1, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Hepatitis C virus NS3 protease/helicase, Histamine H1 receptor, Histamine H2 receptor, Hypoxia-inducible factor 1 alpha, Insulin receptor, Integrin alpha-V/beta-3, Interleukin-8 receptor A, Interleukin-8 receptor B, Isocitrate dehydrogenase [NADP] cytoplasmic, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, Luciferin 4-monooxygenase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, Monoamine oxidase A, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Multidrug resistance-associated protein 1, Multidrug resistance-associated protein 7, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide S receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Niemann-Pick C1 protein, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Nonstructural protein 1, Norepinephrine transporter, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 1 group I member 2, P-glycoprotein 1, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Peripheral myelin protein 22, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Ras-related protein Rab-9A, Receptor protein-tyrosine kinase erbB-2, Regulator of G-protein signaling 4, Retinoid X receptor alpha, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serine/threonine-protein kinase mTOR, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier family 22 member 1, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 2B1, Survival motor neuron protein, Thioredoxin reductase 1- cytoplasmic, Thrombopoietin, Thromboxane-A synthase, Thyroid hormone receptor beta-1, Tubulin, Tubulin alpha chain, Tubulin beta chain, Tubulin beta-3 chain, Tyrosine-protein kinase ABL, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Tyrosine-protein kinase SRC, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor, Vitamin D receptor	167	4163	2.013656755	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
12272	8	5	4.874973937	6.99478125	NotRecorded	1	5	2.119807313	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)[C@@](C)(O)C#Cc3ccccc3)cc1
12284	8	5	3.582174073	7.125875	NotRecorded	1	5	3.543700927	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(OS(=O)(=O)C)C#Cc3ccccc3)cc1
12449	8	5	4.874973937	6.99478125	NotRecorded	1	5	2.119807313	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)[C@](C)(O)C#Cc3ccccc3)cc1
12496	8	5	6.444994821	7.959294643	NotRecorded	1	5	1.514299822	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(O)\C=C\c3ccccc3)cc1
12497	8	5	6.546762465	7.378473214	NotRecorded	1	5	0.831710749	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)[C@@](C)(O)\C=C/c3ccccc3)cc1
12498	8	5	6.546762465	7.378473214	NotRecorded	1	5	0.831710749	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)[C@](C)(O)\C=C/c3ccccc3)cc1
12513	8	5	6.192407923	6.898138393	NotRecorded	1	5	0.705730469	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)C(O)\C=C\c3ccccc3)cc1
12554	8	5	6.25887986	6.410875	NotRecorded	1	5	0.15199514	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(=O)\C=C/c3ccccc3)cc1
12555	8	5	6.25887986	6.410875	NotRecorded	1	5	0.15199514	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(=O)\C=C\c3ccccc3)cc1
12563	8	5	6.880300577	8.833486607	NotRecorded	1	5	1.95318603	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(=O)CCc3ccccc3)cc1
12582	8	5	6.587554921	7.373040179	NotRecorded	1	5	0.785485258	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(O)CCc3ccccc3)cc1
12609	8	5	5.422213193	6.99478125	NotRecorded	1	5	1.572568057	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(O)C#Cc3ccccc3)cc1
14440	5.403489419	3239	5.741598851	6.488481098	6-phospho-1-fructokinase, ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Anthrax lethal factor, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Beta-glucocerebrosidase, Beta-lactamase AmpC, Bile acid receptor FXR, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, CREB-binding protein, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cellular tumor antigen p53, Cholecystokinin A receptor, Cholinesterase, Chromobox protein homolog 1, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, DNA topoisomerase II, DNA-(apurinic or apyrimidinic site) lyase, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endonuclease 4, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Ferritin light chain, Flap endonuclease 1, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Insulin receptor, Interleukin-8, Interleukin-8 receptor A, Interleukin-8 receptor B, Isocitrate dehydrogenase [NADP] cytoplasmic, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Monoamine oxidase B, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Muscleblind-like protein 1, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide S receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 0 group B member 1, Nuclear receptor subfamily 1 group I member 2, P-glycoprotein 1, P-glycoprotein 3, Paired box protein Pax-8, Peripheral myelin protein 22, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Proto-oncogene c-JUN, Ras-related protein Rab-9A, Receptor protein-tyrosine kinase erbB-2, Retinoid X receptor alpha, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier family 22 member 1, Solute carrier family 22 member 3, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 2B1, Thioredoxin reductase 1- cytoplasmic, Thrombopoietin, Thromboxane-A synthase, Thyroid hormone receptor beta-1, Thyroid stimulating hormone receptor, Tubulin, Tubulin alpha chain, Tubulin alpha-1 chain, Tubulin beta chain, Tubulin polymerization-promoting protein, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Ubiquitin carboxyl-terminal hydrolase 1, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor, Vitamin D receptor	161	3239	0.746882248	COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C
17225	5.813969158	9	6.067393352	5.271785913	NotRecorded, Tubulin	2	9	-0.795607439	Fc1ccc(cc1)C2CC(=O)c3cc4OCOc4cc3N2
19632	4.971903157	4	5.735491959	8.252517857	NotRecorded	1	4	2.517025898	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@@H](O)Cc6ccccc6)C(=C1C5(C)C)C
19666	4.395259042	4	5.469561323	8.009279762	NotRecorded	1	4	2.539718439	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)CNC(=O)c6ccccc6)C(=C1C5(C)C)C
19667	4.949972538	4	5.661982667	8.252517857	NotRecorded	1	4	2.59053519	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)Cc6ccccc6)C(=C1C5(C)C)C
22404	6.355051991	246	5.857915097	6.828009183	NotRecorded, Tubulin, Tubulin alpha chain, Tubulin beta chain	4	246	0.970094085	COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
22627	5.911754156	49	7.307310434	6.131731232	NotRecorded, Tubulin, Tubulin alpha chain, Tubulin beta chain, Tubulin beta-1 chain	5	49	-1.175579203	COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1O)SC
22662	5.670080102	37	5.380753013	6.78531069	NotRecorded, Tubulin, Tubulin alpha chain, Tubulin beta chain	4	37	1.404557677	COc1c(O)cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c1OC)SC
23002	5.787285501	32	4.484178646	6.837118025	NotRecorded, Tubulin	2	32	2.352939379	COc1cc2CC[C@H](NC=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
30698	5.80620791	15	5.329978338	7.967625	NotRecorded	1	15	2.637646662	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O)c4cc5OCOc5cc24
30847	5.432999799	22	5.508764704	7.967625	Acetylcholinesterase, Anthrax lethal factor, Chromobox protein homolog 1, DNA polymerase iota, NotRecorded, Nuclear factor erythroid 2-related factor 2	6	22	2.458860296	COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24
36452	5.584726303	6	5.898091151	6.970725694	Geminin, NotRecorded, Peripheral myelin protein 22	3	6	1.072634543	CCC1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)CC(C2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\[C@]3(C)OC3C1C
39291	8.732	5	6.752664505	8.112352679	NotRecorded	1	5	1.359688173	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C([C@@H](O)C3=O)C5(C)C)C
39305	8.93	5	9.051527896	6.389540179	NotRecorded	1	5	-2.661987718	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
39544	5.760291355	19	4.642503067	6.835338816	NotRecorded, Tubulin, Tubulin beta chain	3	19	2.192835749	CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13
39723	6.69019608	15	5.250449665	6.706241071	Tubulin	1	15	1.455791406	CCCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13
39792	5.268845312	15	3.469013639	7.033620536	Tubulin	1	15	3.564606897	COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C(C)(C)C
40029	8.964	5	8.026046153	6.1669375	NotRecorded	1	5	-1.859108653	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C([C@@H](OC(=O)N6CCOCC6)C3=O)C5(C)C)C
40030	9.14	5	9.094263889	5.909	NotRecorded	1	5	-3.185263889	COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
40518	9.04	5	8.510750945	5.996357143	NotRecorded	1	5	-2.514393802	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C([C@@H](OC(=O)C6CC6)C3=O)C5(C)C)C
40519	9.122	5	8.446325326	6.389540179	NotRecorded	1	5	-2.056785147	CN(C)C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
41248	5.365276408	19	6.73754426	6.875085526	DNA topoisomerase II, DNA topoisomerase II alpha, Human immunodeficiency virus type 1 integrase, NotRecorded	4	19	0.137541266	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24
41829	4.766433243	6	3.443353044	6.341620536	NotRecorded	1	6	2.898267492	COC(=O)[C@H]1[C@@H]2COC(=O)O[C@H]2c3cc4OCOc4cc3C1c5cc(OC)c(OC)c(OC)c5
41870	7.616039627	20	5.117005187	6.45328125	NotRecorded	1	20	1.336276063	COC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c4cc(OC)c(OC)c(OC)c4
42486	5.854557475	18	5.668742374	6.228403026	NotRecorded	1	18	0.559660652	CCOC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c4cc(OC)c(O)c(OC)c4
43837	6.29	5	6.069897708	6.8463	NotRecorded	1	5	0.776402292	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)[C@@H](OC(=O)[C@@H](O)C(NC(=O)c6ccccc6)c7ccccc7)[C@H](O)C(=C([C@@H](O)C3=O)C5(C)C)C
43838	8.128	5	7.42906571	5.981888393	NotRecorded	1	5	-1.447177317	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)C2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C([C@@H](O)C3=O)C6(C)C)C
43881	7.208	5	7.5214695	7.48271875	NotRecorded	1	5	-0.03875075	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)C2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](O)C3=O)C6(C)C)C
44861	7.794837057	5	7.918849909	6.229763393	NotRecorded	1	5	-1.689086516	CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCc6ccccc6)c7ccccc7)C(=C1C5(C)C)C
45017	8.196393505	4	7.713328859	6.389540179	NotRecorded	1	4	-1.32378868	CC(C)OC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)[C@@H](O)[C@H](OC(=O)C)C(=C1C)C2(C)C)c6ccccc6
45019	8.848203631	4	7.83216277	5.909	NotRecorded	1	4	-1.92316277	CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
45051	7.432617485	4	7.671036597	6.1669375	NotRecorded	1	4	-1.504099097	CCOC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)[C@@H](O)[C@H](OC(=O)C)C(=C1C)C2(C)C)c6ccccc6
45278	6.288745729	5	6.550030576	8.112352679	NotRecorded	1	5	1.562322103	CC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)[C@@H](O)[C@H](OC(=O)C)C(=C1C)C2(C)C)c6ccccc6
45279	8.040851623	5	7.46861976	7.172633929	NotRecorded	1	5	-0.295985831	CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
45744	7.498319811	4	6.080230313	7.55221875	NotRecorded	1	4	1.471988437	CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6occc6)c7ccccc7)C(=C1C5(C)C)C
45746	7.8048251	5	7.216380665	6.499053571	NotRecorded	1	5	-0.717327093	CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccc(C)cc6)c7ccccc7)C(=C1C5(C)C)C
45813	6.892379234	4	7.376504353	7.563571429	NotRecorded	1	4	0.187067075	CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
46135	6.561995239	4	4.181930754	6.21659375	NotRecorded	1	4	2.034662996	CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccc(O)cc6)c7ccccc7)C(=C1C5(C)C)C
56525	6.5	4	7.309467057	5.996357143	NotRecorded	1	4	-1.313109914	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](NC(=O)OCc4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
56527	6.5	4	4.755625	5.996357143	NotRecorded	1	4	1.240732143	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](NC(=O)c4ccc(Cl)cc4)[C@]5(O)C[C@H](OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
56838	6.5	4	7.381133724	6.193294643	NotRecorded	1	4	-1.187839081	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](NC(=O)c4ccc(cc4)[N+](=O)[O-])[C@]5(O)C[C@H](OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
61142	6.683858859	11	6.203215278	5.811159091	Acetylcholinesterase, DNA topoisomerase I, NotRecorded	3	11	-0.392056187	CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc6OCCNc6c15)[C@@](O)(CC)C(=O)OC4
61315	6.581976643	199	7.445313119	8.085601759	ATP-binding cassette sub-family G member 2, Acetylcholinesterase, Cytochrome P450 3A4, DNA topoisomerase I, Histone deacetylase, NotRecorded, Solute carrier organic anion transporter family member 1B1, UDP-glucuronosyltransferase 1-1, UDP-glucuronosyltransferase 1-6, UDP-glucuronosyltransferase 1-7, UDP-glucuronosyltransferase 1-9, UDP-glucuronosyltransferase 1A4, UDP-glucuronosyltransferase 2B15	13	199	0.640288639	CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)[C@@](O)(CC)C(=O)OC4
65667	9.401666667	6	5.449165033	8.091717262	NotRecorded	1	6	2.642552229	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C6CC6)C(=C([C@@H](O)C3=O)C5(C)C)C
71516	6.162274173	1787	4.874904812	6.148457942	Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta tubulin, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bile salt export pump, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Canalicular multispecific organic anion transporter 1, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, DNA polymerase iota, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Menin/Histone-lysine N-methyltransferase MLL, Monoamine oxidase A, Monoamine oxidase B, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Multidrug resistance-associated protein 1, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear receptor ROR-gamma, P-glycoprotein 1, P-glycoprotein 3, Peripheral myelin protein 22, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Putative uncharacterized protein, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier family 22 member 1, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Thioredoxin reductase 1- cytoplasmic, Thromboxane-A synthase, Tubulin, Tubulin alpha chain, Tubulin beta chain, Tubulin beta-5 chain, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Ubiquitin carboxyl-terminal hydrolase 1, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor, Vitamin D receptor	130	1787	1.27355313	CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
73043	5.199874197	20	3.77356056	5.771004189	NotRecorded, Tubulin, Tubulin alpha chain	3	20	1.997443629	O=C1NC(=Nc2ccccc12)\C=C\c3ccccc3
73598	6.876	5	4.601666667	4.880275	NotRecorded, Tubulin alpha chain	2	5	0.278608333	COc1ccc2c(C=CCc3cc(OC)c(OC)c(OC)c23)c1
74134	5.499323391	13	4.791671462	5.21295091	NotRecorded, Tubulin, Tubulin alpha chain	3	13	0.421279448	Cc1ccc2c(O)cc(nc2n1)c3ccc(Br)s3
75128	5.986602517	18	2.683582263	7.065539583	NotRecorded, Tubulin, Tubulin alpha chain	3	18	4.38195732	COc1cc2CC[C@H](OC(=O)c3cccnc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC
81416	6.168796195	4	6.820162799	6.6781875	NotRecorded, Tubulin	2	4	-0.141975299	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccc(Cl)cc6)c7ccccc7)C(=C1C5(C)C)C
86102	5.604328575	216	4.732918819	7.551486541	Acetylcholinesterase, Cholinesterase, Heat shock factor protein 1, Heat shock protein HSP 90, Heat shock protein HSP 90-beta, Heat shock protein HSP90, Hsp90 co-chaperone Cdc37, NotRecorded, Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Protein-tyrosine phosphatase 2C, Protein-tyrosine phosphatase LC-PTP, Solute carrier organic anion transporter family member 1B3, Telomerase reverse transcriptase	14	216	2.818567722	CC1=C(O)C(=O)C=C2C1=CC=C3[C@@]2(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O
92030	4.397940009	15	2	6.809625	Tubulin	1	15	4.809625	CSC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O)c(O)c(O)c23)NC(=O)C45CCC(C)(C(=O)O4)C5(C)C
95046	5.702717651	19	5.711830279	5.697494361	NotRecorded, Tubulin	2	19	-0.014335918	COc1ccc(cc1O)[C@@H]2OCO[C@H]2c3cc(OC)c(OC)c(OC)c3
100937	5.686570558	7	5.1512431	6.193242985	NotRecorded	1	7	1.041999885	COCC(NC1CC(O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC(C)C1O)C#N
103903	6.656818846	214	5.378910525	8.319139603	Cytochrome P450 3A4, NotRecorded, Ornithine decarboxylase, Tubulin	4	214	2.940229078	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)Cc4cc5OCOc5cc24
105565	5.571428571	7	5.061135102	6.57616301	NotRecorded	1	7	1.515027909	COc1cc(cc(OC)c1OC)[C@H]2[C@H]3C(CCO)OC[C@@H]3[C@@H](O)c4cc5OCOc5cc24
112161	5.882755718	5	5.302556572	5.9754375	NotRecorded, P-glycoprotein 1	2	5	0.672880928	CCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
112463	6.012749039	33	4.447841033	7.273450893	Ataxin-2, DNA polymerase iota, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear receptor ROR-gamma, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	9	33	2.82560986	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
112618	6.32892782	6	6.273805411	7.37453125	NotRecorded, Tubulin	2	6	1.100725839	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccc(Cl)cc7)C(=C1C5(C)C)C
112738	6.407070447	6	5.88692841	6.88235119	NotRecorded	1	6	0.99542278	C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
114210	5.22	4	6.439839908	7.381638393	NotRecorded	1	4	0.941798485	CCCC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCOc4ccc5nc6C7=CC8=C(COC(=O)C8(O)CC)C(=O)N7Cc6cc5c4)n(COC)c3)n(COC)c2)n1COC
114391	6.9825	8	6.529334651	7.125373621	DNA topoisomerase I, NotRecorded	2	8	0.596038969	CCC1(O)CC(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
115089	5.524	5	6.42939081	7.381638393	DNA topoisomerase I, NotRecorded	2	5	0.952247583	CCOC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NOC(=O)COc4ccc5nc6C7=CC8=C(COC(=O)C8(O)CC)C(=O)N7Cc6cc5c4)cn3COC)cn2COC)cn1COC
115090	5.628	5	5.439484526	7.680071429	DNA topoisomerase I, NotRecorded	2	5	2.240586902	CCOC(=O)c1cc(NC(=O)c2cc(NOC(=O)COc3ccc4nc5C6=CC7=C(COC(=O)C7(O)CC)C(=O)N6Cc5cc4c3)cn2COC)cn1COC
120938	5.466448499	13	5.409997507	5.044419254	NotRecorded, Tubulin, Tubulin beta chain	3	13	-0.365578254	CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3C=Cc2cc1O
128562	5.489959062	6	5.165326739	5.795317857	NotRecorded, Tubulin	2	6	0.629991119	CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCCc2cc1O
129626	5.258516385	69	4.058604154	6.6748125	Androgen Receptor, NotRecorded	2	69	2.616208346	CCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(=O)C)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C
130514	5.63	5	5.767717207	6.832989583	NotRecorded	1	5	1.065272376	COC(=O)[C@@H]1[C@@H](Cc2cc3OCOc3cc2[C@H]1c4cc(OC)c(OC)c(OC)c4)C=O
130582	6.505	4	6.207947183	6.675915179	NotRecorded	1	4	0.467967996	COC(=O)[C@@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c4cc(OC)c(OC)c(OC)c4
131137	7.1425	4	4.742629436	6.341641741	NotRecorded	1	4	1.599012306	COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(NC(=O)OCc5ccc(cc5OCC(O)CO)[N+](=O)[O-])c6ccccc46
131216	4.625705592	7	4.238053161	5.908339286	NotRecorded	1	7	1.670286125	COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)C(=O)c4cc5OCOc5cc24
135825	7.134444444	9	4.627804574	6.290123264	NotRecorded	1	9	1.66231869	COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc(NCCN(C)C)c(C(=O)c2c1)c34
137854	5.810394982	21	5.7185772	6.2442804	NotRecorded, Tubulin	2	21	0.5257032	COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C(F)(F)F
139409	6.282675308	11	7.342758144	6.025438068	NotRecorded, Tubulin	2	11	-1.317320076	COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(Cl)c1
139775	5.737795978	11	6.743436326	5.350117857	NotRecorded, Tubulin	2	11	-1.393318469	COc1cc(CCc2ccc(cc2)N(C)C)cc(OC)c1OC
140832	6.575678671	8	7.91777468	5.846947656	NotRecorded, Tubulin	2	8	-2.070827024	COc1cc(\C=C\c2ccc(cc2)N(C)C)cc(OC)c1OC
142037	5.688629171	15	2	6.252339286	Tubulin	1	15	4.252339286	COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)N(C)C(=O)C(F)(F)F
142253	5.549671922	15	3.292225159	5.81371875	Tubulin	1	15	2.521493591	COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC(=O)C)SC
142808	4.92850506	1043	4.812625672	6.0115	Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta tubulin, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Canalicular multispecific organic anion transporter 1, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Huntingtin, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Monoamine oxidase B, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Multidrug resistance associated protein, Multidrug resistance-associated protein 1, Multidrug resistance-associated protein 7, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Ornithine decarboxylase, P-glycoprotein 1, Peripheral myelin protein 22, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Proto-oncogene c-JUN, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 2B1, Thioredoxin reductase 1- cytoplasmic, Thromboxane-A synthase, Tubulin, Tubulin alpha chain, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	126	1043	1.198874328	CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
143047	8.688	5	7.429259315	7.273450893	NotRecorded	1	5	-0.155808422	CC(=C[C@H](NC(=O)c1ccccc1)[C@@H](O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)C5[C@@]6(CO[C@@H]6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C)C(=C2C)C3(C)C)OC(=O)C)C
143048	8.352	5	8.218814215	5.996357143	NotRecorded	1	5	-2.222457072	CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C
143050	8.916	5	6.799562609	6.389540179	NotRecorded	1	5	-0.410022431	C\C=C\[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C
152441	8.238	5	7.887793222	8.54296875	NotRecorded	1	5	0.655175528	CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C1C)C3(C)C)OC(=O)C
152442	7.208	5	7.584581701	7.37453125	NotRecorded	1	5	-0.210050451	CC(=O)O[C@@]12COC1C[C@H](O)[C@]3(C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](O)C3=O)C6(C)C)C
152443	8.034	5	5.961742851	6.50378125	NotRecorded	1	5	0.542038399	CCCCCC(=O)N[C@@H](C=C(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)N(C)C)C(=C1C)C3(C)C)OC(=O)C
152461	7.630150588	4	4.887404593	6.518444196	NotRecorded	1	4	1.631039604	C[C@H]1CCC\C(=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)c2ccc3sc(C)nc3c2)\C
152709	8.818	5	5.922684954	5.981888393	NotRecorded	1	5	0.059203439	CC(=O)O[C@@]12COC1C[C@H](O)[C@]3(C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7occc7)C(=C([C@@H](O)C3=O)C6(C)C)C
152710	8.23	5	4.669495906	8.508325893	NotRecorded	1	5	3.838829987	C\C=C/[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C1C)C3(C)C)OC(=O)C
152711	6.716	5	6.576625644	6.092	NotRecorded	1	5	-0.484625644	CCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C1C)C3(C)C)OC(=O)C)c7ccccc7
152886	8.91	5	7.430972095	6.50378125	NotRecorded	1	5	-0.927190845	CC(=C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C7CC7)C(=C1C)C3(C)C)OC(=O)C)C
152887	8.992	5	7.422916204	6.50378125	NotRecorded	1	5	-0.919134954	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)CC3OC[C@@]3(OC(=O)C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C)C(=C1C6(C)C)C
152995	8.120841952	786	7.266482595	9.997229326	Geminin, NotRecorded, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 1 group I member 2, Peripheral myelin protein 22, Pregnane X receptor, Tubulin beta-2 chain	7	786	2.73074673	C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
153002	8.442	5	6.995255117	6.0309375	NotRecorded	1	5	-0.964317617	CC(=C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C)C(=C1C)C3(C)C)OC(=O)C)C
153045	8.634	5	7.334688643	6.50378125	NotRecorded	1	5	-0.830907393	CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C7CC7)C(=C1C)C3(C)C)OC(=O)C
153083	9.14095703	9	5.600052949	7.684722222	NotRecorded, Tubulin beta-2 chain	2	9	2.084669273	C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccccn3)\C
153175	6.972	5	6.705712202	7.473308036	NotRecorded	1	5	0.767595833	CC(=O)O[C@@]12COC1C[C@H](O)[C@]3(C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)C(=C([C@@H](O)C3=O)C6(C)C)C
153176	8.842	5	8.19804995	8.508325893	NotRecorded	1	5	0.310275943	CC(=C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C1C)C3(C)C)OC(=O)C)C
153444	8.084	5	5.036989935	8.508325893	NotRecorded	1	5	3.471335957	CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C1C)C3(C)C)OC(=O)C
153505	8.128	5	6.706682569	7.473308036	NotRecorded	1	5	0.766625466	CC(=O)O[C@@]12COC1C[C@H](O)[C@]3(C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C([C@@H](O)C3=O)C6(C)C)C
153506	8.066	5	7.067066332	6.0309375	NotRecorded	1	5	-1.036128832	CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C)C(=C1C)C3(C)C)OC(=O)C
153625	8.922	5	4.494248335	6.50378125	NotRecorded	1	5	2.009532915	COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)CC3OC[C@@]3(OC(=O)C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C)C(=C1C6(C)C)C
153661	8.842	5	6.881520014	6.04678125	NotRecorded	1	5	-0.834738764	CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)N(C)C)C(=C1C)C3(C)C)OC(=O)C
157695	6.984	5	8.337118475	6.125325893	NotRecorded	1	5	-2.211792582	CC(C)CC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)C=C(C)C)C3C(C)(C(O)CC4OCC34OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C
157696	8.734	5	8.341842111	6.125325893	NotRecorded	1	5	-2.216516218	CC(=CC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)C=C(C)C)C3C(C)(C(O)CC4OCC34OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C)C
157699	8.276	5	8.400229457	5.996357143	NotRecorded	1	5	-2.403872314	CC(=CC(=O)OC1C2C(C)(C(O)CC3OCC23OC(=O)C)C(=O)C(OC(=O)C)C4=C(C)C(CC1(O)C4(C)C)OC(=O)C(O)C(NC(=O)OC(C)(C)C)c5ccccc5)C
157819	7.988	5	8.55525168	6.0974375	NotRecorded	1	5	-2.45781418	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(=O)C)C2C(OC(=O)C4CCCCC4)C5(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
157821	7.802	5	8.212323039	5.996357143	NotRecorded	1	5	-2.215965896	C\C=C\C(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)C3CCCCC3)C4C(C)(C(O)CC5OCC45OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C
158055	8.166	5	9.110597222	6.062794643	NotRecorded	1	5	-3.047802579	CC(C)CC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)C3CCCCC3)C4C(C)(C(O)CC5OCC45OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C
158056	8.674	5	8.788801064	5.996357143	NotRecorded	1	5	-2.792443921	CC(=CC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)C3CCCCC3)C4C(C)(C(O)CC5OCC45OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C)C
158057	7.522	5	8.20164261	6.518508929	NotRecorded	1	5	-1.683133681	CC(C)CC(=O)OC1C2C(C)(C(O)CC3OCC23OC(=O)C)C(=O)C(OC(=O)C)C4=C(C)C(CC1(O)C4(C)C)OC(=O)C(O)C(NC(=O)OC(C)(C)C)C=C(C)C
158126	7.042	5	8.193883689	5.996357143	NotRecorded	1	5	-2.197526546	CC(C)CC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)CC(C)C)C3C(C)(C(O)CC4OCC34OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C
158360	7.228	5	8.530853385	5.97	NotRecorded	1	5	-2.560853385	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(=O)C)C2C(OC(=O)C4CCCCC4)C5(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)C6CCCCC6)C(=C1C5(C)C)C
168512	4.876764535	4	3.76997619	6.855816406	DNA topoisomerase I, NotRecorded	2	4	3.085840216	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(N)ccc5nc34)C2=O
168997	6.056072538	5	4.38645106	6.254134821	NotRecorded	1	5	1.867683761	C[C@H]1CCC\C=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c2csc(C)n2)\C
172859	4.566877865	12	5.250666397	6.1141875	NotRecorded	1	12	0.863521103	COc1ccc2nc3cc(cc(NCCN(C)C)c3c(O)c2c1)C(=O)NCCCN(C)CCCNC(=O)c4ccc(NCCN(C)C)c5c(O)c6cc(OC)ccc6nc45
173447	4.640690234	14	4.659249333	6.626991071	NotRecorded	1	14	1.967741738	CN(C)CCNc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2cc(NCCN(C)C)c3c(O)c4ccccc4nc3c2)c5nc6ccccc6c(O)c15
176690	5.559871634	21	6.134947965	6.706584184	NotRecorded	1	21	0.571636219	COc1cc(cc(OC)c1OC)C2C3=C(O)OCC3=Nc4cc5OCOc5cc24
176962	6.341703502	10	6.903872756	6.070440625	NotRecorded	1	10	-0.833432131	COc1cc(cc(OC)c1OC)C2C3=C(O)OCC3=Nc4cc5OCCOc5cc24
182338	7.4175	4	4.935707337	6.143454241	NotRecorded	1	4	1.207746904	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\OCc5ccccc5)c6ccccc6nc34)C2=O
185370	4.411888245	10	6.020808264	6.531813839	NotRecorded, Tubulin	2	10	0.511005575	COC1=CC2=C(C=CC1=O)c3c(CCC2NC(=O)C(F)(F)F)cc(OC)c(OC)c3OC
185371	4.335377702	10	5.315	6.489285714	NotRecorded, Tubulin	2	10	1.174285714	COC1=CC2=C(C=CC1=O)c3c(CCC2NC(=O)C)cc(OC)c(OC)c3OC
185372	4.93755985	11	6.211746307	5.519213068	NotRecorded, Tubulin	2	11	-0.692533239	COc1cc2CCC(NC(=O)C(F)(F)F)C3=C(C=CC(=O)C(=C3)O)c2c(OC)c1OC
185379	5.368093398	17	4.652782902	5.653643382	NotRecorded, Tubulin	2	17	1.000860481	COc1cc2CCC(NC(=O)C)C3=C(C=CC(=N)C(=C3)O)c2c(OC)c1OC
185431	4.785188886	17	3.124154384	5.879632616	NotRecorded, Tubulin	2	17	2.755478232	COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(O)c(OC)c23)NC(=O)C
187372	6.533387356	1320	5.677025068	7.382486674	26S proteosome, ADAM17, Alpha-chymotrypsin, Androgen Receptor, Beta-chymotrypsin, Calpain 1, Caspase-2, Caspase-3, Caspase-7, Cathepsin B, Cathepsin G, Cathepsin H, Cathepsin L, Cathepsin S, Cathepsin Z, Chymase, Coagulation factor VII, Coagulation factor X, Coagulation factor XII, Dipeptidyl peptidase 1, Dipeptidyl peptidase IV, Endothelin-converting enzyme 1, Gamma-secretase, Heat shock protein beta-1, Leukocyte elastase, Lysosomal protective protein, Matrix metalloproteinase 8, Matrix metalloproteinase-1, Neprilysin, NotRecorded, Nuclear factor NF-kappa-B complex, Nuclear factor erythroid 2-related factor 2, Peroxisome proliferator-activated receptor delta, Plasma kallikrein, Plasminogen, Proteasome Macropain subunit, Proteasome Macropain subunit MB1, Proteasome component C5, Proteasome subunit beta type-8, Thrombin, Tissue-type plasminogen activator, Trypsin, Ubl carboxyl-terminal hydrolase 18	43	1320	1.705461607	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O
189773	9.24	4	8.372098331	6.11871875	NotRecorded	1	4	-2.253379581	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C
189912	8.73	4	8.924493857	6.389540179	NotRecorded	1	4	-2.534953678	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
190202	8.54	4	8.917950473	5.8385	NotRecorded	1	4	-3.079450473	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC=C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C
190566	8.8825	4	6.153551552	5.996357143	NotRecorded	1	4	-0.15719441	COc1cccc(c1)C(=O)O[C@H]2C3[C@@](C)([C@@H](O)C[C@H]4OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C
190760	8.5325	4	7.238764997	6.11871875	NotRecorded	1	4	-1.120046247	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CCC=C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C
194551	7.011960784	5	6.177634886	5.986609821	NotRecorded	1	5	-0.191025064	COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(NC(=O)C(C)Nc5c(cc(cc5[N+](=O)[O-])C(=O)NCCN(C)C)[N+](=O)[O-])c6ccccc46
195009	4.93	5	4.657918414	4.81313506	NotRecorded, Tubulin	2	5	0.155216645	CCCCC1Cc2cc(O)ccc2c3c(C=O)c4cc(O)c(O)cc4n13
202081	7.533910216	5	7.149044238	7.381638393	NotRecorded	1	5	0.232594155	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](C(=O)c4ccsc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202082	7.429910216	5	7.166197015	6.229763393	NotRecorded	1	5	-0.936433622	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](C(=O)c4cccs4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202110	6.826032214	5	7.383953207	7.381638393	NotRecorded	1	5	-0.002314814	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccc(O)cc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202223	7.961666667	6	7.136577578	7.35528125	NotRecorded	1	6	0.218703672	CCOc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202260	7.473360179	6	7.998165926	7.48271875	NotRecorded	1	6	-0.515447176	CC(C)Oc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202427	7.134032214	5	7.120654163	5.988071429	NotRecorded	1	5	-1.132582734	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202428	8.648	5	6.948207155	7.7978125	NotRecorded	1	5	0.849605345	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cc(Cl)cc(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202442	7.187910216	5	6.971989113	7.774821429	NotRecorded	1	5	0.802832316	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](C(=O)c4cocc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202443	6.985910216	5	6.733189113	7.916061012	NotRecorded	1	5	1.182871899	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](C(=O)c4occc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202541	8.715	4	5.284027334	7.466875	NotRecorded	1	4	2.182847666	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cc(F)cc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202558	7.83992518	6	7.332656748	6.6781875	NotRecorded	1	6	-0.654469248	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccc(F)c(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202699	7.681591846	6	7.730867081	7.22378125	NotRecorded	1	6	-0.507085831	COc1cc(OC)cc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202702	5.144094978	26	4.447870568	6.73921875	Androgen Receptor, NotRecorded	2	26	2.291348182	CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2
202712	7.908258513	6	7.499927424	7.29428125	NotRecorded	1	6	-0.205646174	COc1ccccc1C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202737	6.716081179	5	6.657996853	6.229763393	NotRecorded	1	5	-0.428233461	COc1cc(cc(OC)c1OC)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202752	8.972	5	7.784286463	6.69403125	NotRecorded	1	5	-1.090255213	COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202770	8.385	4	7.58298626	6.69403125	NotRecorded	1	4	-0.88895501	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)C#N)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202850	6.982540268	4	7.314161021	7.4004375	NotRecorded	1	4	0.086276479	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4F)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202851	6.957540268	4	7.091982392	6.6781875	NotRecorded	1	4	-0.413794892	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccc(Cl)cc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202935	8.696	5	7.687297669	6.6781875	NotRecorded	1	5	-1.009110169	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cc(F)ccc4F)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202982	8.745	4	7.295681718	7.37453125	NotRecorded	1	4	0.078849532	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(Br)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202983	8.66	5	4.1999113	7.37453125	NotRecorded	1	5	3.17461995	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
203002	8.5175	4	6.736023923	6.58584375	NotRecorded	1	4	-0.150180173	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccc(Cl)c(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
203042	8.452857143	7	7.560169016	7.381638393	NotRecorded	1	7	-0.178530623	COc1ccc(OC)c(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
203043	6.770081179	5	7.879834969	6.229763393	NotRecorded	1	5	-1.650071576	COc1cccc(C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C)c1OC
203061	7.619910216	5	8.047611448	6.312044643	NotRecorded	1	5	-1.735566805	CSc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
203122	7.856	5	6.951628602	6.61175	NotRecorded	1	5	-0.339878602	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
203511	7.081666667	6	4.682199643	5.932058036	NotRecorded	1	6	1.249858393	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(OC(=O)COc6ccc(F)cc6)ccc5nc34)C2=O
203647	7.791666667	6	6.708816599	6.912389286	NotRecorded	1	6	0.203572686	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(COC(=O)COc5ccc(OC)cc5)c6ccccc6nc34)C2=O
203665	6.984184151	13	5.277342577	6.744603743	NotRecorded	1	13	1.467261167	CN(C)c1ccc2nc3C(=O)c4cccnc4c5nccc(c2c1)c35
203924	6.92	6	5.961049543	6.787901786	NotRecorded	1	6	0.826852243	CC[C@@]1(OC(=O)Cc2cc(OC)c(OC)c(OC)c2)C(=O)OCC3=C1C=C4N(Cc5c(COC(=O)Cc6cc(OC)c(OC)c(OC)c6)c7ccccc7nc45)C3=O
204683	6.177261074	13	5.221146134	6.825736538	NotRecorded	1	13	1.604590405	Clc1ccc2nc3C(=O)c4cccnc4c5nccc(c2c1)c35
206715	5.619725226	9	8.479906501	8.040044643	NotRecorded, Tubulin	2	9	-0.439861858	CCC(C)(C)OC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)C(=O)[C@H](O)C(=C1C)C2(C)C)C(C)(C)C
207268	5.511994233	9	7.190222222	8.231464286	NotRecorded, Tubulin	2	9	1.041242063	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)C(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C
207269	5.407147095	8	5.761850945	8.262647321	NotRecorded, Tubulin	2	8	2.500796376	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)Oc6ccccc6)C(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C
207365	5.389318731	8	6.722235752	8.313245536	NotRecorded, Tubulin	2	8	1.591009784	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C
207392	5.710817939	9	7.839489834	7.779897321	NotRecorded, Tubulin	2	9	-0.059592512	CC(C)COC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)C(=O)[C@H](O)C(=C1C)C2(C)C)C(C)(C)C
207521	5.463411895	9	8.775006	6.608075893	NotRecorded, Tubulin	2	9	-2.166930107	CCCCOC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)C(=O)[C@H](O)C(=C1C)C2(C)C)C(C)(C)C
207522	5.660138731	9	8.123862105	8.395683036	NotRecorded, Tubulin	2	9	0.271820931	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C
207562	5.495959038	9	7.381035726	8.252517857	NotRecorded, Tubulin	2	9	0.871482131	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C
211126	4.494248894	9	5.047901952	6.009455357	NotRecorded	1	9	0.961553405	COC(=O)c1ccccc1S[C@@H]2CC(=O)O[C@@H](C)CCC\C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O
212332	4.440418873	4	4.89376803	6.03461734	NotRecorded	1	4	1.140849309	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccc(O)cc5c4[Si](C)(C)CCCCl)C2=O
212380	3.953676656	4	4.768489537	6.436354665	NotRecorded	1	4	1.667865129	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccccc5c4[Si](C)(C)CCCCl)C2=O
212827	7.0575	4	5.85762444	6.039580357	NotRecorded	1	4	0.181955917	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(C=O)c5ccccc5nc34)C2=O
212936	6.173318939	4	7.173601769	7.915142857	NotRecorded	1	4	0.741541088	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)C(NC(=O)C6CCC6)c7ccccc7)C(=C1C5(C)C)C
218742	4.596666667	9	4.867727998	6.464122396	Tubulin	1	9	1.596394398	COc1cc2CCC(C3=CC(=O)C(=CC=C3)N)c2c(OC)c1OC
218769	5.237585833	12	5.769522534	5.754688244	NotRecorded, Tubulin	2	12	-0.01483429	COc1ccc(cc1O)C2CCc3cc(OC)c(OC)c(OC)c23
218800	4.2475	12	4.396509277	5.030955208	NotRecorded, Tubulin	2	12	0.634445931	COc1cc(ccc1O)C2CCc3cc(OC)c(OC)c(OC)c23
218883	4.566666667	9	5.705192695	6.212978571	Tubulin	1	9	0.507785876	COc1cc2CCC(C3=CC(=O)C(=CC=C3)Br)c2c(OC)c1OC
239829	7.635	4	5.06524552	6.01190625	NotRecorded	1	4	0.94666073	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@](C)(O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C6(C)C)C
240490	7.66	4	6.913884533	7.381638393	NotRecorded	1	4	0.46775386	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@](C)(O)[C@@H](NC(=O)c6ccccc6)c7occc7)C(=C1C5(C)C)C
252957	4.688401971	4	4.932806094	8.331375	Tubulin	1	4	3.398568906	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3C(COC3=O)Cc4cc5OCOc5cc24
254992	4.925657052	6	4.865293357	8.331375	NotRecorded	1	6	3.466081643	COc1cc2CC3C(COC3=O)Cc4cc5OCOc5cc4c2c(OC)c1OC
255052	4.12496732	6	3.912654913	8.331375	Tubulin	1	6	4.418720087	COc1cc2C[C@H]3[C@@H](COC3=O)Cc4cc5OCOc5cc4c2c(OC)c1OC
255517	4.218533828	6	4.10564483	8.331375	NotRecorded	1	6	4.22573017	COc1cc2C[C@H]3[C@H](COC3=O)Cc4cc5OCOc5cc4c2c(OC)c1OC
255540	4.32658628	6	5.759961622	6.832771577	NotRecorded	1	6	1.072809956	COc1cc2C[C@@H]3[C@H](COC3=O)[C@H](OC(=O)C)c4cc5OCOc5cc4c2c(OC)c1OC
255580	4.937959116	4	5.016716219	8.331375	NotRecorded	1	4	3.314658781	COc1cc(cc(OC)c1OC)C2[C@@H]3C(COC3=O)Cc4cc5OCOc5cc24
255812	4.653911857	17	4.532860466	8.331375	NotRecorded	1	17	3.798514534	COc1cc2C[C@@H]3[C@H](COC3=O)Cc4cc5OCOc5cc4c2c(OC)c1OC
256030	4.527189458	10	4.524986415	8.331375	NotRecorded, Tubulin	2	10	3.806388585	COc1cc2C[C@@H]3[C@@H](COC3=O)Cc4cc5OCOc5cc4c2c(OC)c1OC
289629	5.89	15	2	7.25	Tubulin	1	15	5.25	COc1cc2CCC(OC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
289939	5.96	15	2	7.25	Tubulin	1	15	5.25	COc1cc2CCC(OC(=O)c3ccncc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC
289949	6.06	15	2	7.25	Tubulin	1	15	5.25	COc1cc2CCC(OC(=O)c3cccnc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC
290166	5.433125614	18	3.180271685	6.988391865	NotRecorded, Tubulin, Tubulin alpha chain	3	18	3.80812018	COc1cc2CC[C@@H](OC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
291812	5.982297679	20	4.6658095	5.95771	NotRecorded, Tubulin, Tubulin alpha chain	3	20	1.2919005	COc1cc2CCC(=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
292468	5.92	15	5.700507337	8.89175	Tubulin	1	15	3.191242663	COc1cc2CCC(O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
307188	9.216	10	8.86138279	5.909	NotRecorded	1	10	-2.95238279	COc1cccc(c1)C(=O)O[C@H]2[C@H]3[C@@](C)([C@@H](O)C[C@H]4OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C
311510	7.058227734	12	4.681251526	8.557558036	4′-phosphopantetheinyl transferase ffp, Geminin, NotRecorded, Nuclear receptor ROR-gamma, Peripheral myelin protein 22	5	12	3.87630651	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)C(O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
327954	9.111528263	7	6.870851701	8.684885842	NotRecorded, Tubulin beta-2 chain	2	7	1.814034141	C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccc(C)cn3)\C
327961	7.253264261	7	5.898603169	8.684885842	NotRecorded, Tubulin beta-2 chain	2	7	2.786282673	C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3cccc(C)n3)\C
327969	9.103340701	7	6.484061666	8.607709821	NotRecorded, Tubulin beta-2 chain	2	7	2.123648155	C[C@H]1CCC[C@@]2(CF)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
327970	7.511528263	7	5.899601165	6.223785714	NotRecorded, Tubulin beta-2 chain	2	7	0.324184549	CSc1nc(\C=C(/C)\[C@@H]2C\C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1
327980	8.783333333	6	5.503040794	9.52971875	NotRecorded	1	6	4.026677956	C[C@H]1CCC[C@H]2C[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
332293	6.758	10	6.837806276	8.045482143	NotRecorded	1	10	1.207675867	CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C
332380	7.149743318	17	6.688883127	6.06125	NotRecorded	1	17	-0.627633127	CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](OC(=O)c4ccccc4)[C@@H]5[C@@]6(CO[C@@H]6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C)C(=C1C)C3(C)C)OC(=O)C
336736	5.780878757	32	6.690574477	6.381206473	NotRecorded, Tubulin	2	32	-0.309368003	COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc3cc(OC)cc(OC)c3
336766	4.680656478	17	6.336583333	5.688945483	NotRecorded, Tubulin	2	17	-0.64763785	CCOC(=O)c1[nH]c2ccc(OC)cc2c1Sc3ccc(OC)cc3
336806	4.948235294	17	6.316485439	5.650174895	NotRecorded, Tubulin	2	17	-0.666310544	CCOC(=O)c1[nH]c2ccc(OC)cc2c1Sc3ccccc3OC
336812	5.084503749	16	6.570485439	6.580324219	NotRecorded, Tubulin	2	16	0.00983878	CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1Sc3ccccc3
336847	4.660697508	16	5.872882963	5.934396484	NotRecorded, Tubulin	2	16	0.061513522	COC(=O)c1[nH]c2cc(OC)ccc2c1Sc3ccccc3
336875	4.680656478	17	6.811741879	6.153389535	NotRecorded, Tubulin	2	17	-0.658352344	CCOC(=O)c1[nH]c2ccccc2c1Sc3ccc(OC)cc3
336879	4.779532941	17	5.826770784	6.054727941	NotRecorded, Tubulin	2	17	0.227957157	COC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c3cccc(OC)c3
336884	5.075594523	32	7.425360386	6.258324526	NotRecorded, Tubulin	2	32	-1.16703586	COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc3ccccc3OC
336885	4.660697508	16	5.225852082	6.595123326	NotRecorded, Tubulin	2	16	1.369271244	COC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c3ccccc3OC
336887	4.660697508	16	5.735833333	6.308148438	NotRecorded, Tubulin	2	16	0.572315104	COC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c3ccc(OC)cc3
336889	4.660697508	16	6.532758101	6.768917969	NotRecorded, Tubulin	2	16	0.236159867	COC(=O)c1[nH]c2ccc(OC)cc2c1S(=O)(=O)c3ccccc3
336904	4.660697508	16	5.872882963	5.975590234	NotRecorded, Tubulin	2	16	0.102707272	COC(=O)c1[nH]c2cccc(OC)c2c1Sc3ccccc3
336917	5.432895943	32	7.379904146	5.7206741	NotRecorded, Tubulin	2	32	-1.659230046	COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc3cccc(OC)c3
336944	4.660697508	16	4.172479186	6.538378251	NotRecorded, Tubulin	2	16	2.365899064	CCCOC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
336979	5.150128749	16	7.645792445	5.98930127	NotRecorded, Tubulin	2	16	-1.656491175	CCOC(=O)c1[nH]c2ccccc2c1Sc3ccccc3OC
336995	5.332142763	32	7.664598936	6.254256515	NotRecorded, Tubulin	2	32	-1.410342421	CCOC(=O)c1[nH]c2ccccc2c1Sc3cccc(OC)c3
336999	4.981378749	16	5.079972916	6.538378251	NotRecorded, Tubulin	2	16	1.458405334	CC(C)OC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
337009	4.660697508	16	5.302051242	6.462729325	NotRecorded, Tubulin	2	16	1.160678082	CCCCOC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
337010	4.660697508	16	5.330155272	6.551465751	NotRecorded, Tubulin	2	16	1.221310479	CCC(C)OC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
337045	4.660697508	16	5.189140052	6.551465751	NotRecorded, Tubulin	2	16	1.362325699	CC(C)(C)OC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
337183	4.660697508	16	5.260376708	6.538378251	NotRecorded, Tubulin	2	16	1.278001543	CC(C)CCOC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
337190	4.660697508	16	5.4875	6.041497391	NotRecorded, Tubulin	2	16	0.553997391	O=C(OCc1ccccc1)c2[nH]c3ccccc3c2Sc4ccccc4
340290	5.528125	16	5.408667368	6.013825893	NotRecorded, Tubulin	2	16	0.605158525	CS(=O)(=O)Nc1ccc(CNc2ncccc2c3oc(Nc4ccc5OCOc5c4)nn3)cc1
343116	5.236364005	25	6.494	5.672457036	NotRecorded, Tubulin	2	25	-0.821542964	Nc1ccccc1C(=O)NC(=O)Nc2ccc(Sc3ncc(Br)cn3)cc2
345210	5.819363217	9	7.108729919	7.948625	NotRecorded	1	9	0.839895081	CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@H]2O
348864	5.585466448	49	7.440460124	5.25423852	NotRecorded, Tubulin	2	49	-2.186221603	COc1cc(\C=C/Cc2cc(O)c3ccoc3c2)cc(OC)c1OC
351365	6.37922086	5	5.209604595	6.07796875	NotRecorded	1	5	0.868364155	C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@H](O)\C=C\C(=O)O1)OC(=O)CCCC(=O)NCCCCCCO
353683	6.427267714	13	5.169108276	6.87231147	Heat shock protein 90 beta, Heat shock protein HSP90, NotRecorded	3	13	1.703203194	CO[C@H]1C[C@H](C)CC2=C(NC[C@H](O)CO)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O
355713	6.760847175	8	5.595559008	7.179875	NotRecorded	1	8	1.584315992	COc1cc2C(=O)N(CCNCCCNCCN3C(=O)c4cc(OC)c(OC)cc4C5=C3c6ccccc6C5=O)C7=C(C(=O)c8ccccc78)c2cc1OC
355714	5.601304038	8	6.607947679	6.950433036	NotRecorded	1	8	0.342485356	COc1cc2C(=O)N(CCCNCCCNCCCN3C(=O)c4cc(OC)c(OC)cc4C5=C3c6ccccc6C5=O)C7=C(C(=O)c8ccccc78)c2cc1OC
355717	6.524428283	8	6.502875668	7.662245536	NotRecorded	1	8	1.159369867	[O-][N+](=O)c1cc2C(=O)N(CCNCCCNCCN3C(=O)c4cc(c(cc4C5=C3c6ccccc6C5=O)[N+](=O)[O-])[N+](=O)[O-])C7=C(C(=O)c8ccccc78)c2cc1[N+](=O)[O-]
355718	5.757756676	8	6.524192664	7.45884375	NotRecorded	1	8	0.934651086	[O-][N+](=O)c1cc2C(=O)N(CCCNCCCNCCCN3C(=O)c4cc(c(cc4C5=C3c6ccccc6C5=O)[N+](=O)[O-])[N+](=O)[O-])C7=C(C(=O)c8ccccc78)c2cc1[N+](=O)[O-]
355917	6.125412975	318	5.121274678	6.177424241	ATP-dependent DNA helicase Q1, ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Androgen Receptor, Ataxin-2, Cholinesterase, Geminin, Heat shock protein beta-1, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Huntingtin, Hypoxia-inducible factor 1 alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Lysine-specific demethylase 4A, Lysine-specific demethylase 4D-like, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, Niemann-Pick C1 protein, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Nuclear factor erythroid 2-related factor 2, Nuclear receptor subfamily 0 group B member 1, Paired box protein Pax-8, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Peroxisome proliferator-activated receptor delta, Prelamin-A/C, Proto-oncogene c-JUN, Ras-related protein Rab-9A, Thioredoxin reductase 1- cytoplasmic, Tubulin	30	318	1.056149563	CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O
355983	4.8125	16	7.325161411	6.597680455	NotRecorded, Tubulin	2	16	-0.727480956	COc1cc(cc(OC)c1OC)c2cocc2c3ccc4OCOc4c3
356591	5.100625	16	6.041781535	6.703854818	NotRecorded, Tubulin	2	16	0.662073282	COc1cc(cc(OC)c1OC)c2cocc2c3ccc(OC)c(c3)[N+](=O)[O-]
356592	5.205625	16	6.939754223	5.843342727	NotRecorded, Tubulin	2	16	-1.096411497	COc1ccc(cc1N)c2cocc2c3cc(OC)c(OC)c(OC)c3
358025	5.100979548	4	4.791228048	6.308452679	Tubulin	1	4	1.517224631	CC(C)c1cccc(C(C)C)c1N2C(=O)c3cccc(F)c3C2=O
358262	5.141176471	17	6.376875	5.98977405	NotRecorded, Tubulin	2	17	-0.38710095	COc1ccc(Nc2nc(cs2)n3cc(C)nc3C)cc1
360419	6.335	12	5.674023143	6.576375	NotRecorded	1	12	0.902351857	C\C(=N/Nc1oc2ccccc2n1)\c3nccc4ccccc34
360470	7.19	12	6.879158235	6.060791667	NotRecorded	1	12	-0.818366568	N(\N=C(/c1ccccc1)\c2ccccn2)c3oc4ccccc4n3
360593	4.745945243	36	7.217246856	5.83000744	NotRecorded, Tubulin	2	36	-1.387239416	COc1ccc(N)c(\C=C/c2cc(OC)c(OC)c(OC)c2)c1
360614	4.841071018	36	5.749701514	5.593878423	NotRecorded, Tubulin	2	36	-0.155823092	COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])cc1
360649	4.713071179	36	4.65886159	6.12688244	NotRecorded, Tubulin	2	36	1.468020851	COc1ccc(\C=C/c2cc(OC)c(OC)cc2N)cc1
366705	5.998823529	17	6.727312067	6.203857143	NotRecorded, Tubulin	2	17	-0.523454925	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7cccc(OCC=C)c7)C(=C1C5(C)C)C
366706	6.015294118	17	6.004024193	6.4595625	NotRecorded, Tubulin	2	17	0.455538307	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7cccc(C=C)c7)C(=C1C5(C)C)C
366707	5.830134195	17	6.727312067	6.203857143	NotRecorded, Tubulin	2	17	-0.523454925	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7OCC=C)C(=C1C5(C)C)C
366734	6.570563032	20	6.727312067	6.268263393	NotRecorded, Tubulin	2	20	-0.459048675	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)CCC=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7OCC=C)C(=C1C5(C)C)C
366735	6.52335294	20	5.864312067	6.246982143	NotRecorded, Tubulin	2	20	0.382670075	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)CCC=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7cccc(C=C)c7)C(=C1C5(C)C)C
366736	5.727112495	17	6.727312067	6.268263393	NotRecorded, Tubulin	2	17	-0.459048675	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)CCC=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7cccc(OCC=C)c7)C(=C1C5(C)C)C
366738	5.382272501	17	6.84630239	6.196875	NotRecorded, Tubulin	2	17	-0.64942739	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)\C=C/COc5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366739	6.829131476	20	6.889870865	7.405742188	NotRecorded, Tubulin	2	20	0.515871323	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)\C=C/COc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366740	6.507443898	20	6.578579198	6.21134375	NotRecorded, Tubulin	2	20	-0.367235448	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)\C=C\CCOc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366741	7.245659059	20	5.717454198	6.9953125	NotRecorded, Tubulin	2	20	1.277858302	CC(=O)O[C@H]1C(=O)[C@]2(C)C(O)C[C@H]3OC[C@]34OC(=O)\C=C/Cc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366742	6.758219686	4	6.533491261	6.962835938	NotRecorded	1	4	0.429344676	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CC\C=C\COc5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366743	6.08955395	20	6.219370865	6.55784375	NotRecorded, Tubulin	2	20	0.338472885	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CC\C=C\c5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366744	6.119197786	17	7.082370865	6.962835938	NotRecorded, Tubulin	2	17	-0.119534927	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CC\C=C\COc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366745	6.326227174	17	6.727312067	6.875929688	NotRecorded, Tubulin	2	17	0.14861762	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCC\C=C\COc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366746	6.030162104	17	6.727312067	6.940335938	NotRecorded, Tubulin	2	17	0.21302387	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCC\C=C\COc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366747	5.955181145	17	6.772954198	6.04865625	NotRecorded, Tubulin	2	17	-0.724297948	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCOc5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366748	6.429191431	20	5.15275	6.1304375	NotRecorded, Tubulin	2	20	0.9776875	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCOc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366749	6.765534262	17	7.732454198	6.968273438	NotRecorded, Tubulin	2	17	-0.764180761	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCOc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366750	7.329335529	20	6.523120865	6.55784375	NotRecorded, Tubulin	2	20	0.034722885	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366752	5.498106838	17	6.736395401	6.875929688	NotRecorded, Tubulin	2	17	0.139534287	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCCOc5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366753	5.829887027	17	5.864312067	6.4655	NotRecorded, Tubulin	2	17	0.601187933	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCc5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366754	6.181635066	17	6.727312067	6.875929688	NotRecorded, Tubulin	2	17	0.14861762	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCCOc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366755	6.068748007	17	6.727312067	6.875929688	NotRecorded, Tubulin	2	17	0.14861762	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCCCOc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366756	6.766605347	17	6.219370865	6.49140625	NotRecorded, Tubulin	2	17	0.272035385	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)C\C=C\c5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366757	6.441875127	17	7.082370865	6.901835938	NotRecorded, Tubulin	2	17	-0.180534927	COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@]45CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C6=C(C)[C@H](C[C@]2(O)C6(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8\C=C\CC(=O)O5
366759	6.806097635	17	7.732454198	7.405742188	NotRecorded, Tubulin	2	17	-0.326712011	COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@]45CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C6=C(C)[C@H](C[C@]2(O)C6(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8C\C=C\C(=O)O5
366760	6.587474047	17	6.048416667	7.111148438	NotRecorded, Tubulin	2	17	1.062731771	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)C\C=C\c5ccccc5[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]6C[C@@](O)([C@@H](OC(=O)c7ccccc7)[C@@H]24)C(C)(C)C1=C6C
366786	5.051176471	17	7.349770868	5.978651961	NotRecorded, Tubulin	2	17	-1.371118908	COc1cc(cc(OC)c1OC)c2nncn2c3ccc4N(C)CCc4c3
366793	6.648284005	17	6.048416667	7.339304688	NotRecorded, Tubulin	2	17	1.290888021	COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@]45CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C6=C(C)[C@H](C[C@]2(O)C6(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7\C=C\CC(=O)O5
366794	7.010641907	17	6.6985	6.21134375	NotRecorded, Tubulin	2	17	-0.48715625	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCc5ccccc5[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]6C[C@@](O)([C@@H](OC(=O)c7ccccc7)[C@@H]24)C(C)(C)C1=C6C
366795	6.944921164	17	6.509	6.232625	NotRecorded, Tubulin	2	17	-0.276375	COc1cccc(c1)C(=O)O[C@H]2[C@H]3[C@@]4(C)[C@@H](O)C[C@H]5OC[C@@]35OC(=O)CCCc6ccccc6[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]7C[C@]2(O)C(C)(C)C(=C7C)[C@@H](OC(=O)C)C4=O
370446	6.136667661	7	2.400514998	6.0561875	NotRecorded	1	7	3.655672502	O[C@@H]1[C@@H](O)[C@H](O)[C@@H]2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@@H]1O
370513	4.51851394	7	3.625243459	6.6045	NotRecorded	1	7	2.979256541	COC(=O)C(=O)Oc1c2OCOc2cc3c1C(=O)N([C@H]4[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@]34OC(=O)C(=O)OC)C(=O)C(=O)OC
370515	5.044462856	7	5.226796144	6.541739583	NotRecorded	1	7	1.314943439	CC(=O)O[C@H]1[C@@H](OC(=O)C)[C@@H]2NC(=O)c3c(O)c4OCOc4cc3[C@@]25OC(=O)O[C@H]5[C@@H]1OC(=O)C
373121	4.95289513	31	5.646442755	6.024482863	NotRecorded, Tubulin	2	31	0.378040108	COC(=O)c1[nH]c2ccc(OC)cc2c1Sc3ccccc3
373350	4.768540129	4	4.851089559	7.109173438	NotRecorded	1	4	2.258083878	COc1cc(cc(O)c1O)[C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c4cc(OC)c5OCOc5c4
374993	4.606	5	4.139262854	6.053227679	NotRecorded	1	5	1.913964825	C[C@@H]1NC(=O)[C@H](Cc2ccccc2)OC(=O)[C@@H](Cc3ccc(OCC=C(C)C)cc3)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc4ccc(O)cc4)NC(=O)CNC1=O
378179	5.551531476	5	5.533710182	7.5855125	NotRecorded	1	5	2.051802318	C[C@@H]1[C@H](O[C@@]2(O)C[C@H]3[C@@H](C[C@@H](O)[C@@]4(Cl)CC=CC(=O)[C@]34C)[C@@H]5CC[C@]1(O)[C@@]25C)[C@@H]6OC(=O)C(=C6C)C
380607	5.57699244	34	6.559988225	5.753484375	NotRecorded, Tubulin	2	34	-0.80650385	COc1cc(Sc2c[nH]c3ccccc23)cc(OC)c1OC
380608	5.251741239	31	7.84776652	6.581631048	NotRecorded, Tubulin	2	31	-1.266135472	COc1cc(Sc2c(C)[nH]c3ccccc23)cc(OC)c1OC
380612	5.419710398	31	6.899483156	6.454177383	NotRecorded, Tubulin	2	31	-0.445305773	COc1cc(Sc2c(C)[nH]c3ccc(Cl)cc23)cc(OC)c1OC
380619	5.368515433	31	7.721038279	6.784576613	NotRecorded, Tubulin	2	31	-0.936461666	COc1ccc2[nH]cc(Sc3cc(OC)c(OC)c(OC)c3)c2c1
380622	4.78875	16	6.826593189	5.940376018	NotRecorded, Tubulin	2	16	-0.886217172	COc1cc(Sc2c[nH]c3ccc(OC(C)C)cc23)cc(OC)c1OC
380736	6.76	5	5.56365726	7.844405833	NotRecorded	1	5	2.280748574	CO[C@@H]1C[C@@H](C)O[C@H]2O[C@@H]3C=C4CC[C@@H]5[C@H](CC[C@]6(C)[C@H]([C@H](C[C@]56O)OC(=O)C)C7=CC(=O)OC7)[C@@]4(C)C[C@H]3O[C@@]12O
380738	7.208	5	5.149109007	6.490371607	NotRecorded	1	5	1.3412626	CO[C@H]1CCO[C@H]2O[C@@H]3C=C4CC[C@@H]5[C@H](CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)[C@@]4(C)C[C@H]3O[C@@]12O
382836	5.814166151	6	5.083173389	7.128051786	NotRecorded	1	6	2.044878397	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O
382840	4.853908799	4	5.670845865	6.4983125	NotRecorded	1	4	0.827466635	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC=C(C7=CC(=O)OC7)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O
382843	5.087972344	5	4.327579123	7.22804375	NotRecorded	1	5	2.900464627	CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46C[C@H]7O[C@@]7(C8=CC(=O)OC8)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O
382845	5.237108275	7	5.817846891	7.341297321	NotRecorded	1	7	1.523450431	CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O
382846	6.568304497	267	3.173465617	6.201095729	ATPase family AAA domain-containing protein 5, Chromobox protein homolog 1, Geminin, Glucagon-like peptide 1 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, Niemann-Pick C1 protein, NotRecorded, Nuclear factor erythroid 2-related factor 2, Paired box protein Pax-8, Potassium-transporting ATPase alpha chain 2, Ras-related protein Rab-9A, Sodium/potassium-transporting ATPase, Sodium/potassium-transporting ATPase alpha-1 chain, Thioredoxin reductase 1- cytoplasmic, Thyroid stimulating hormone receptor	17	267	3.027630111	C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5
382847	5.583129484	7	5.225107349	6.982352423	NotRecorded	1	7	1.757245074	CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O
382849	5.229079044	5	5.77965646	5.5983125	NotRecorded	1	5	-0.18134396	CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC=C(C7=CC(=O)OC7)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O
382852	5.154795468	6	5.756780136	7.317488542	NotRecorded	1	6	1.560708406	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O
387659	5.792240683	37	7.558352927	5.668179971	NotRecorded, Tubulin	2	37	-1.890172956	COc1cc(cc(OC)c1OC)C(=O)c2ccc3[nH]ccc3c2
388231	5.362333545	8	5.358168594	5.972722098	NotRecorded	1	8	0.614553504	[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(I)cc4C3=O
388240	7.610763854	9	5.730465992	6.404832837	NotRecorded	1	9	0.674366845	NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(F)cc4C3=O)[N+](=O)[O-]
388255	4	7	4.933566169	5.975692857	NotRecorded	1	7	1.042126688	COC(=O)c1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCCl
388260	4.300162274	8	4.921842676	5.940383929	NotRecorded	1	8	1.018541253	COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4cc(NC(=O)C)ccc34)c2cc1OC
388267	8	6	6.181869379	6.402888393	NotRecorded	1	6	0.221019014	COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCOCC5)[N+](=O)[O-]
388310	7.962371251	8	6.998594219	6.823741071	NotRecorded	1	8	-0.174853147	COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCn5ccnc5)[N+](=O)[O-]
389478	5.500122054	7	4.322492979	4.025857143	NotRecorded	1	7	-0.296635836	Cc1n[nH]c2NC3=C(C(c4ccc(Br)cc4)c12)C(=O)OC3
393442	7.307332767	10	6.761366804	8.291496302	NotRecorded	1	10	1.530129498	CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1OC(=O)CCC(=O)O[C@H]([C@@H](NC(=O)c2ccccc2)c3ccccc3)C(=O)O[C@H]4C[C@@]5(O)[C@@H](OC(=O)c6ccccc6)[C@@H]7[C@@]8(CO[C@@H]8C[C@H](O)[C@@]7(C)C(=O)[C@H](OC(=O)C)C(=C4C)C5(C)C)OC(=O)C
393895	6.869062429	21	7.905652441	5.262473668	NotRecorded	1	21	-2.643178773	COc1ccc2c3CN4CCCC4Cc3c5cc(OC)c(OC)cc5c2c1
397074	3.260722646	470	4.739010829	6.989875	Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor erythroid 2-related factor 2, Peroxisome proliferator-activated receptor delta, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	107	470	2.250864171	CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CC(C)C)CC6)N=C5c4c3C2=O)NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C
408928	4	6	5.733922391	6.27334375	NotRecorded	1	6	0.539421359	O=C(OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccccc4)[C@@H]5O[C@]5(COC(=O)c6ccccc6)[C@@H]23)[C@H](OC(=O)c7ccccc7)[C@@H](OC(=O)c8ccccc8)[C@@H]1OC(=O)c9ccccc9)c%10ccccc%10
411428	6.682207031	5	4.05578065	6.12605886	NotRecorded	1	5	2.07027821	COc1cc(SC)ccc1C2CC(=NCCS2)C3=C(O)C=C(C)OC3=O
411430	6.349426516	4	4.46048048	7.030485034	NotRecorded	1	4	2.570004554	COc1cc(ccc1C2CC(=NCCS2)C3=C(O)C=C(C)OC3=O)N(C)C
411431	6.227038489	4	5.098409287	7.441278125	NotRecorded	1	4	2.342868838	COc1ccc(cc1OC)C2CC(=NCCS2)C3=C(O)C=C(C)OC3=O
415836	5.297350095	14	5.837469688	6.791841661	NotRecorded, Proto-oncogene c-JUN	2	14	0.954371973	COc1cc2c3CN4CCC[C@H]4[C@H](O)c3c5cc(OC)c(OC)cc5c2cc1OC
418751	8.608806995	6	7.016816172	6.35709375	NotRecorded	1	6	-0.659722422	COc1cc(cc(Br)c1OC)C2C(=C(N)Oc3c4CCN(C)c4ccc23)C#N
419508	4.474046205	593	4.314638489	7.398125	ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bile acid receptor FXR, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cellular tumor antigen p53, Cholecystokinin A receptor, Cruzipain, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, DNA topoisomerase II alpha, DNA topoisomerase II beta, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Isocitrate dehydrogenase [NADP] cytoplasmic, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Microtubule-associated protein tau, Monoamine oxidase A, Monoamine oxidase B, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Niemann-Pick C1 protein, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Peripheral myelin protein 22, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Proto-oncogene c-JUN, Ras-related protein Rab-9A, Receptor protein-tyrosine kinase erbB-2, Retinoid X receptor alpha, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Serum albumin, Sigma opioid receptor, Signal transducer and activator of transcription 1-alpha/beta, Signal transducer and activator of transcription 3, Sodium/potassium-transporting ATPase, Sodium/potassium-transporting ATPase alpha-1 chain, Solute carrier organic anion transporter family member 1A1, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 4C1, Thromboxane-A synthase, Thyroid hormone receptor beta-1, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor, Vitamin D receptor	138	593	3.083486511	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C
420059	5.031666667	6	5.858821031	6.027546131	NotRecorded	1	6	0.1687251	CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@@H]4CCCN4C(=O)[C@@H](Cc5ccccc5)NC(=O)[C@H](CC(C)C)NC1=O
420126	6.887926379	8	6.419263247	6.788644531	NotRecorded	1	8	0.369381284	COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5C(=C(O)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)[C@H](OC(=O)CC(C)C)[C@@H]24
420602	4.82625	8	4.450092234	6.5191875	NotRecorded	1	8	2.069095266	CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](O)C(=C(C(=O)C3=O)C5(C)C)C
420603	6.81	5	7.113566924	5.996357143	NotRecorded	1	5	-1.117209782	C\C=C(\C)/C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
420605	5.83	5	5.50154969	6.88235119	NotRecorded	1	5	1.380801501	C\C=C(\C)/C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@@H](O)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
420606	5.88	5	4.948958333	7.273450893	NotRecorded	1	5	2.32449256	CCC(C)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
421505	6.79	10	6.237811098	7.98676382	NotRecorded	1	10	1.748952722	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)\C=C\C[C@@H]6C[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@]7(C)[C@H]6O)[C@@H](NC(=O)c%10ccccc%10)c%11ccccc%11)C(=C1C5(C)C)C
421508	6.649218252	10	6.151725405	5.5931775	NotRecorded	1	10	-0.558547905	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)O[C@@H]6C[C@]7(C)[C@@H](O)CC[C@H]7[C@@H]8CCc9cc(O)ccc9[C@@H]68)[C@@H](NC(=O)c%10ccccc%10)c%11ccccc%11)C(=C1C5(C)C)C
421510	5.865	4	5.584065132	7.78770526	NotRecorded	1	4	2.203640128	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@@H](OC(=O)\C=C\C[C@@H]6C[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@]7(C)[C@H]6O)[C@@H](NC(=O)c%10ccccc%10)c%11ccccc%11)C(=C1C5(C)C)C
422521	5.780308047	9	5.364289132	6.122042163	Heat shock protein HSP 90-beta, NotRecorded	2	9	0.75775303	CO[C@H]1CC\C=C\C(=O)Nc2cc(O)cc(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(/C)\[C@@H]1OC(=O)N)c2
424979	8.134404341	7	7.569270435	6.66546875	NotRecorded	1	7	-0.903801685	CO[C@H]1c2nc3C[C@@H]4CC[C@@H]5[C@H](C[C@@H](O)[C@@]6(C)C5=C[C@@H]7O[C@]8(O[C@](C)(CO)C[C@H]8O)[C@@H](C)[C@]67O)[C@@]4(C)Cc3nc2C[C@@H]9CC[C@@H]%10[C@H](CC(=O)[C@]%11%12CO[C@]%13(OC(C)(C)C[C@H]%13O)[C@H](C)[C@H]%11CC=C%10%12)[C@@]19C
424985	6.380719686	4	4.428632168	8.004078125	NotRecorded, Ornithine decarboxylase	2	4	3.575445957	COc1cc(cc(OC)c1OC)[C@@H]2[C@H]3[C@H](COC3=O)Cc4cc5OCOc5cc24
425245	7.179089979	6	6.804354387	7.22321875	NotRecorded	1	6	0.418864363	CC[C@H](C)[C@@H]1OC(=O)C(C)C(CC)NC(=O)[C@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)CNC1=O
430507	5.98298777	10	5.400224591	6.493021131	NotRecorded	1	10	1.092796539	CCCN(CCCCNc1c2ccc(Cl)cc2nc3ccc(OC)cc13)CCCNc4c5ccc(Cl)cc5nc6ccc(OC)cc46
435230	6.574782168	5	6.121862788	5.898877976	NotRecorded	1	5	-0.222984812	COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCNC(=O)c4cc(NC(=O)c5cc(NC(=O)c6cc(NC(=O)CCCOc7cc8N=C[C@@H]9CCCN9C(=O)c8cc7OC)cn6C)cn5C)cn4C
436978	8.42912982	7	8.235237107	7.814658163	NotRecorded	1	7	-0.420578943	COc1ccc2c3CN4CCCCC4Cc3c5cc(OC)c(OC)cc5c2c1
437562	7.668899119	16	7.654052338	6.800988095	NotRecorded	1	16	-0.853064243	COc1ccc(C[C@@H]2N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@H](N(C)C(=O)[C@H](C)NC2=O)C(=O)N3C)cc5)c4)cc1
438440	6.079818108	8	3.766022757	4.458126674	NotRecorded	1	8	0.692103917	CSCC[C@H](N)C(=O)NCCNc1ccc(NCCNC(=O)[C@@H](N)CCSC)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
439095	5.069236916	7	5.229664175	5.98254375	NotRecorded	1	7	0.752879575	CC(C)(C)OC[C@H](N)C(=O)NCCNc1ccc(NCCNC(=O)[C@@H](N)COC(C)(C)C)c2C(=O)c3ccccc3C(=O)c12
441106	7.48	4	6.701670659	8.096322057	NotRecorded	1	4	1.394651398	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1csc(n1)c2ccccc2)[C@@H](C)O)B(O)O
441205	7.815	4	6.968558678	8.045089048	NotRecorded	1	4	1.07653037	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(ccn1)c2ccccc2)[C@@H](C)O)B(O)O
441257	7.815	4	6.950001675	7.765773741	NotRecorded	1	4	0.815772067	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)c2ccccc2)[C@@H](C)O)B(O)O
441258	7.81	4	6.833728849	7.765773741	NotRecorded	1	4	0.932044893	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(c1)c2ccccc2)[C@@H](C)O)B(O)O
441263	7.3075	4	6.789953321	7.81700675	NotRecorded	1	4	1.02705343	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H](C)O)B(O)O
441287	7.195	4	5.630535576	6.97324442	NotRecorded	1	4	1.342708844	C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)\C=C\C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
441305	7.7375	4	7.031760942	8.045089048	NotRecorded	1	4	1.013328106	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)[C@@H](C)O)B(O)O
441309	6.978333333	6	6.307013777	7.349319373	NotRecorded	1	6	1.042305597	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)O)B(O)O
441334	6.6625	4	4.86581027	7.779404018	NotRecorded	1	4	2.913593748	C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)CCC(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
441868	7.6925	4	6.878320494	8.045089048	NotRecorded	1	4	1.166768554	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cncc(n1)c2ccccc2)[C@@H](C)O)B(O)O
441871	7.77	4	6.968558678	8.045089048	NotRecorded	1	4	1.07653037	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnc(cn1)c2ccccc2)[C@@H](C)O)B(O)O
442649	4.462682311	9	5.699187275	6.561097925	NotRecorded	1	9	0.86191065	COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)c(O)c1O
442806	2	4	2	7.106223214	NotRecorded	1	4	5.106223214	C[C@H]1C(=O)O[C@H]2[C@@H](Cl)C(=C)[C@H]3C[C@@H](OC(=O)C)[C@@]4(C)[C@H](CC[C@]5(CO5)[C@@H]4[C@@H](OC(=O)C)[C@]12O3)OC(=O)C
443410	6.273284982	10	5.81998783	5.575795089	NotRecorded	1	10	-0.244192741	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H]5O[C@@H]6O[C@H](CO)C[C@@H](O)[C@]6(O)O[C@@H]5C[C@]34CO)[C@@]1(O)CC[C@@H]2C7=CC(=O)OC7
443711	6.052662776	4	4.319587578	5.6701625	NotRecorded	1	4	1.350574922	C[C@H]1[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc(n2)[C@@H](O)C(C)(C)OC(=O)c3csc(n3)[C@@H](OC1=O)C(C)(C)O
443961	6.572040223	12	6.470518477	7.071	NotRecorded	1	12	0.600481523	CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C
444315	4.951076816	41	4.947968508	6.094227461	4′-phosphopantetheinyl transferase ffp, ATPase family AAA domain-containing protein 5, Beta-lactamase AmpC, Cruzipain, DNA damage-inducible transcript 3 protein, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Huntingtin, Muscleblind-like protein 1, Neuropeptide S receptor, NotRecorded, Nuclear receptor ROR-gamma, Prelamin-A/C, Survival motor neuron protein, X-box-binding protein 1	15	41	1.146258952	C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]23C[C@]12CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C)C(C)(C)[C@@H]5C[C@@H](O[C@@H]6O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]6O)[C@@]34C
444914	6.469351367	26	6.698281047	6.174271715	NotRecorded	1	26	-0.524009332	O[C@H]1C=C2[C@@H](NC(=O)c3cc4OCOc4cc23)[C@H](O)[C@@H]1O
445010	4.318511545	4	5.228738544	7.875875	NotRecorded	1	4	2.647136456	C[C@H](C[C@H](O)\C=C(/C)\C(=O)O)[C@@]1(C)C[C@H]2O[C@]23[C@]1(C)CCC(=O)[C@@]34CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C
445577	6.450302241	6	4.78735304	7.635375	NotRecorded	1	6	2.84802196	COC(=O)[C@]12OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)[C@H](OC(=O)\C=C(/C)\C(C)C)[C@@H]24
445578	5.892006529	6	5.728383787	7.742625	NotRecorded	1	6	2.014241213	COC(=O)[C@]12OC[C@@]34[C@@H](C[C@H]5[C@H](C)CC(=O)[C@@H](O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)\C=C(/C)\C(C)C)[C@@H]24
445579	6.193086937	6	4.80991202	7.6685	NotRecorded	1	6	2.85858798	COC(=O)[C@]12OC[C@@]34[C@@H](C[C@H]5[C@H](C)C=C(O)C(=O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)\C=C(/C)\C(C)C)[C@@H]24
448346	5.76875	8	5.103227402	7.044589844	NotRecorded	1	8	1.941362442	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c6CN(Cc7ccc(OC)cc7)COc6ccc5nc34)C2=O
448347	6.16875	8	4.646291878	5.979133789	NotRecorded	1	8	1.332841911	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c6CN(COc6ccc5nc34)c7ccccc7C)C2=O
448415	6.0725	8	4.103823336	6.542220982	NotRecorded	1	8	2.438397646	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c6CN(COc6ccc5nc34)c7ccccc7OC)C2=O
448416	6.13875	8	4.281531594	6.127544643	NotRecorded	1	8	1.846013049	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c6CN(COc6ccc5nc34)c7ccc(OC)cc7)C2=O
448588	6.095714286	7	5.843877539	6.683957143	NotRecorded	1	7	0.840079604	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c6CN(COc6ccc5nc34)c7ccc(F)c(F)c7F)C2=O
450664	5.082222222	9	5.821427151	6.308177083	NotRecorded	1	9	0.486749932	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NS(=O)(=O)C(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
454065	5.057142857	7	4.655255225	6.296114583	NotRecorded	1	7	1.640859359	CCOC(=O)c1cc2cc(OC)c(OC)cc2c3cnc4cc5OCOc5cc4c13
454129	6.302857143	7	5.536921792	6.286307292	NotRecorded	1	7	0.749385499	COc1cc2cc(CC[N+](=O)[O-])c3c(cnc4cc5OCOc5cc34)c2cc1OC
455580	6.457092926	7	4.918081648	7.624237883	NotRecorded	1	7	2.706156235	O[C@@H]1[C@@H](OC(=O)c2ccccc2)C=C3[C@@H](NC(=O)c4c(OC(=O)c5ccccc5)c6OCOc6cc34)[C@@H]1O
455811	4.255282917	8	5.83627885	6.833651786	NotRecorded	1	8	0.997372936	CC(=O)O[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C(=C)[C@H]3C[C@@]4(CC(=O)C(=C4[C@@H](OC(=O)c5ccccc5)[C@H](OC(=O)C)[C@]13C)C)C(C)(C)O
455813	3.610663075	8	5.153123174	6.769245536	NotRecorded	1	8	1.616122361	CC(=O)O[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C(=C)[C@H]3C[C@@]4(C[C@H](O)C(=C4[C@@H](OC(=O)c5ccccc5)[C@H](OC(=O)C)[C@]13C)C)C(C)(C)O
455814	3.596740011	8	5.277706508	6.769245536	NotRecorded	1	8	1.491539028	CC(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2C[C@@]3(C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(=C3[C@@H](OC(=O)c5ccccc5)[C@H](OC(=O)C)[C@]12C)C)C(C)(C)O
461497	6.869043676	4	7.119037189	6.864855283	NotRecorded	1	4	-0.254181906	CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
461658	7.084504292	9	5.761945248	6.578402778	NotRecorded	1	9	0.81645753	CC[C@](C)(OC(=O)C)C(=O)O[C@@H]1[C@H]2[C@]3(C)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@H]4[C@@H](O)[C@@H]3O)C)OC1=O
461694	4.166713249	13	4.73277074	4.887028846	NotRecorded	1	13	0.154258106	CC(=O)O[C@H]1C=C2[C@@H](NC(=O)c3cc4OCOc4cc23)[C@H](OC(=O)C)[C@@H]1OC(=O)C
461696	5.683664357	7	5.394860048	5.139991071	NotRecorded	1	7	-0.254868976	CC(=O)O[C@H]1C[C@H]2[C@@H](NC(=O)c3cc4OCOc4cc23)[C@H](OC(=O)C)[C@@H]1OC(=O)C
462262	5.64302833	7	5.991435275	8.156808036	NotRecorded	1	7	2.165372761	COc1ccc(cc1)[C@@]23Oc4cc5OCOc5c(OC)c4[C@]2(O)[C@H](O)[C@@H]([C@H]3c6ccccc6)C(=O)N(C)C
462523	5.4	5	5.669913727	6.794581355	NotRecorded	1	5	1.124667629	CCC(C)C(=O)O[C@H]1[C@H](OC(=O)\C=C\c2ccccc2)C(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)[C@@H](O)[C@@H](O)[C@@]13CO
462524	5.278	5	3.867869219	6.215733385	NotRecorded	1	5	2.347864166	CC(=CCC\C(=C/C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H](OC(=O)C)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO)\C)C
462527	5.294	5	5.908030684	6.794388802	NotRecorded	1	5	0.886358118	CCC(C)C(=O)O[C@H]1[C@H](OC(=O)\C=C(\C)/CCC=C(C)C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO
462528	5.144	5	5.975656185	6.618982552	NotRecorded	1	5	0.643326368	CCC(C)C(=O)O[C@H]1[C@H](OC(=O)\C=C(/C)\CCC=C(C)C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO
462538	5.598	5	5.298826183	7.737078799	NotRecorded	1	5	2.438252616	CCC(C)C(=O)O[C@H]1[C@H](OC(=O)\C=C\c2ccccc2)C(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](CO)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)[C@@H](O)[C@@H](O)[C@@]13CO
462845	2.114375432	278	5.184187893	7.56065625	Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Matrix metalloproteinase-2, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	107	278	2.376468357	CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC
463351	5.888333333	6	5.237903119	5.70282442	NotRecorded	1	6	0.4649213	C[C@@H](C\C(=C/[C@H](C)[C@@H](O)[C@@H](C)\C=C/[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)\C)[C@@H](O)[C@H](C)[C@@H](OC(=O)N)[C@@H](C)\C=C/C=C
463488	4.922378216	5	3.752116431	6.141196429	NotRecorded	1	5	2.389079998	CO[C@@H]1CO[C@@H](OCC[C@@H](CC[C@@H](C)[C@H]2[C@@H](O)[C@@H](O)[C@@H]3[C@]2(C)CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@H](O)[C@@H]5[C@@H](O)C[C@@]34O)C(C)C)[C@H](O)[C@H]1O
463490	4.870136291	5	5.849352486	6.823258929	NotRecorded	1	5	0.973906443	CO[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OCC[C@H](CC[C@@H](C)[C@H]3C[C@@H](O)[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)C(C)C)[C@H](OC)[C@H]1O
463491	4.850031993	5	5.000469841	6.823258929	NotRecorded	1	5	1.822789087	CO[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OCC[C@@H](\C=C\[C@@H](C)[C@H]3C[C@@H](O)[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)C(C)C)[C@H](OC)[C@H]1O
464012	5.961428571	7	6.368721749	7.0219375	NotRecorded	1	7	0.653215751	CC[C@@]12CC(=C3Nc4c(OC)c(OC)c(O)cc4[C@@]35CCN([C@H]6[C@H](Oc7cc8NC9=C(C[C@]%10(CC)[C@@H]%11O[C@@H]%11CN%12CC[C@]9([C@H]%10%12)c8cc67)C(=O)OC)[C@H]1O)[C@@H]25)C(=O)OC
464287	4.287111077	11	5.749046598	7.635267857	NotRecorded	1	11	1.886221259	CN1C=C(C=CC1=O)C(=O)O[C@@H]2[C@H]3[C@H](OC(=O)C)[C@H](OC(=O)c4ccccc4)[C@]5(C)[C@@H](OC(=O)C)[C@H](C[C@](C)(O)[C@@]25OC3(C)C)OC(=O)c6ccccc6
464290	3.834869914	11	4.323370885	5.544789529	NotRecorded	1	11	1.221418644	CC(=O)O[C@H]1CC[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@H](OC(=O)C)[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3O
464339	6.4675	4	5.738378743	6.7970625	NotRecorded	1	4	1.058683757	C[C@H]1C\C=C\C(=C/C[C@H](OC(=O)C[C@H](O)C(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c2csc(C)n2)\C)\C
464340	6.075	4	4.385046026	7.45771875	NotRecorded	1	4	3.072672724	C[C@@H]1[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@@H](C\C=C(\C)/CCC1=O)\C(=C\c2csc(C)n2)\C
465015	4.582565006	8	4.486228314	6.015506836	NotRecorded	1	8	1.529278522	COc1cc(c2CC[C@H](Oc2c1O)c3cc(O)c(OC)c(OC)c3)c4cc(OC)c(O)c5O[C@@H](CCc45)c6cc(O)c(OC)c(OC)c6
465344	4.186929975	4	4.865392772	6.51340625	NotRecorded	1	4	1.648013478	C[C@H]1[C@H](C)c2ncccc2C(=O)OC[C@]3(C)O[C@]45C(OC(=O)C)C3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]4(COC(=O)C)[C@@H](OC(=O)c6ccccc6)[C@@H](OC(=O)C7=CN(C)C(=O)C=C7)C(OC1=O)[C@]5(C)O
465355	6.624455001	130	5.444662098	7.12409	Androgen Receptor, Geminin, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Paired box protein Pax-8, Rap guanine nucleotide exchange factor 4, Solute carrier organic anion transporter family member 1B3, Thyroid hormone receptor beta-1	11	130	1.679427902	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5
465400	4.828104449	7	3.639178321	8.375089286	NotRecorded	1	7	4.735910965	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]56C[C@H](O)C(=C5[C@@]3(O)C(=O)OC6(C)C)C
465785	5.92249368	4	4.742950707	6.039912946	NotRecorded	1	4	1.296962239	CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1C6=COC(=O)C=C6
467123	3.664813479	6	4.05102219	5.9909375	NotRecorded	1	6	1.93991531	C[C@H]([C@@H]1CC=C(C)C(=O)O1)[C@]2(O)CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)O[C@@H]6CC(=O)O[C@]56C[C@@]4(O)CC[C@]23C
467124	3.51851394	6	3.690744412	6.0064375	NotRecorded	1	6	2.315693088	C[C@H]([C@@H]1CC=C(C)C(=O)O1)[C@@H]2CC[C@]3(O)[C@@H]4CC[C@H]5C(C)(C)O[C@@H]6CC(=O)O[C@]56C[C@@]4(O)CC[C@]23C
467128	3.51851394	6	4.047737073	7.34659375	NotRecorded	1	6	3.298856677	C[C@H]([C@H](O)[C@@H]1C[C@H](C)C(=O)O1)C2=C3CC[C@]4(O)C[C@]56OC(=O)C[C@@]5(O)OC(C)(C)[C@@H]6CC[C@H]4[C@@]3(C)[C@H](C2)OC(=O)C
467129	3.51851394	6	5.073253688	8.42975	NotRecorded	1	6	3.356496312	C[C@H]([C@H](O)[C@H]1OC(=O)C(=C1)C)[C@]23CC[C@@]4(CO2)[C@@H]5CC[C@H]6C(C)(C)O[C@@H]7CC(=O)O[C@]67C[C@@]5(O)CC[C@]34C
467130	3.51851394	6	5.288817907	7.151638393	NotRecorded	1	6	1.862820486	CC1CC(OC1=O)[C@H]2O[C@]34CC[C@]5(O)C[C@]67OC(=O)C[C@H]6OC(C)(C)[C@@H]7C[C@@H](OC(=O)C)[C@H]5[C@@]3(C)[C@@H](O)C[C@@H]4[C@@H]2C
467131	3.51851394	6	5.288817907	6.537125	NotRecorded	1	6	1.248307093	CC1CC(OC1=O)[C@H]2O[C@]34CC[C@]5(O)C[C@]67OC(=O)C[C@H]6OC(C)(C)[C@@H]7C[C@@H](O)[C@H]5[C@@]3(C)[C@H](C[C@@H]4[C@@H]2C)OC(=O)C
467133	3.622998903	6	4.511797681	7.31996875	NotRecorded	1	6	2.808171069	C[C@H]([C@H]1CC=C(C)C(=O)O1)[C@H]2CC[C@@]3(C)CCC[C@H]4C(C)(C)O[C@@H]5CC(=O)O[C@]45CC(=O)[C@@H](C[C@]23C)OC(=O)C
467134	3.51851394	6	4.092471321	8.89834375	NotRecorded	1	6	4.805872429	C[C@@H]([C@@H](O)[C@@H]1OC(=O)C(=C1)C)[C@@H]2C[C@H]3O[C@]34[C@@H]5CC[C@@H]6C(C)(C)O[C@H]7CC(=O)O[C@@]67C[C@]5(O)CC[C@@]24C
476968	6.46	7	5.331324562	6.947767857	NotRecorded	1	7	1.616443295	COc1cc2c(CC[N+](=O)[O-])cc3c4cc5OCOc5cc4ncc3c2cc1OC
478078	5.018888889	9	5.00503131	7.224345139	NotRecorded	1	9	2.219313829	C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O
478082	7.005948878	6	3.805995057	7.274183036	NotRecorded	1	6	3.468187979	C[C@@H]1CC(=O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
478083	7.282650752	6	5.791899389	6.594864583	NotRecorded	1	6	0.802965194	C[C@@H]1C[C@H](OC(=O)C)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
478085	5.937374059	6	5.559387666	5.99828125	NotRecorded	1	6	0.438893584	C[C@@H]1C[C@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H]([C@@H](C[C@]56O)OC(=O)C)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
481209	4.51851394	7	2.968457714	6.667915179	NotRecorded	1	7	3.699457465	CC[C@@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C1=O
481224	6.487469426	4	5.552122122	6.113020536	NotRecorded	1	4	0.560898413	C\C=C/C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@]1(C)[C@]24CO4
481433	5.541880052	8	5.485613122	5.986839286	NotRecorded	1	8	0.501226163	CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@@H]4CCCN4C(=O)[C@@H](Cc5ccccc5)N(C)C(=O)[C@H](CC(C)C)NC1=O
482474	4.718164659	4	4.209287534	5.998316964	NotRecorded	1	4	1.78902943	CC(=O)O[C@H]1CC\C(=C/[C@@H]2OC(=O)[C@]3(C)O[C@@]23[C@@H](OC(=O)C)[C@H]4[C@@]5(C)O[C@H]5C[C@H](OC(=O)C)[C@]14C)\C
482632	4.845655152	4	4.086356918	6.24646875	NotRecorded	1	4	2.160111832	C[C@H]1[C@@H](O)C[C@H](OC(=O)C)[C@@]2(C)[C@H]1[C@]3(OC(=O)C)[C@@]2(O)[C@H](C\C(=C/[C@@H]4OC(=O)[C@@]5(C)O[C@]345)\C)OC(=O)C
482647	3.819543936	4	3.179800151	6.53915	NotRecorded	1	4	3.359349849	C[C@H]1[C@@H](OC(=O)C)[C@@H]2O[C@@H]2[C@@]3(C)[C@H]1[C@@]4(OC(=O)C)[C@]5(O)[C@@H](C)C(=O)O[C@H]5[C@@H](Cl)C(=C)[C@H]6O[C@H]6[C@@]34O
482648	4.349415536	4	4.359988339	6.9175625	NotRecorded	1	4	2.557574161	C[C@H]1[C@H](C[C@H](OC(=O)C)[C@@]2(C)[C@H]1[C@]3(O)[C@]2(CC\C(=C/[C@@H]4OC(=O)[C@@]5(C)O[C@]345)\C)OC(=O)C)OC(=O)C
482680	8.309795709	7	7.671839402	6.66546875	NotRecorded	1	7	-1.006370652	CO[C@H]1c2nc3C[C@@H]4CC[C@@H]5[C@H](CC(=O)[C@]67CO[C@@]8(OC(C)(C)C[C@H]8O)[C@@H](C)[C@H]6CC=C57)[C@@]4(C)Cc3nc2C[C@@H]9CC[C@@H]%10[C@H](C[C@@H](O)[C@@]%11(C)C%10=C[C@@H]%12O[C@]%13(O[C@](C)(CO)C[C@H]%13O)[C@@H](C)[C@]%11%12O)[C@@]19C
482681	7.966179289	7	7.372827076	6.66546875	NotRecorded	1	7	-0.707358326	CO[C@H]1c2nc3C[C@@H]4CC[C@@H]5[C@H](C[C@@H](O)[C@@]6(C)C5=C[C@@H]7O[C@]8(O[C@](C)(CO)C[C@H]8O)[C@@H](C)[C@]67O)[C@@]4(C)Cc3nc2C[C@@H]9CC[C@@H]%10[C@H](CC(=O)[C@]%11%12CO[C@@]%13(OC(C)(C)C[C@H]%13O)[C@@H](C)[C@H]%11CC=C%10%12)[C@@]19C
482717	6.012645591	22	5.591831868	8.331375	NotRecorded	1	22	2.739543132	COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)Cc4cc5OCOc5cc24
482802	7.615423953	6	3.96066247	6.877875	NotRecorded	1	6	2.91721253	COc1cccc(c1)[C@@H]2CC(=O)c3cc(ccc3N2)N4CCCC4
482822	6.2067463	7	5.630528976	6.518240644	NotRecorded	1	7	0.887711668	COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)c2c1.O[C@@H]5[C@@H](O)[C@@H](OP(=O)(O)[O-])[C@@H]6NC(=O)c7c(O)c8OCOc8cc7[C@H]6[C@H]5O
482823	6.077955953	7	5.535467311	6.227034953	NotRecorded	1	7	0.691567642	COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.O[C@@H]5[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]6NC(=O)c7c(O)c8OCOc8cc7[C@H]6[C@H]5O
482847	5.09386516	6	5.192724996	5.870357143	NotRecorded	1	6	0.677632147	CC1(C)CC[C@H](O)[C@]2(C)[C@@H]1C[C@@H](O)[C@@]34[C@H](O)[C@@H]([C@@H](O)C[C@@H]23)C(=C)C4=O
482924	5.865	4	5.584065132	7.78770526	NotRecorded	1	4	2.203640128	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)\C=C\C[C@@H]8C[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@H]%10CC[C@]9(C)[C@H]8O
482926	6.6	4	6.182133467	8.146886094	NotRecorded	1	4	1.964752627	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)CCC(=O)O[C@@H]8C[C@]9(C)[C@@H](O)CC[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@@H]8%10)C3=O)C5(C)C)C
483157	5.773143174	12	5.406685765	6.913262202	NotRecorded	1	12	1.506576437	C[C@H]1O[C@H](C[C@H](O)[C@H]1O)O[C@H]2CC[C@]3(C=O)[C@H]4[C@H](O)C[C@]5(C)[C@@H](CC[C@]5(O)[C@@H]4C=C[C@]3(O)C2)C6=CC(=O)OC6
483286	5.731915446	6	6.42628598	6.51340625	NotRecorded	1	6	0.08712027	C[C@@H]1[C@H](C)C(=O)O[C@H]2[C@H](OC(=O)C3=CN(C)C(=O)C=C3)[C@H](OC(=O)c4ccccc4)[C@@]5(COC(=O)C)[C@H](OC(=O)C)[C@@H](O)[C@@H]6[C@@H](OC(=O)C)[C@]5(O[C@@]6(C)COC(=O)c7cccnc17)[C@]2(C)O
483287	4.51851394	6	4.862397091	6.47553125	NotRecorded	1	6	1.613134159	C\C=C(/C)\C(=O)O[C@H]1[C@@H](OC(=O)C2=CN(C)C(=O)C=C2)[C@@H]3OC(=O)[C@@H](C)[C@@H](C)c4ncccc4C(=O)OC[C@]5(C)O[C@@]6([C@H](OC(=O)C)[C@H]5[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]16COC(=O)C)[C@]3(C)O
483849	7.258	5	5.023590359	7.061604464	NotRecorded	1	5	2.038014105	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3C(=O)OCC3=Cc4cc5OCOc5cc24
484812	6.813660686	5	6.321740478	7.643680215	NotRecorded	1	5	1.321939737	[Na+].CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)NCCCS(=O)(=O)[O-])[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
484813	6.682145222	5	6.564459411	6.955575893	NotRecorded	1	5	0.391116482	[Na+].CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)CCS(=O)(=O)[O-])[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
485356	7.138816162	4	4.550321054	7.178515625	NotRecorded	1	4	2.628194571	CC[C@](O)(CC(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O)C(C)C
485360	6.505977185	4	5.331509112	6.287140625	NotRecorded	1	4	0.955631513	CC(C)C(CC(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O)C(C)C
485362	6.126994196	4	3.678943464	6.384678125	NotRecorded	1	4	2.705734661	CCC(CC)(CO)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O
486004	8.1675	8	7.90081149	7.299357143	NotRecorded	1	8	-0.601454347	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6CCC6)C=C(C)C)C(=C1C5(C)C)C
486005	8.325	8	7.904618436	7.2784375	NotRecorded	1	8	-0.626180936	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6CCCC6)C=C(C)C)C(=C1C5(C)C)C
486006	7.8925	8	7.690830484	7.2784375	NotRecorded	1	8	-0.412392984	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)C6CCCC6)C(=C1C5(C)C)C
486007	8.38	8	7.356434673	6.8820625	NotRecorded	1	8	-0.474372173	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6CCCCC6)C=C(C)C)C(=C1C5(C)C)C
486008	8.0675	8	7.305262761	6.79515625	NotRecorded	1	8	-0.510106511	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)C6CCCCC6)C(=C1C5(C)C)C
486009	8.5975	8	7.776340658	7.4004375	NotRecorded	1	8	-0.375903158	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6=CCCC6)C=C(C)C)C(=C1C5(C)C)C
486010	8.705	8	7.356434673	7.273	NotRecorded	1	8	-0.083434673	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6=CCCCC6)C=C(C)C)C(=C1C5(C)C)C
486011	8.4675	8	7.814812052	5.97	NotRecorded	1	8	-1.844812052	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC6CCCC6)C=C(C)C)C(=C1C5(C)C)C
486012	8.3475	8	7.736541961	5.97	NotRecorded	1	8	-1.766541961	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC6CCCC6)C(=C1C5(C)C)C
486016	8.99	4	8.087267568	5.9754375	NotRecorded	1	4	-2.111830068	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C)C(=C1C5(C)C)C
486025	9.19	8	7.649609403	5.987107143	NotRecorded	1	8	-1.66250226	COc1ccc(CC(=O)O[C@H]2C(=O)[C@]3(C)[C@@H](O)C[C@H]4OC[C@@]4(OC(=O)C)[C@H]3[C@H](OC(=O)c5cccc(OC)c5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C)C(=C2C6(C)C)C)cc1
486027	8.655	4	8.388139835	5.909	NotRecorded	1	4	-2.479139835	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)\C=C\C)C(=C1C5(C)C)C
486028	8.5325	8	8.685227499	5.99128125	NotRecorded	1	8	-2.693946249	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CCC=C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C
486030	9.01	4	8.019949113	5.9754375	NotRecorded	1	4	-2.044511613	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C
486035	8.445	8	8.210717343	5.909	NotRecorded	1	8	-2.301717343	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6CCC6)C=C(C)C)C(=C1C5(C)C)C
486039	8.61	8	8.327586141	5.996357143	NotRecorded	1	8	-2.331228998	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)C6CC6)C(=C1C5(C)C)C
487592	4.625	8	4.052161737	6.44453125	NotRecorded	1	8	2.392369513	CC(=O)O[C@H]1[C@H](OC(=O)C)[C@@]23C[C@@H](C[C@H](O)[C@H]2[C@]4(C)[C@H](C[C@H](O)C(C)(C)[C@@H]14)OC(=O)C)C(=C)[C@H]3O
487696	4.625	8	4.684851999	6.514979353	NotRecorded	1	8	1.830127353	CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)[C@H](OC(=O)C)C2=C
487840	4.757289999	14	4.773700423	6.485242666	NotRecorded	1	14	1.711542243	CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@H](O)C2=C)[C@@H](OC(=O)C)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13
490427	5.836855371	285	4.940289591	6.0115	ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Ataxin-2, Bromodomain adjacent to zinc finger domain protein 2B, Cholinesterase, Geminin, Histone acetyltransferase GCN5, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Hypoxia-inducible factor 1 alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Lysosomal alpha-glucosidase, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, Niemann-Pick C1 protein, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 0 group B member 1, Prelamin-A/C, Ras-related protein Rab-9A	20	285	1.071210409	CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O
492384	5.585714286	7	5.753207097	5.107349702	NotRecorded	1	7	-0.645857394	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](c4cc5OCOc5cc24)n6cc(CNc7cccc(Cl)c7)nn6
493099	6.774603449	70	4.308864819	9.658875	Androgen Receptor, NotRecorded	2	70	5.350010181	COc1cc2c(CCN[C@]23CS[C@H]4[C@H]5[C@@H]6N(C)[C@@H](Cc7cc(C)c(OC)c(O)c67)[C@H](O)N5[C@@H](COC3=O)c8c9OCOc9c(C)c(OC(=O)C)c48)cc1O
494498	9.669505778	7	9.016520528	6.317502976	NotRecorded	1	7	-2.699017551	CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C
497687	7.144554803	12	7.02542378	7.650928571	NotRecorded	1	12	0.625504791	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CF)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
497688	8.084614985	10	7.157910577	7.650928571	NotRecorded	1	10	0.493017994	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C(F)F)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
497689	7.981284162	10	7.148549837	7.650928571	NotRecorded	1	10	0.502378735	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
497690	7.408977222	9	7.0333596	7.650928571	NotRecorded	1	9	0.617568972	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CF)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
497691	7.772646885	10	7.040030193	7.650928571	NotRecorded	1	10	0.610898378	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C(F)F)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
497692	8.366400228	8	7.647488344	6.0974375	NotRecorded	1	8	-1.550050844	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
498947	4.430109146	4	4.061440986	8.23188244	NotRecorded	1	4	4.170441454	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](N[C@@H](Cc4ccc(O)cc4)C(=O)OCCCN5C=C(F)C(=O)NC5=O)c6cc7OCOc7cc26
498949	5.6425	4	5.952563996	7.66965625	NotRecorded	1	4	1.717092254	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](N[C@@H](Cc4ccccc4)C(=O)OCCCCN5C=C(F)C(=O)NC5=O)c6cc7OCOc7cc26
498951	5.938	5	6.216595412	6.67053125	NotRecorded	1	5	0.453935838	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](N[C@@H](Cc4ccccc4)C(=O)OCCCCCN5C=C(F)C(=O)NC5=O)c6cc7OCOc7cc26
500038	3.874444444	9	6.416649853	7.512921024	Gamma-secretase, NotRecorded, Proteasome Macropain subunit MB1	3	9	1.096271171	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)B(O)O
502390	5.538463228	9	5.241254642	6.51340625	NotRecorded	1	9	1.272151608	CC1c2ccncc2C(=O)OC[C@]3(C)O[C@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]4(COC(=O)c6occc6)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C1(C)O)[C@]5(C)O
502406	5.207405576	10	6.109226047	6.51340625	NotRecorded	1	10	0.404180203	CC(=O)OC[C@]12[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]3[C@@H](OC(=O)C)[C@@]14O[C@@]3(C)COC(=O)c5cccnc5CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c6occc6)[C@@H]2OC(=O)C)[C@]4(C)O
502754	6.056632728	6	4.333399036	6.007134465	NotRecorded	1	6	1.673735429	CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6[C@@H](O)C[C@H](C)N6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](CO)OC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O
502755	6.290104007	6	4.659371011	6.57419528	NotRecorded	1	6	1.914824269	CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6[C@@H](O)C[C@H](C)N6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O
502773	6.026499598	7	6.133493973	9.363357143	NotRecorded	1	7	3.22986317	C[C@@H]1C[C@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](C[C@@H](O)[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
503192	6.1175	4	5.302818107	7.8430625	NotRecorded	1	4	2.540244393	COc1cc2c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3O)c5COC(=O)c5c(c6ccc7OCOc7c6)c2cc1OC
503195	6.3825	4	5.503941686	7.8608125	NotRecorded	1	4	2.356870814	COc1cc2c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)c5COC(=O)c5c(c6ccc7OCOc7c6)c2cc1OC
503270	5.142451121	5	4.583701389	6.247946429	NotRecorded	1	5	1.66424504	C[C@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](CO)[C@H](O)[C@H](O)[C@H]8O
503271	5.109153384	5	4.685571337	6.047080357	NotRecorded	1	5	1.361509021	C[C@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](CO)[C@H](O)[C@H](O)[C@H]8O
504138	4.593511174	4	4.253336447	6.239997768	NotRecorded	1	4	1.986661321	C[C@H]1C(=O)O[C@H]2\C=C(\C)/CC[C@@H](OC(=O)C)[C@@]3(C)[C@H](CC=C(C)[C@@H]3[C@@H](O)[C@]12O)OC(=O)C
504140	5.315772026	4	5.01375586	6.601294196	NotRecorded	1	4	1.587538336	CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](O)[C@]34O[C@]3(C)C(=O)O[C@H]4\C=C(\C)/CC[C@@H](OC(=O)C)[C@@]12C
504141	4.512044169	4	4.832240039	6.425299107	NotRecorded	1	4	1.593059068	CC(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]3[C@@H](O)[C@]45O[C@]4(C)C(=O)O[C@H]5\C=C(\C)/CC[C@@H](OC(=O)C)[C@@]13C
504155	4.56026268	4	3.979912534	5.998316964	NotRecorded	1	4	2.01840443	CC(=O)O[C@@H]1CC\C(=C/[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H](OC(=O)C)[C@H]4[C@@]5(C)O[C@H]5C[C@H](OC(=O)C)[C@]14C)\C
504612	6.197960407	4	5.93812012	9.363357143	NotRecorded	1	4	3.425237023	C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](C[C@@H](O)[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
504615	5.976418993	6	5.576441509	6.235895833	NotRecorded	1	6	0.659454324	C[C@@H]1C[C@H](OC(=O)C)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H]([C@H](O)C[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
505076	7.8925	4	7.283256562	6.42990625	NotRecorded	1	4	-0.853350312	CC[C@H](C)[C@@H]1NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)\C(=C\C[C@H](O)[C@H](C)[C@H](OC(=O)[C@H](C)NC1=O)\C(=C\C)\C)\C
505339	4.371470068	12	4.663289806	8.331375	NotRecorded	1	12	3.668085194	COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@@H](COC3=O)Cc4cc5OCOc5cc24
509913	5.113564593	4	7.594034686	6.8949375	NotRecorded	1	4	-0.699097186	CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)ccc45)[C@](O)([C@@H]2OC(=O)CCC(=O)N[C@H]6CCc7cc(OC)c(OC)c(OC)c7C8=CC=C(SC)C(=O)C=C68)C(=O)OC
517638	6.912857143	7	5.523968853	7.892284694	Heat shock protein HSP 90-alpha, NotRecorded	2	7	2.368315841	CO[C@H]1CC\C=C(/C)\C(=O)Nc2cccc(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(/C)\[C@@H]1OC(=O)N)c2
517639	6.535714286	7	5.065399022	6.291030612	Heat shock protein HSP 90-alpha, NotRecorded	2	7	1.22563159	CO[C@H]1C[C@H](C)Cc2cc(NC(=O)\C(=C\CC[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)ccc2O
517866	7.082857143	7	5.065399022	6.593556122	Heat shock protein HSP 90-alpha, NotRecorded	2	7	1.5281571	CO[C@H]1C[C@H](C)Cc2cc(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)ccc2O
520489	5.989411431	7	6.419630957	7.113991494	NotRecorded	1	7	0.694360536	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)Cc3cccc4ccccc34)C(C)C)B(O)O)cc1
522225	7.580909091	11	6.081437457	7.829690688	NotRecorded	1	11	1.748253231	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]2CCCc3ccccc23)B(O)O
522226	7.690909091	11	6.627783676	7.717069593	NotRecorded	1	11	1.089285917	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cccc3CCCCc23)B(O)O
525410	5.868358938	4	3.888106797	6.094649554	NotRecorded	1	4	2.206542757	CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC.OS(=O)(=O)O
529335	5.4510693	5	5.647349079	6.175561607	NotRecorded	1	5	0.528212528	COC(=O)C(=C(C)C)N1[C@H](SS[C@@H]2[C@H](NC(=O)OCc3ccccc3)C(=O)N2C(=C(C)C)C(=O)OC)[C@H](NC(=O)OCc4ccccc4)C1=O
545988	7.8	8	5.624898908	6.753830469	NotRecorded	1	8	1.12893156	Br.Br.CN(C)CCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccc(O)cc4C(=O)c1c23
548033	6.188135401	6	3.726687711	7.43690625	NotRecorded	1	6	3.710218539	Cl.CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)CC(C)C)c5ccccc5nc34)C2=O
552970	6.01	15	2	7.25	Tubulin	1	15	5.25	Cl.COc1cc2CCC(OC(=O)c3ccncc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC
553389	4.293174973	9	4.825669518	6.017792659	DNA topoisomerase II alpha, NotRecorded	2	9	1.192123141	Cl.N[C@H]1CCN(C1)c2c(F)cc3C(=O)C(=CN4c3c2Oc5cc(c6ccccc6c45)S(=O)(=O)O)C(=O)O
554449	7.346666667	6	8.742629625	5.909	NotRecorded	1	6	-2.833629625	COc1cccc(c1)C(=O)O[C@H]2[C@@H](\C(=C(\O)/C(=O)C3=C(C)[C@H](C[C@]2(O)C3(C)C)OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C
554541	5.897231982	40	3.841510418	5.044415692	NotRecorded	1	40	1.202905274	CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@]28CO8
554588	9.017142857	7	8.313321598	6.1669375	NotRecorded	1	7	-2.146384098	CN(C)C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
554589	8.927142857	7	8.12250881	6.389540179	NotRecorded	1	7	-1.732968632	COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
554590	8.922857143	7	8.609666329	6.389540179	NotRecorded	1	7	-2.22012615	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
554591	9.18	7	8.202368366	5.8385	NotRecorded	1	7	-2.363868366	COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
554593	8.86	4	9.057108333	5.909	NotRecorded	1	4	-3.148108333	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(F)F)C(=C([C@@H](OC(=O)C6CC6)C3=O)C5(C)C)C
554594	7.149562932	26	8.922222222	6.389540179	NotRecorded, Tubulin	2	26	-2.532682044	CN(C)C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(F)F)C(=C1C5(C)C)C
554916	5.282	5	5.407967826	6.197397321	NotRecorded	1	5	0.789429495	CNC(=O)OCc1c(COC(=O)NC)c(c2ccc(Cl)cc2)n3c1Cc4ccccc34
556325	9.237142857	7	8.551027526	5.988071429	NotRecorded	1	7	-2.562956097	CN(C)C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)N=[N+]=[N-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
556326	8.914285714	7	7.813420218	5.996357143	NotRecorded	1	7	-1.817063075	COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
556328	9.097142857	7	8.098764082	6.389540179	NotRecorded	1	7	-1.709223903	COc1cccc(c1)C(=O)O[C@H]2[C@H]3[C@@](C)([C@@H](O)C[C@H]4OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)N(C)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F
556760	5.88	9	5.072988787	6.598642857	NotRecorded	1	9	1.525654071	CO[C@]1(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O
556761	5.833333333	9	4.952360191	6.598642857	NotRecorded	1	9	1.646282667	CO[C@]1(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O
556835	4.522878745	4	5.121070935	7.094169643	NotRecorded	1	4	1.973098708	C[C@@]12CCC[C@](C)([C@H]1[C@H](O)[C@H](O)[C@@]34C[C@H](CC[C@@H]23)[C@@](CO)(C4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)O
557911	6.893333333	6	7.767424932	8.080125	NotRecorded	1	6	0.312700068	CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(F)c3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C
558044	9.327142857	7	8.978643442	5.988071429	NotRecorded	1	7	-2.990572014	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)N=[N+]=[N-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
558449	6.412857143	7	6.20682127	7.369893495	NotRecorded	1	7	1.163072225	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H]5O[C@@H]6O[C@H](CO)C[C@@H](O)[C@]6(O)O[C@@H]5C[C@]34C=O)[C@@]1(O)CC[C@@H]2C7=CC(=O)OC7
559808	8.867142857	7	8.885865258	6.389540179	NotRecorded	1	7	-2.496325079	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
559809	9.217142857	7	8.719658873	6.415897321	NotRecorded	1	7	-2.303761551	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)N=[N+]=[N-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
559810	8.951428571	7	9.19769076	6.389540179	NotRecorded	1	7	-2.808150581	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
559811	8.905714286	7	8.025127348	5.996357143	NotRecorded	1	7	-2.028770205	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
559812	9.024285714	7	9.050571353	6.389540179	NotRecorded	1	7	-2.661031174	COc1cccc(c1)C(=O)O[C@H]2[C@H]3[C@@](C)([C@@H](O)C[C@H]4OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F
559813	9.014285714	7	8.725081514	5.909	NotRecorded	1	7	-2.816081514	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
559815	6.893333333	6	7.703560657	8.080125	NotRecorded	1	6	0.376564343	CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(F)c3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@H]4CCO)OC(=O)C
559816	9.375	4	8.945983333	5.909	NotRecorded	1	4	-3.036983333	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(F)F)C(=C1C5(C)C)C
559817	7.00625	8	7.280522333	6.02196875	NotRecorded	1	8	-1.258553583	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)[C@H]6OCC\C=C\c7ccccc7C(=O)N[C@H]([C@@H](O)C(=O)O[C@@H]6C(=C1C5(C)C)C)c8ccccc8
559818	6.458333333	6	7.854742239	6.389540179	NotRecorded	1	6	-1.465202061	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)[C@H]6OC\C=C/OCc7ccccc7C(=O)N[C@H]([C@@H](O)C(=O)O[C@@H]6C(=C1C5(C)C)C)c8ccccc8
560078	5.898435407	1112	6.958918583	6.6526765	4′-phosphopantetheinyl transferase ffp, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cholinesterase, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Histone acetyltransferase GCN5, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Menin/Histone-lysine N-methyltransferase MLL, Monoamine oxidase A, Monoamine oxidase B, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, P-glycoprotein 1, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Putative fructose-1-6-bisphosphate aldolase, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thioredoxin reductase 1- cytoplasmic, Thromboxane-A synthase, Tubulin, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor, Vitamin D receptor	116	1112	-0.306242084	CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC
560409	2	6	3.625	7.581061012	NotRecorded	1	6	3.956061012	COC(=O)c1c2C(=O)[C@]3(O)C[C@@]4(O)N(C[C@H]3C)C[C@H]5CCc6occc1c6c2[C@@]45C
561507	7.226666667	6	7.443117099	7.624571429	NotRecorded	1	6	0.18145433	CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(Cl)c3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C
561508	7.315714286	7	7.376833632	7.624571429	NotRecorded	1	7	0.247737797	CC(=C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(Cl)c3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C)C
561647	9.095714286	7	6.903759275	6.1669375	NotRecorded	1	7	-0.736821775	COc1cccc(c1)C(=O)O[C@H]2[C@H]3[C@@](C)([C@@H](O)C[C@H]4OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F
561650	6.375	4	6.421623626	6.15034375	NotRecorded	1	4	-0.271279876	CC(=C[C@@H]1NC(=O)c2ccccc2C\C=C\CO[C@H]3[C@H](OC(=O)[C@@H]1O)C(=C4[C@@H](OC(=O)C)C(=O)[C@]5(C)[C@@H](O)C[C@H]6OC[C@@]6(OC(=O)C)[C@H]5[C@H](OC(=O)c7ccccc7)[C@@]3(O)C4(C)C)C)C
562071	5.74	7	5.48615374	8.474852679	NotRecorded	1	7	2.988698938	C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H]([C@H](O)C[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
562072	7.616666667	6	5.049539311	6.4100625	NotRecorded, Nuclear factor NF-kappa-B complex	2	6	1.360523189	C[C@@H]1CC2(NC(=O)CS2)[C@]3(O)O[C@@H]4C[C@@]5(CO)[C@@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C[C@H]4O[C@@H]3O1
562771	4.150514998	4	5.77405709	7.679679688	NotRecorded	1	4	1.905622597	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H]6NC(O)Oc7ccccc67)C(=C1C5(C)C)C
563331	9.075714286	7	7.89729083	6.1669375	NotRecorded	1	7	-1.73035333	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
563334	8.974285714	7	8.735197455	5.996357143	NotRecorded	1	7	-2.738840312	COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
563335	9.3325	4	8.651850464	6.1669375	NotRecorded	1	4	-2.484912964	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(F)F)C(=C1C5(C)C)C
563338	7.173333333	6	7.400747314	7.405742188	NotRecorded	1	6	0.004994874	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)[C@H]6OC\C=C\Cc7ccccc7C(=O)N[C@H]([C@@H](O)C(=O)O[C@@H]6C(=C1C5(C)C)C)c8ccccc8
563339	5.701666667	6	6.942724664	6.389540179	NotRecorded	1	6	-0.553184486	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)[C@H]6OC\C=C\OCc7ccccc7C(=O)N[C@H]([C@@H](O)C(=O)O[C@@H]6C(=C1C5(C)C)C)c8ccccc8
563394	5.15	4	4.299140525	6.406883929	NotRecorded	1	4	2.107743404	CC(C)CC(=O)OC(C(C)C)C(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@](O)(COC(=O)C(OC(=O)CC(C)C)C(C)C)[C@H](C[C@]12O)OC(=O)C
563880	4.7425	4	5.245058966	7.094169643	NotRecorded	1	4	1.849110676	C[C@@]12CCC[C@](C)([C@H]1[C@H](O)[C@H](O)[C@@]34C[C@H](CC[C@@H]23)[C@](O)(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4)C(=O)O
563980	2.378890833	6	2.175454104	6.634290179	NotRecorded	1	6	4.458836075	CO[C@@]12OC[C@]3(C)[C@](O)(CO)[C@@H](C[C@@]4([C@H](COC(=O)c5ccccc5)CC[C@]34O)[C@H]1O)O2
564219	6.232331596	65	6.600509046	6.482860159	Androgen Receptor, NotRecorded, Nuclear factor erythroid 2-related factor 2, Proto-oncogene c-JUN	4	65	-0.117648887	CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC.OC(C(O)C(=O)O)C(=O)O.OC(C(O)C(=O)O)C(=O)O
564975	7.311666667	6	8.576403226	5.93475	NotRecorded	1	6	-2.641653226	COc1cccc(c1)C(=O)O[C@H]2[C@@H](\C(=C(\O)/C(=O)C3=C(C)[C@H](C[C@]2(O)C3(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C
565076	5.118	5	5.53613547	6.3607375	NotRecorded	1	5	0.82460203	C\C=C(\C)/C(=O)O[C@H]1[C@H](OC(=O)\C(=C/C)\C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
565077	5.446	5	5.53613547	6.3607375	NotRecorded	1	5	0.82460203	C\C=C(\C)/C(=O)O[C@H]1[C@H](OC(=O)\C(=C/C)\C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
565103	9.165714286	7	8.34250129	5.988071429	NotRecorded	1	7	-2.354429862	COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)N=[N+]=[N-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
565104	8.88	7	9.103361905	5.8385	NotRecorded	1	7	-3.264861905	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
565128	5.665891541	5	5.34468303	7.497327679	NotRecorded	1	5	2.152644649	COC(=O)[C@]12OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)[C@H](OC(=O)CC(C)C)[C@@H]24
565639	5	5	5.192724996	5.870357143	NotRecorded	1	5	0.677632147	CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]34[C@H](O)[C@@H]([C@@H](O)C[C@@H]23)C(=C)C4=O
565691	4.685	4	5.102928404	7.094169643	NotRecorded	1	4	1.991241239	C[C@@]12CCC[C@](C)([C@H]1[C@H](O)[C@H](O)[C@@]34C[C@H](CC[C@@H]23)[C@](O)(CO)C4)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
566814	6.968333333	12	7.940498153	8.0746875	NotRecorded	1	12	0.134189347	CC(=C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(F)c3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C)C
566918	9.072857143	7	8.780010972	5.909	NotRecorded	1	7	-2.871010972	CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
566919	9.021428571	7	7.767659117	6.1669375	NotRecorded	1	7	-1.600721617	COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)N(C)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)OC(=O)C
566971	2.588965382	22	5.48356954	5.950193182	Heat shock protein HSP90, NotRecorded, Signal transducer and activator of transcription 3	3	22	0.466623642	CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
581304	5.830043092	19	7.834195972	6.111877973	NotRecorded, Tubulin	2	19	-1.722317998	COc1ccc(cc1N)C2CC2c3cc(OC)c(OC)c(OC)c3
581384	5.05625	16	6.564775215	6.190192969	NotRecorded	1	16	-0.374582246	COc1cc2CC[C@H](NC(=O)C(N)CCCCC(N)C(=O)N[C@H]3CCc4cc(OC)c(OC)c(OC)c4C5=CC=C(SC)C(=O)C=C35)C6=CC(=O)C(=CC=C6c2c(OC)c1OC)SC
581397	5.05625	16	6.243709453	6.27334375	NotRecorded	1	16	0.029634297	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)CCCCC(=O)O[C@@H]4[C@H]5COC(=O)[C@@H]5[C@H](c6cc(OC)c(OC)c(OC)c6)c7cc8OCOc8cc47)c9cc%10OCOc%10cc29
583741	5.380772497	4	5.289627004	6.221828571	NotRecorded	1	4	0.932201567	CC1(C)CN=C(S1)N2CCN(CC(O)COc3ccc(OCC(O)CN4CCN(CC4)C5=NCC(C)(C)S5)cc3)CC2
592064	5.868202322	9	6.265504519	7.440824	NotRecorded	1	9	1.175319481	C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1OC(=O)CSSCC(=O)O[C@H]3[C@@H](C)CCC[C@H]4O[C@H]4C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]3C)\C(=C\c5csc(C)n5)\C)\C(=C\c6csc(C)n6)\C
592067	5.626672027	9	6.295461234	7.205244942	NotRecorded	1	9	0.909783708	C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1OC(=O)CCCCC(=O)O[C@H]3[C@@H](C)CCC[C@H]4O[C@H]4C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]3C)\C(=C\c5csc(C)n5)\C)\C(=C\c6csc(C)n6)\C
592068	5.931841654	9	6.373583211	7.399945456	NotRecorded	1	9	1.026362245	C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1OC(=O)CCCCCCC(=O)O[C@H]3[C@@H](C)CCC[C@H]4O[C@H]4C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]3C)\C(=C\c5csc(C)n5)\C)\C(=C\c6csc(C)n6)\C
594195	4.874	5	4.68210253	5.945396429	NotRecorded	1	5	1.263293899	COc1cc(cc(OC)c1OC)c2noc(NC(=O)C)c2c3cc(OC)c(OC)c(OC)c3
594321	7.482562858	7	6.535978293	7.334490855	NotRecorded	1	7	0.798512562	CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)c5cnccn5)B(O)O
594323	7.931281429	7	6.780172068	7.624228673	NotRecorded	1	7	0.844056604	CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccccc3)NC(=O)c4cnccn4)B(O)O
594354	7.142710001	7	6.108236175	6.853531064	NotRecorded	1	7	0.74529489	CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)B(O)O
594356	7.679852858	7	6.370676916	7.380586478	NotRecorded	1	7	1.009909561	CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c4cnccn4)B(O)O
594407	8.066995715	7	6.798832201	7.953700116	NotRecorded	1	7	1.154867915	CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)c3cnccn3)B(O)O
594420	7.372710001	7	6.084832809	7.032829801	NotRecorded	1	7	0.947996992	CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c3cnccn3)B(O)O
594452	7.586995715	7	6.328120664	7.564409182	NotRecorded	1	7	1.236288519	CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c3cnccn3)B(O)O
596332	5.795833333	12	5.371238308	5.063473181	NotRecorded	1	12	-0.307765127	COc1ccc(cc1)C(CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2ccccc2
596505	6.2075	4	5.828736224	6.422248214	NotRecorded	1	4	0.59351199	CCCCNCC(=O)O[C@@H]1[C@]2(O[C@H]2[C@@H]3O[C@@]34[C@H]5CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]147)C(C)C
596574	3.8575	4	4.027829166	6.661688839	NotRecorded	1	4	2.633859674	CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@H]5CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@@H]2OC(=O)CNc8ccc(Cl)cc8
610501	4.159216792	11	6.134865867	7.533468344	NotRecorded, Solute carrier organic anion transporter family member 1B3	2	11	1.398602477	C[C@@H]1O[C@H](C[C@H](O)[C@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2
613266	4.776128415	8	5.204807372	6.995384301	Cyclooxygenase-1, Cyclooxygenase-2, NotRecorded	3	8	1.790576928	COc1cc(cc(OC)c1OC)[C@@H]2[C@H]3[C@@H](COC3=O)[C@H](OC(=O)CCC(=O)NCCCCNC(=O)[C@@H](C)c4cccc(c4)C(=O)c5ccccc5)c6cc7OCOc7cc26
613349	5.91963609	8	6.712757499	7.1904375	Cyclooxygenase-1, Cyclooxygenase-2, NotRecorded	3	8	0.477680001	COc1cc(cc(OC)c1OC)[C@@H]2[C@H]3[C@@H](COC3=O)[C@H](OC(=O)CCC(=O)NCc4ccc(NS(=O)(=O)c5cccc6c(cccc56)N(C)C)cc4)c7cc8OCOc8cc27
614959	5.078	5	6.687834398	7.85134375	NotRecorded	1	5	1.163509352	C[C@@H]([C@H]1CC=C(C)C(=O)O1)[C@]2(O)CC[C@]3(C)[C@@H](C[C@]4(O)C=C5C=CC(=O)OC(C)(C)[C@@H]5[C@@H](C[C@@H]34)OC(=O)C)C2=C
614961	5	5	5.651305325	7.71409375	NotRecorded	1	5	2.062788425	C[C@@H]([C@H]1CC=C(C)C(=O)O1)[C@]2(O)CC[C@]3(C)[C@@H](C[C@@]4(O)[C@H]3C[C@@H](OC(=O)C)[C@H]5C(C)(C)OC(=O)C=C[C@]56O[C@H]46)C2=C
615015	5.166	5	5.222999766	6.64729375	NotRecorded	1	5	1.424293984	C[C@@H]([C@H]1CC=C(C)C(=O)O1)C2=CC[C@]3(C)[C@@H](C[C@]4(O)C=C5C=CC(=O)OC(C)(C)[C@@H]5[C@H](O)C[C@@H]34)C2=C
615016	5	5	6.322885532	9.045625	NotRecorded	1	5	2.722739468	C[C@@H]([C@H]1CC=C(C)C(=O)O1)C2=CC[C@]3(C)[C@@H](C[C@@]4(O)[C@H]3C[C@@H](O)[C@H]5C(C)(C)OC(=O)C=C[C@]56O[C@H]46)C2=C
615017	5	5	4.819832403	7.42580625	NotRecorded	1	5	2.605973847	C[C@@H]([C@H]1CC=C(C)C(=O)O1)[C@]2(O)CC[C@]3(C)[C@@H](C[C@@]4(O)[C@H]3C[C@@H](O)[C@H]5C(C)(C)OC(=O)C=C[C@]56O[C@H]46)C2=C
615018	5.306	5	5.242249601	6.41345625	NotRecorded	1	5	1.171206649	C[C@@H]([C@H]1CC=C(C)C(=O)O1)C2=CC[C@]3(C)[C@@H](C[C@]4(O)C=C5C=CC(=O)OC(C)(C)[C@@H]5[C@@H](C[C@@H]34)OC(=O)C)C2=C
618411	4.736	5	6.534142997	6.29509375	NotRecorded	1	5	-0.239049247	CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(CCc4c3n(CC5=C[C@@]6(CCO)CC(=C7Nc8ccccc8[C@@]79CCN(C5)[C@@H]69)C(=O)OC)c%10ccc(OC)cc4%10)[C@@H]2O)C(=O)OC
618412	5.896	5	7.277624118	7.251136905	NotRecorded	1	5	-0.026487213	COC(=O)C1=C2Nc3ccccc3[C@@]24CCN5[C@H](O)[C@]6(C[C@@H]7C[C@]89CC(=O)C[C@H]8CCN%10CC[C@]%11([C@H]9%10)c%12cccc(OC)c%12N(C6)[C@@]7%11O)[C@@H]%13OCC[C@]%13(C1)[C@@H]45
626275	5	5	4.648565998	6.83065625	NotRecorded	1	5	2.182090252	CO[C@]12OC(=O)C(=C1C3=C4C(=C[C@H]5[C@@]6(C)[C@@H]7C[C@@H]7[C@@]8(O)COC(=O)\C(=C\COC(=O)CCC(=O)OCC9=C(C[C@H]68)[C@@]35OC9=O)\C)[C@H]%10C[C@H]%10[C@]4(C)[C@H]2O)C
626280	5	5	2.712371251	6.6839375	NotRecorded	1	5	3.971566249	C\C\1=C/COC(=O)CCC(=O)OCC2=C3C[C@H]4[C@](O)(COC1=O)[C@H]5C[C@H]5[C@]4(C)[C@@H]6C[C@]7(O)[C@H]8C[C@H]8[C@]9(C)C(=O)[C@@]%10(O)OC(=O)C(=C%10C(=C79)[C@]36OC2=O)C
626829	4.625324328	21	6.53974624	6.108785652	NotRecorded, Tubulin	2	21	-0.430960588	COc1cc(\C=C\c2ccc(OC)c(c2)B(O)O)cc(OC)c1OC
628818	5.312121724	57	6.782496959	5.824445712	NotRecorded, Tubulin	2	57	-0.958051248	COc1cc(\C=C/c2ccc(OC)c(c2)B(O)O)cc(OC)c1OC
641152	7.47	30	6.035530807	6.30201875	Sodium/potassium-transporting ATPase	1	30	0.266487943	CC12CCC(CC1CCC3C2CC[C@]4(C)C(CCC34O)C5=CC(=O)OC5)O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O
644485	4.774635337	4	5.698168971	7.170614063	NotRecorded	1	4	1.472445091	CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O
646494	7.1823252	4	6.109028157	6.49346875	NotRecorded	1	4	0.384440593	COC(=O)c1cccc(c1)C2=CN3[C@@H](C2)C=Nc4cc(OC)c(OC)cc4C3=O
646496	6.299483498	4	5.495581291	6.195510789	NotRecorded	1	4	0.699929498	COc1cc2N=C[C@@H]3CC(=CN3C(=O)c2cc1OC)c4cccc(c4)C(=O)NCCN(C)C
646743	7.296098432	4	5.2163421	5.50238365	NotRecorded	1	4	0.286041549	COc1cc2N=C[C@@H]3CC(=CN3C(=O)c2cc1OC)c4cc5ccccc5s4
647018	6.779263572	4	5.519438975	6.481212798	NotRecorded	1	4	0.961773823	COc1cc2N=C[C@@H]3CC(=CN3C(=O)c2cc1OC)c4ccc(cc4)C(=O)NCCN(C)C
647080	8.071212505	4	5.143527356	5.859578125	NotRecorded	1	4	0.716050769	[Na+].COc1cc2N[C@H]([C@@H]3CC(=CN3C(=O)c2cc1OC)c4ccc(F)cc4)S(=O)(=O)[O-]
647110	6.721840621	9	4.138670801	6.380378472	NotRecorded	1	9	2.241707672	C[C@H]1C[C@@H](C)\C=C(/C)\CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c4ccc(O)cc4
647835	6.595786408	6	6.031764083	6.115079861	NotRecorded	1	6	0.083315778	COc1ccc(cc1)c2cnnn2[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5
649415	7.194522363	7	7.636550905	6.576375	NotRecorded	1	7	-1.060175905	C[C@@H]1C[C@H](O)[C@H](O)[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=COC(=O)C=C6)O1
649930	6.880815449	5	5.490166936	6.129198604	NotRecorded	1	5	0.639031668	COc1ccc2c(c1)C(=O)C=Cc3cc(OC)c(OC)c(OC)c23
650133	6.880161142	12	5.49893254	6.713015625	NotRecorded	1	12	1.214083085	C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O
650135	5.520202288	13	5.959072642	7.22924217	NotRecorded	1	13	1.270169528	C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O
650137	6.133753447	12	6.087215434	6.605733333	NotRecorded	1	12	0.518517899	C[C@@H]1O[C@H](O[C@H]2CC[C@]3([C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)C(=O)O)[C@H](O)[C@H](O)[C@H]1O
650141	5.558037315	12	5.09681136	6.463556771	NotRecorded	1	12	1.366745411	C[C@@H]1O[C@H](O[C@H]2CC[C@@H]3[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O
650143	7.115425654	12	5.481999863	5.888067708	NotRecorded	1	12	0.406067846	C[C@@H]1O[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O
650968	6.776117568	25	7.161043318	6.706391571	NotRecorded	1	25	-0.454651747	CO[C@@H]1[C@H](O)[C@H](O)[C@@H](C)O[C@@H]1O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6
650973	6.318645792	12	6.078109434	7.568892708	NotRecorded	1	12	1.490783274	C[C@@H]1O[C@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O
675699	7.637727383	20	5.941729654	7.23225	NotRecorded	1	20	1.290520346	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C
684363	5.0325	16	5.334719686	6.527143276	NotRecorded, Tubulin	2	16	1.192423589	COc1ccc(cc1)C(=O)ON=C2c3ccccc3C(=O)c4ccccc24
684428	5.0325	16	6.866523529	6.164957589	NotRecorded, Tubulin	2	16	-0.70156594	COc1ccc(cc1)S(=O)(=O)ON=C2c3ccccc3C(=O)c4ccccc24
684492	6.008125	16	6.493660757	6.116261819	NotRecorded, Tubulin	2	16	-0.377398937	COc1ccc(CON=C2c3ccccc3C(=O)c4ccccc24)cc1
686036	2.631777565	374	2.268219972	6.174150676	Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiomotin, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Proteinase-activated receptor 2, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Serum amyloid P-component, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	110	374	3.905930703	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)\[C@H](C)[C@@H](O)[C@]1(C)O
686967	4.516764005	5	4.337498093	7.921860119	NotRecorded	1	5	3.584362026	CC(=O)O[C@H]1C[C@@H](OC(=O)C)[C@@]2(C)CO[C@H]3[C@@H](O)[C@]4(C)[C@H](CC[C@@]5(C)[C@@H](OC(=O)[C@@H]6O[C@]456)c7cocc7)[C@]1(C)[C@H]23
690744	7.484	5	8.304053012	7.034950893	NotRecorded	1	5	-1.269102119	COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@H](O)CO[C@@H](O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CC[C@@H](C)CO)[C@@H]3OC(=O)C
691200	6.955313301	4	5.507617549	8.054103795	NotRecorded	1	4	2.546486245	CC[C@@](C)(OC(=O)C)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O
699423	4.869865745	24	3.224644724	7.665865885	Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Inhibitor of apoptosis protein 3, Lysine-specific demethylase 4D-like, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Prelamin-A/C, Streptokinase A	8	24	4.441221161	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O
699607	4.970782725	4	4.557137341	4.706359747	NotRecorded	1	4	0.149222406	Cc1ccc(Nc2nc(N\N=C\c3cc4OCOc4cc3Br)nc(Nc5ccc(cc5)[N+](=O)[O-])n2)cc1C
700105	4.449038238	7	3.433962449	6.1669375	NotRecorded	1	7	2.732975051	CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(=C\[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)\C.OC(C(O)C(=O)O)C(=O)O
704779	5.126912251	12	4.273444897	7.72553125	NotRecorded	1	12	3.452086353	CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O[C@@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C
705179	5.94	4	6.28504203	7.079087997	NotRecorded	1	4	0.794045967	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)Cc3ccc4ccccc4c3)C(C)C)B(O)O)cc1
705180	6.4025	4	6.469588876	7.267630827	NotRecorded	1	4	0.798041951	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)Cc3cccc(Oc4ccccc4)c3)C(C)C)B(O)O)cc1
705181	6.145	4	6.805599683	7.528310547	NotRecorded	1	4	0.722710864	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3nccc4ccccc34)C(C)C)B(O)O)cc1
705182	6.0675	4	6.08785109	6.502220809	NotRecorded	1	4	0.41436972	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc4ccccc4cn3)C(C)C)B(O)O)cc1
705183	5.451470004	4	6.616745189	7.456798655	NotRecorded	1	4	0.840053467	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc4cnccc4c3)C(C)C)B(O)O)cc1
705184	6.0525	4	6.463429548	6.528056362	NotRecorded	1	4	0.064626814	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)Cc3ccc4ccccc4n3)C(C)C)B(O)O)cc1
705185	6.0025	4	6.711219749	7.528310547	NotRecorded	1	4	0.817090798	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cnc4ccccc4c3)C(C)C)B(O)O)cc1
705186	6.0775	4	6.70982743	6.6149375	NotRecorded	1	4	-0.09488993	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccnc4ccccc34)C(C)C)B(O)O)cc1
705187	5.955	4	6.517406914	7.191804688	NotRecorded	1	4	0.674397773	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc4cccnc34)C(C)C)B(O)O)cc1
705188	5.8975	4	7.002765756	7.52144308	NotRecorded	1	4	0.518677324	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cnccn3)C(C)C)B(O)O)cc1
705189	5.8925	4	7.061404474	7.52144308	NotRecorded	1	4	0.460038606	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccccn3)C(C)C)B(O)O)cc1
705190	5.288970004	4	6.89039818	7.52144308	NotRecorded	1	4	0.6310449	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccnc3)C(C)C)B(O)O)cc1
705191	5.123970004	4	6.604924805	7.145983243	NotRecorded	1	4	0.541058437	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccncc3)C(C)C)B(O)O)cc1
705192	6.004485002	4	7.033213632	7.576382813	NotRecorded	1	4	0.54316918	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3C)C(C)C)B(O)O)cc1
705193	5.98	4	7.041166978	7.52144308	NotRecorded	1	4	0.480276103	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(C)ccn3)C(C)C)B(O)O)cc1
705194	6.035	4	6.770720313	7.136864955	NotRecorded	1	4	0.366144642	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(C)cn3)C(C)C)B(O)O)cc1
705195	6.05	4	7.033213632	7.191804688	NotRecorded	1	4	0.158591055	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(C)n3)C(C)C)B(O)O)cc1
705196	6.095	4	6.860434837	7.900024152	NotRecorded	1	4	1.039589315	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3F)C(C)C)B(O)O)cc1
705197	6.045	4	6.762766968	7.191804688	NotRecorded	1	4	0.42903772	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(F)cn3)C(C)C)B(O)O)cc1
705198	6.0125	4	7.041166978	7.52144308	NotRecorded	1	4	0.480276103	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(F)n3)C(C)C)B(O)O)cc1
705199	6.1225	4	6.37221147	7.954963885	NotRecorded	1	4	1.582752414	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3Cl)C(C)C)B(O)O)cc1
705200	5.9925	4	6.576045632	7.191804688	NotRecorded	1	4	0.615759055	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(Cl)ccn3)C(C)C)B(O)O)cc1
705201	6.0275	4	6.24696025	6.807226563	NotRecorded	1	4	0.560266313	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(Cl)cn3)C(C)C)B(O)O)cc1
705202	6.045	4	6.520142683	7.473370815	NotRecorded	1	4	0.953228131	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(Cl)n3)C(C)C)B(O)O)cc1
705203	6.1525	4	6.762766968	7.143732422	NotRecorded	1	4	0.380965454	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3nc(Cl)ccc3Cl)C(C)C)B(O)O)cc1
705204	6.1425	4	6.974574914	7.191804688	NotRecorded	1	4	0.217229773	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3Br)C(C)C)B(O)O)cc1
705205	5.9925	4	6.517406914	6.807226563	NotRecorded	1	4	0.289819648	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(Br)ccn3)C(C)C)B(O)O)cc1
705206	5.96	4	6.576045632	7.191804688	NotRecorded	1	4	0.615759055	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(Br)cn3)C(C)C)B(O)O)cc1
705207	5.955	4	6.576045632	7.191804688	NotRecorded	1	4	0.615759055	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(Br)n3)C(C)C)B(O)O)cc1
705208	5.85	4	6.854445642	7.52144308	NotRecorded	1	4	0.666997438	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(ccn3)C(F)(F)F)C(C)C)B(O)O)cc1
705209	5.89	4	6.854445642	7.52144308	NotRecorded	1	4	0.666997438	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(cn3)C(F)(F)F)C(C)C)B(O)O)cc1
705210	5.656985002	4	6.802710058	7.52144308	NotRecorded	1	4	0.718733022	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3O)C(C)C)B(O)O)cc1
705211	5.611985002	4	6.328490917	7.40872639	NotRecorded	1	4	1.080235473	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(O)n3)C(C)C)B(O)O)cc1
705212	5.845	4	6.91308436	7.52144308	NotRecorded	1	4	0.60835872	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3OC)C(C)C)B(O)O)cc1
705213	6.1125	4	6.70412825	7.191804688	NotRecorded	1	4	0.487676438	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(OC)ccn3)C(C)C)B(O)O)cc1
705214	6.1125	4	6.762766968	7.191804688	NotRecorded	1	4	0.42903772	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(OC)cn3)C(C)C)B(O)O)cc1
705215	5.915	4	6.905131015	7.576382813	NotRecorded	1	4	0.671251798	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(OC)n3)C(C)C)B(O)O)cc1
705216	5.8075	4	6.854445642	7.52144308	NotRecorded	1	4	0.666997438	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(ccn3)[N+](=O)[O-])C(C)C)B(O)O)cc1
705217	5.955	4	6.583998978	7.136864955	NotRecorded	1	4	0.552865978	COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(ccn3)N(C)C)C(C)C)B(O)O)cc1
707050	5.769485002	4	7.061404474	7.52144308	NotRecorded	1	4	0.460038606	COc1ccc(C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccccn3)B(O)O)cc1
707168	5.748970004	4	6.91308436	7.52144308	NotRecorded	1	4	0.60835872	COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccccn3)B(O)O)cc1
711390	5.261428571	7	2.962406996	4.506908036	NotRecorded	1	7	1.54450104	Oc1cc(cc(O)c1O)C(=O)c2c[nH]c(n2)c3ccc(Cl)cc3
715383	5.561469567	14	5.524923676	6.221658163	NotRecorded	1	14	0.696734487	COC(=O)CC[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccc(O)c(Oc4ccc(C[C@H](N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc5ccc(OC)cc5)N(C)C1=O)C(=O)N2C)cc4)c3
715389	6.186428571	14	6.000569049	7.879375	NotRecorded	1	14	1.878805951	COc1ccc(C[C@@H]2N(C)C(=O)[C@H](CO)NC(=O)[C@@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@H](N(C)C(=O)[C@H](C)NC2=O)C(=O)N3C)cc5)c4)cc1
715390	5.4	14	5.056780474	5.009470663	NotRecorded	1	14	-0.047309811	COc1ccc(C[C@@H]2N(C)C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@H](N(C)C(=O)[C@H](C)NC2=O)C(=O)N3C)cc5)c4)cc1
728194	4.497036587	6	3.954546166	7.34669494	Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, NotRecorded	5	6	3.392148774	COC(=O)[C@H](CO)n1cc(nn1)c2cc(cc(c2)c3cn(nn3)[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)C(=O)N6CCN(CC6)C(=O)OC(C)(C)C
728937	4.870159093	5	4.382992112	7.371620536	ATPase family AAA domain-containing protein 5, Nonstructural protein 1, NotRecorded, Thioredoxin glutathione reductase	4	5	2.988628423	CCC(=O)O[C@@H]1CC(=O)O[C@H](C)CC=CC=C[C@@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@H]1OC
731215	4.807243214	5	3.610252758	7.265825	Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded	5	5	3.655572242	Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCO)nn4)n5cc(CCCCN)nn5
732169	4.526031393	7	4.672685524	6.911732143	Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Thioredoxin glutathione reductase	6	7	2.239046619	Cl.C[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4ccc(O)cc4)n5cc(CCO)nn5)n6cc(CCCN=C(N)N)nn6
734966	5.007791698	16	3.834703718	8.47596875	ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Serine/threonine-protein kinase PLK1	7	16	4.641265032	Cl.N[C@@H](Cc1ccc(O)cc1)c2cn(nn2)[C@@H](Cc3cc4ccccc4[nH]3)C(=O)N5CCN(CC5)c6nc(NCCOCCOCCOCC#C)nc(n6)N7CCOCC7
736712	4.761590876	13	4.191933783	6.218098558	Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Geminin, Lethal(3)malignant brain tumor-like protein 1, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic	8	13	2.026164775	Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc2ccc(O)cc2)C(=O)N3CCN(CC3)c4nc(NCCOCCOCCOCC#C)nc(n4)N5CCN(CC5)C(=O)[C@H](CCC(=O)O)n6cc(nn6)C(N)CO
737918	4.933552153	8	4.387239353	7.35528125	Beta-lactamase AmpC, DNA polymerase iota, Geminin, NotRecorded, Parathyroid hormone receptor, Thioredoxin reductase 1- cytoplasmic	6	8	2.968041897	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCCN)nn4)n5cc(CCCCN)nn5
738815	5.566910448	32	5.050081642	7.071	4′-phosphopantetheinyl transferase ffp, ATPase family AAA domain-containing protein 5, Ferritin light chain, Geminin, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Niemann-Pick C1 protein, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Parathyroid hormone receptor	12	32	2.020918358	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C
739207	4.799999917	19	4.938987489	6.202488957	Anthrax lethal factor, Arachidonate 15-lipoxygenase, Arachidonate 15-lipoxygenase- type II, Cellular tumor antigen p53, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Hypoxia-inducible factor 1 alpha, MAP kinase ERK2, Thrombopoietin, Thyroid stimulating hormone receptor	13	19	1.263501468	CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
739314	4.762536596	9	3.305795176	8.257145833	Cytochrome P450 3A4, Histone acetyltransferase GCN5, NotRecorded, Nuclear receptor ROR-gamma, Peripheral myelin protein 22, Prelamin-A/C, Tyrosyl-DNA phosphodiesterase 1	7	9	4.951350657	CCC1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@@H](O[C@@H]3OC(C)CC(C3O)N(C)C)[C@@](C)(O)CC(C)C(=O)[C@@H](C)C(O)[C@]1(C)O
742320	4.812950049	7	4.542275177	6.44028125	Guanine nucleotide-binding protein G(s)- subunit alpha, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1, Vitamin D receptor	4	7	1.898006073	CC1CC2OC3CC(O)C(O[C@@]3(C)CC2OC4CC[C@@]5(C)O[C@@]6(C)CC7O[C@H]8CC9O[C@@]%10(C)C(O)CC(CC(=C)C=O)OC%10CC9OC8\C=C/C[C@@]7(C)OC6CC5OC14)\C(=C/CO)\C
742651	6.003898039	7	3.162710907	7.160308929	ATPase family AAA domain-containing protein 5, DNA polymerase iota, Geminin, NotRecorded	4	7	3.997598022	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCCCN)nn5
742745	5.021149474	33	2.98852748	6.6748125	Ataxin-2, Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, NotRecorded, Nuclear factor erythroid 2-related factor 2, Rap guanine nucleotide exchange factor 3	8	33	3.68628502	CCC(C)N1CCC2(CC1)N=C3C4=C(O)c5c(O)c(C)c6O[C@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N4)C(=O)c6c5C3=N2
742783	4.821590209	8	5.109386655	5.865165179	Ataxin-2, Chromobox protein homolog 1, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Muscleblind-like protein 1, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1	7	8	0.755778523	NC(=O)CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)c3cc(cc(I)c3NCCCC[C@H](NC1=O)C(=O)NC(CC(=O)O)C(=O)N)[N+](=O)[O-]
747503	4.209518448	37	2.874513549	7.947477679	15-hydroxyprostaglandin dehydrogenase [NAD+], ATP-dependent DNA helicase Q1, Alpha-galactosidase A, Arachidonate 12-lipoxygenase, Bloom syndrome protein, Cellular tumor antigen p53, Cruzipain, Cytochrome P450 3A4, DNA polymerase kappa, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Ferritin light chain, Histone acetyltransferase GCN5, Luciferin 4-monooxygenase, MAP kinase ERK2, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, NotRecorded, Nuclear receptor ROR-gamma, Putative fructose-1-6-bisphosphate aldolase, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2, Vitamin D receptor	22	37	5.07296413	CCCCCCCCCCCCOS(=O)(=O)O.CCC1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@@H](OC3OC(C)CC([C@H]3OC(=O)CC)N(C)C)[C@@](C)(O)CC(C)C(=O)[C@@H](C)C(O)[C@]1(C)O
748541	4.738013234	21	3.464821942	6.230042857	ATPase family AAA domain-containing protein 5, Ataxin-2, Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, Mothers against decapentaplegic homolog 3, NotRecorded, Ubiquitin-conjugating enzyme E2 N	10	21	2.765220915	CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCOCC3)n4cc(CCCCCN)nn4
748696	5.618109163	12	3.623132563	7.398125	Cellular tumor antigen p53, Cruzipain, DNA-(apurinic or apyrimidinic site) lyase, NotRecorded, Nuclear receptor ROR-gamma, Survival motor neuron protein, Ubiquitin carboxyl-terminal hydrolase 2	7	12	3.774992437	CC1O[C@H](CC(O)[C@H]1O)O[C@@H]2C(O)C[C@H](O[C@@H]3C(O)C[C@@H](OC4CC[C@]5(C)[C@H](CCC6C5CC[C@]7(C)C(CC[C@@]67O)C8=CC(=O)OC8)C4)OC3C)OC2C
749899	3.448582971	11	3.659093184	7.371620536	Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2	8	11	3.712527352	CO[C@@H]1[C@@H](CC(=O)O[C@H](C)C\C=C/C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@H]2O[C@@H](C)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H]([C@@H]2O)N(C)C)OC(=O)C
751508	4.380608552	15	3.44494382	7.0971875	Cytochrome P450 3A4, Ferritin light chain, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, MAP kinase ERK2, Microtubule-associated protein tau, NotRecorded, Peripheral myelin protein 22, Tyrosyl-DNA phosphodiesterase 1, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2, Vitamin D receptor	13	15	3.65224368	COC1\C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C\C(C)C(O)[C@@H](C)C(O)C(C)[C@@H](OC(=O)C)C1C)\C)c5c(nc6cc(C)ccn56)c4c3C2=O
759060	5.220628925	46	5.867449165	6.711036685	ATPase family AAA domain-containing protein 5, Aberrant vpr protein, Aldehyde dehydrogenase 1A1, Ataxin-2, Beta-2 adrenergic receptor, DNA dC->dU-editing enzyme APOBEC-3G, DNA damage-inducible transcript 3 protein, Eyes absent homolog 2, Geminin, Glucagon-like peptide 1 receptor, Isocitrate dehydrogenase [NADP] cytoplasmic, MAP kinase ERK2, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, Neuropeptide S receptor, Niemann-Pick C1 protein, NotRecorded, Nuclear factor erythroid 2-related factor 2, Parathyroid hormone receptor, Ras-related protein Rab-9A, TAR DNA-binding protein 43, Thioredoxin glutathione reductase, X-box-binding protein 1	23	46	0.843587519	C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)C(O)CC(CC(=C)C=O)OC%11CC%10OC9C%12OC%12C[C@@]8(C)OC7CC6OC15
762755	5.168714426	9	4.470300077	6.844557143	Beta-lactamase AmpC, DNA polymerase iota, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysosomal alpha-glucosidase, NotRecorded, TAR DNA-binding protein 43	7	9	2.374257066	Cl.CC(C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCO)nn5
763148	4.420000265	5	3.281531091	7.6811875	DNA polymerase beta, DNA polymerase iota, DNA polymerase kappa, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded	5	5	4.399656409	Cl.NCCCCc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCCCN)nn5)nn1
769388	5.077179919	10	4.527739033	6.65340625	Bromodomain adjacent to zinc finger domain protein 2B, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic	5	10	2.125667217	Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCC(=O)O)n5cc(nn5)C(N)CC(C)C
778811	5.243419439	27	4.355261374	7.212	ATPase family AAA domain-containing protein 5, Ataxin-2, Beta-lactamase AmpC, DNA polymerase eta, Ferritin light chain, Geminin, Glycoprotein hormones alpha chain, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear receptor ROR-gamma	12	27	2.856738626	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)Cc6ccccc6)c7ccccc7)C(=C1C5(C)C)C
778872	4.765327977	6	2.201367846	7.9366875	Glutaminase kidney isoform- mitochondrial, Lysine-specific demethylase 4D-like, NotRecorded, Prelamin-A/C	4	6	5.735319654	CCC1OC(=O)C[C@H](O)C(C)[C@@H](O[C@@H]2OC(C)C(O)C(C2O)N(C)C)C(CCN3CC(C)CC(C)C3)CC(C)C(=O)\C=C\C(=C/[C@@H]1COC4OC(C)C(O)C(OC)C4OC)\C
779294	4.118399171	5	5.011218361	6.626276786	4′-phosphopantetheinyl transferase ffp, Cytochrome P450 3A4, NotRecorded	3	5	1.615058424	CCC1OC(=O)C(C)C(=O)C(C)[C@@H](OC2OC(C)CC(C2O)N(C)C)C(C)(OC)C3(CCCn4cnc(c4)c5cccnc5)CC(C)C(=O)C(C)C6N(C3)C(=O)O[C@]16C
779847	4.174999959	18	4.508455521	6.73921875	Ataxin-2, Cellular tumor antigen p53, Cruzipain, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Ferritin light chain, Hypoxia-inducible factor 1 alpha, MAP kinase ERK2, NotRecorded, Prelamin-A/C, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2	15	18	2.230763229	CC[C@H](C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]3C[C@H](C\C=C(/C)\[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C6CO[C@@H]7[C@@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2
780664	4.077789609	17	4.151399279	5.8916875	Cellular tumor antigen p53, Cruzipain, Cytochrome P450 3A4, DNA polymerase kappa, DNA-(apurinic or apyrimidinic site) lyase, Ferritin light chain, Microtubule-associated protein tau, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2	10	17	1.740288221	COC1C(OC(=O)C(C)C)[C@]2(C)C(OC(=O)\C(=C(/OC)\C(C)C)\C2[C@@]34OC5(C)OC67CC(C)(C(CC(=O)OC)[C@]6(C)[C@@]13O5)C(OC(=O)C)[C@@]7(OC)C4OC)c8cocc8
781253	5.780203546	8	4.975393416	6.878028125	Cellular tumor antigen p53, Cruzipain, Geminin, NotRecorded, Prelamin-A/C, Survival motor neuron protein	6	8	1.902634709	C[C@H]1O[C@H](CC(OC(=O)C)[C@@H]1O[C@H]2OC(CO)C(O)C(O)C2O)O[C@@H]3C(O)C[C@H](O[C@@H]4C(O)C[C@@H](OC5CC[C@]6(C)C(CCC7C6CC(O)[C@@]8(C)C(CC[C@@]78O)C9=CC(=O)OC9)C5)OC4C)OC3C
781504	5.641010294	32	4.308553378	7.212	ATPase family AAA domain-containing protein 5, Ataxin-2, Beta-lactamase AmpC, Ferritin light chain, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Lysine-specific demethylase 4A, NotRecorded, Nuclear receptor ROR-gamma, Putative fructose-1-6-bisphosphate aldolase, Ras-related protein Rab-9A	12	32	2.903446622	CC\C=C\CC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
781819	4.885265262	12	3.793533231	8.50540625	ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, NotRecorded, Nuclear factor erythroid 2-related factor 2, Thioredoxin glutathione reductase	6	12	4.711873019	C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCOCC3)n4cc(C)nn4
782728	5.216916057	7	3.826988751	6.870971429	ATPase family AAA domain-containing protein 5, Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Geminin, NotRecorded	5	7	3.043982678	Cl.CC(O)Cc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(CCC(=O)O)nn5
784504	6.286341629	16	5.537653214	5.965175223	ATPase family AAA domain-containing protein 5, Cellular tumor antigen p53, NotRecorded, Survival motor neuron protein	4	16	0.427522009	CC1O[C@@H](OC2CC[C@@]3(C=O)C4CC[C@]5(C)C(CC[C@@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)C(O)C(O)C1O
784828	4.734366068	24	4.6602995	6.0115	Anthrax lethal factor, Arachidonate 15-lipoxygenase, Arachidonate 15-lipoxygenase- type II, CREB-binding protein, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, NotRecorded, Regulator of G-protein signaling 4	13	24	1.3512005	CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](C(=O)OC)[C@@]8(CC)C=CCN9CC[C@]67[C@@H]89)C(=O)OC)C1
785589	5.115771167	25	5.010237955	7.409579446	15-hydroxyprostaglandin dehydrogenase [NAD+], ATP-dependent Clp protease proteolytic subunit, Aldehyde dehydrogenase 1A1, Glucagon-like peptide 1 receptor, Histone acetyltransferase GCN5, Lysine-specific demethylase 4D-like, Lysosomal alpha-glucosidase, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear factor erythroid 2-related factor 2, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Sphingomyelin phosphodiesterase, Thioredoxin reductase 1- cytoplasmic	13	25	2.399341491	Oc1nc2cc3OCOc3cc2cc1CN(Cc4ccc5OCOc5c4)Cc6nnnn6CC7CCCO7
786897	4.352940526	17	4.861521158	6.0115	Anthrax lethal factor, Arachidonate 15-lipoxygenase, Arachidonate 15-lipoxygenase- type II, Cellular tumor antigen p53, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Hypoxia-inducible factor 1 alpha, NotRecorded, Thrombopoietin	12	17	1.149978842	CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@@]8(CC)C=CCN9CC[C@]67[C@@H]89)C(=O)OC)C1
787194	5.032462194	21	5.473221342	6.076919643	ATPase family AAA domain-containing protein 5, Beta-lactamase AmpC, Cruzipain, Geminin, Histone-lysine N-methyltransferase MLL, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, NotRecorded, Nuclear receptor ROR-gamma, Prelamin-A/C	11	21	0.6036983	CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)\C(=C\[C@@H]4CC[C@@H](O)[C@@H](C4)OC)\C
789020	4.790464332	10	4.55844753	8.256727679	Aberrant vpr protein, DNA polymerase beta, DNA polymerase iota, Glycoprotein hormones alpha chain, Mothers against decapentaplegic homolog 3, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1	7	10	3.698280148	C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)C(O)CC(CC(=C)COC(=O)C)OC%11CC%10OC9\C=C/C[C@@]8(C)OC7CC6OC15
790206	5.797984568	13	4.718066301	5.897059079	15-hydroxyprostaglandin dehydrogenase [NAD+], Aldehyde dehydrogenase 1A1, Arachidonate 15-lipoxygenase- type II, Cruzipain, DNA polymerase kappa, Histone acetyltransferase GCN5, NotRecorded, Nuclear receptor ROR-gamma, Thyroid hormone receptor beta-1, Vitamin D receptor	10	13	1.178992778	CC\C(=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)\C=C
790450	4.92176034	14	2.932335197	7.55221875	4′-phosphopantetheinyl transferase ffp, Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear receptor ROR-gamma, Survival motor neuron protein	9	14	4.619883553	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCC(=O)O)nn4)n5cc(CCCCN)nn5
796487	4.731250052	8	4.234213493	7.504	ATP-dependent DNA helicase Q1, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysosomal alpha-glucosidase, Thioredoxin glutathione reductase	6	8	3.269786507	OCCc1cn(nn1)[C@@H](Cc2ccc(O)cc2)C(=O)N3CCN(CC3)c4nc(NCCOCCOCCOCC#C)nc(n4)N5CCN(CC5)C(=O)[C@H](Cc6ccc(O)cc6)n7cc(CCO)nn7
803006	4.049793196	13	3.376722452	7.9445	Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Histone-lysine N-methyltransferase MLL, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, NotRecorded	6	13	4.567777548	Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(CCCC)nn5
803648	4.939304983	8	3.738061063	8.10903125	DNA-(apurinic or apyrimidinic site) lyase, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded	3	8	4.370970187	Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc2ccc(O)cc2)C(=O)N3CCN(CC3)c4nc(NCCOCCOCCOCC#C)nc(n4)N5CCOCC5
804994	4.185714306	7	2.858400935	7.6811875	Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, Lysosomal alpha-glucosidase	5	7	4.822786565	Cl.CC(O)Cc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCCCN)nn5)nn1
806335	4.961404622	12	4.722375197	7.4363125	Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear factor erythroid 2-related factor 2	4	12	2.713937303	Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N4CCN(CC4)c5nc(NCCOCCOCCOCC#C)nc(n5)N6CCOCC6
813406	4.774084337	13	4.195510264	5.872357143	Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Eyes absent homolog 2, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded	6	13	1.676846879	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)C(C)CC)n5cc(nn5)[C@@H](N)CC(C)C
817201	4.898383197	11	3.358210295	7.375039773	Aldehyde dehydrogenase 1A1, Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, MAP kinase ERK2, Muscleblind-like protein 1, NotRecorded, Survival motor neuron protein, Thioredoxin glutathione reductase	10	11	4.016829478	CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)N)NC(=O)c3cc(cc(I)c3NCC[C@H](NC1=O)C(=O)N)[N+](=O)[O-]
817806	4.900931259	9	4.103047876	6.828443056	ATPase family AAA domain-containing protein 5, Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Geminin, NotRecorded, Thioredoxin glutathione reductase	7	9	2.725395179	Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(CCC(=O)O)nn4)n5cc(CCCCN)nn5
817945	5.090349624	8	4.649047309	7.212	Cruzipain, NotRecorded, Nuclear receptor ROR-gamma, Tyrosyl-DNA phosphodiesterase 1, Ubiquitin carboxyl-terminal hydrolase 2	5	8	2.562952691	CC(=O)OC1C(=O)[C@@]2(C)C(O)CC3OC[C@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
819012	4.802869616	18	4.44865598	5.924331944	78 kDa glucose-regulated protein, Cellular tumor antigen p53, Geminin, Huntingtin, MAP kinase ERK2, NotRecorded, Nuclear receptor ROR-gamma, Peripheral myelin protein 22, Prelamin-A/C, Survival motor neuron protein, Ubiquitin carboxyl-terminal hydrolase 2	11	18	1.475675965	CC1CC[C@]2(NC1)OC3C4CCC5CC(CC[C@@]5(C)C4CC[C@]3(C)C2C)O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7OC(CO)[C@H](O)[C@@H](OC8OCC(O)[C@@H](O)[C@@H]8O[C@H]9OC(CO)C(O)C(O)C9O)C7O)C(O)C6O
821546	5.65578647	19	4.008206209	5.996357143	Ataxin-2, Ferritin light chain, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Isocitrate dehydrogenase [NADP] cytoplasmic, Nonstructural protein 1, NotRecorded, Nuclear receptor ROR-gamma	8	19	1.988150934	C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
822257	4.904777518	43	2.764544436	6.273697141	6-phospho-1-fructokinase, Alpha-synuclein, Bloom syndrome protein, DNA polymerase iota, DNA polymerase kappa, Eyes absent homolog 2, Flap endonuclease 1, Glutaminase kidney isoform- mitochondrial, Histone acetyltransferase GCN5, Histone-lysine N-methyltransferase MLL, Huntingtin, Luciferin 4-monooxygenase, Menin/Histone-lysine N-methyltransferase MLL, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear receptor ROR-gamma, Peripheral myelin protein 22, Thioredoxin reductase 1- cytoplasmic, Ubiquitin carboxyl-terminal hydrolase 1	19	43	3.509152706	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
832242	5.20116127	8	4.504068843	6.60215625	Aldehyde dehydrogenase 1A1, Geminin, NotRecorded, TAR DNA-binding protein 43, Thyrotropin-releasing hormone receptor	5	8	2.098087407	C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)C(O)CC(CC(=C)C(=O)O)OC%11CC%10OC9\C=C/C[C@@]8(C)OC7CC6OC15
835906	4.607424326	17	3.698566988	7.032391544	4′-phosphopantetheinyl transferase ffp, Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, Lysine-specific demethylase 4D-like, MAP kinase ERK2, Muscleblind-like protein 1, Nonstructural protein 1, NotRecorded	13	17	3.333824557	Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4ccc(O)cc4)n5cc(CCO)nn5)n6cc(CCCCN)nn6
838085	5.365855744	10	2.157327656	6.877879063	Ataxin-2, Geminin, Lysine-specific demethylase 4A, NotRecorded, Prelamin-A/C	5	10	4.720551406	COC(=O)[C@@H]1C[C@@]23[C@@H](N(C)c4ccc(OC)cc24)C(=C(N=C3N1C(=O)COCc5ccccc5)C(=O)OC)C(=O)OC
840249	4.918585357	11	4.025130864	6.105633523	Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Thioredoxin glutathione reductase	5	11	2.080502658	Cl.CC[C@H](C)C(C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCC(=O)O)n4cc(nn4)C(N)Cc5ccc(O)cc5)n6cc(nn6)C(N)CO
843152	5.309040043	7	4.511075154	7.5528125	ATP-dependent DNA helicase Q1, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, NotRecorded, Thioredoxin glutathione reductase	6	7	3.041737346	COC(=O)[C@H](CO)n1cc(nn1)c2cc(cc(c2)c3cn(nn3)[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C
848529	4.143837893	11	3.332235651	7.154749188	Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, Lysine-specific demethylase 4D-like, Nonstructural protein 1, NotRecorded	8	11	3.822513537	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4ccc(O)cc4)n5cc(CCO)nn5)n6cc(CCCN=C(N)N)nn6
849680	4.699999909	5	3.9700558	7.4375625	Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3	4	5	3.4675067	CC(C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C(C)C)n4cc(CCO)nn4)n5cc(CCO)nn5
853971	5.035465371	10	3.532758791	6.715370536	Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Prelamin-A/C, Vitamin D receptor	7	10	3.182611744	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C(C)C)n4cc(CCO)nn4)n5cc(CCCN=C(N)N)nn5
854623	4.430346899	28	3.93758803	7.091595982	Aldehyde dehydrogenase 1A1, Bromodomain adjacent to zinc finger domain protein 2B, Cytoplasmic zinc-finger protein, DNA polymerase iota, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, Mothers against decapentaplegic homolog 3, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Polyadenylate-binding protein 1, Thioredoxin glutathione reductase, Tyrosyl-DNA phosphodiesterase 1, Zinc finger protein mex-5	14	28	3.154007952	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)CC)n4cc(nn4)[C@@H](N)CC(C)C)n5cc(nn5)[C@@H](N)CO
860035	4.070588149	17	3.95855319	6.76171875	Ataxin-2, Cruzipain, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Hypoxia-inducible factor 1 alpha, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Prelamin-A/C, Ubiquitin carboxyl-terminal hydrolase 2	12	17	2.80316556	CC[C@@H]1O[C@@]2(C[C@H]3C[C@H](C\C=C(/C)\[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C6CO[C@@H]7[C@@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C
860905	5.03032239	22	5.552622457	6.197891014	ATPase family AAA domain-containing protein 5, Ataxin-2, Chromobox protein homolog 1, DNA polymerase kappa, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Ras-related protein Rab-9A, Serine/threonine-protein kinase mTOR, Thioredoxin reductase 1- cytoplasmic	10	22	0.645268557	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
863252	4.899668434	15	4.74376124	7.217808036	ATP-dependent DNA helicase Q1, ATPase family AAA domain-containing protein 5, Alpha-synuclein, DNA polymerase beta, Ferritin light chain, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, NotRecorded, Nuclear factor erythroid 2-related factor 2, Rap guanine nucleotide exchange factor 3	10	15	2.474046796	COC(=O)[C@H](CO)n1cc(nn1)c2cc(cc(c2)c3cn(nn3)[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C
866848	4.526861058	10	4.270001221	6.2335625	ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic	6	10	1.963561279	Cl.CC[C@H](C)C(C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCC(=O)O)n4cc(nn4)C(N)CO)n5cc(nn5)C(N)Cc6ccc(O)cc6
873354	4.761595586	45	4.398395943	6.643591786	Ataxin-2, DNA dC->dU-editing enzyme APOBEC-3G, DNA polymerase beta, DNA polymerase eta, DNA polymerase iota, DNA polymerase kappa, Geminin, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase MLL, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Isocitrate dehydrogenase [NADP] cytoplasmic, Large T antigen, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Parathyroid hormone receptor, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Regulator of G-protein signaling 4, Serine/threonine-protein kinase PLK1, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic, Vitamin D receptor, Werner syndrome ATP-dependent helicase	26	45	2.245195843	C[C@@H]1C[C@@H](OC(=O)CC(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]4OC(=O)C(=C)[C@H]24)[C@@H]5[C@H](OC(=O)C5=C)[C@@]6(C)[C@@H]1C=CC6=O
877731	5.010739682	6	4.072502444	5.836875	Bromodomain adjacent to zinc finger domain protein 2B, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Thioredoxin glutathione reductase	4	6	1.764372556	Cl.CC(C)CC(N)c1cn(nn1)[C@@H](Cc2ccc(O)cc2)C(=O)N3CCN(CC3)c4nc(NCCOCCOCCOCC#C)nc(n4)N5CCN(CC5)C(=O)[C@H](CCC(=O)O)n6cc(nn6)C(N)CO
878819	6.563239614	7	3.939213828	6.164482143	NotRecorded, Regulator of G-protein signaling 4	2	7	2.225268315	C[C@@H](C[C@H](O)C1OC2CC[C@@]3(CC[C@H](O3)\C=C\[C@@H](C)C4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CCC5O)O4)C)OC2[C@H](O)C1=C)C6O[C@@]7(CCCCO7)CC[C@H]6C
879258	4.511812992	17	3.003714994	7.499540809	4′-phosphopantetheinyl transferase ffp, ATPase family AAA domain-containing protein 5, Aldehyde dehydrogenase 1A1, Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, DNA polymerase iota, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic	11	17	4.495825815	Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCC(=O)O)n5cc(nn5)C(N)[C@H](C)CC
880790	5.317710249	19	3.566955342	6.6748125	Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase beta, Ferritin light chain, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Luciferin 4-monooxygenase, Microtubule-associated protein tau, Muscleblind-like protein 1, Neuropeptide S receptor, NotRecorded, Streptokinase A	10	19	3.107857158	CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4C(=C(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)C5=NC6(CCN(CC(C)C)CC6)N=C5c4c3C2=O)O
881511	4.104956058	13	3.39808347	6.996440728	Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, Histone-lysine N-methyltransferase MLL, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, MAP kinase ERK2, NotRecorded	8	13	3.598357258	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)CC)n4cc(CCCN=C(N)N)nn4)n5cc(CCCN=C(N)N)nn5
881513	4.958028589	14	4.573565334	6.913549554	Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase beta, DNA polymerase iota, DNA polymerase kappa, DNA-(apurinic or apyrimidinic site) lyase, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, MAP kinase ERK2, Muscleblind-like protein 1, NotRecorded	12	14	2.33998422	Cl.C[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCCN=C(N)N)nn5
882220	4.718270893	9	5.846138716	7.51984375	Cruzipain, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Parathyroid hormone receptor	6	9	1.673705034	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C(C)C)n4cc(CCO)nn4)n5cc(CCCCN)nn5
883937	5.224179458	16	4.202526655	7.636227679	Aldehyde dehydrogenase 1A1, Chromobox protein homolog 1, Histone-lysine N-methyltransferase MLL, Menin/Histone-lysine N-methyltransferase MLL, Neuropeptide S receptor, NotRecorded	6	16	3.433701023	C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)C(O)CC(CC(=C)CO)OC%11CC%10OC9\C=C/C[C@@]8(C)OC7CC6OC15
884425	4.840602085	14	3.267005439	7.134214286	Bromodomain adjacent to zinc finger domain protein 2B, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic	6	14	3.867208847	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)CC)n4cc(nn4)[C@@H](N)Cc5ccc(O)cc5)n6cc(nn6)[C@@H](N)CO
885768	5.785897513	9	5.638464954	5.948443287	Geminin, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded	3	9	0.309978333	CC(C)(C)OC(=O)CC[C@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)c2oc(nn2)[C@H](Cc3ccc(OC(C)(C)C)cc3)NC(=O)OC(C)(C)C
890405	4.906731065	17	4.319012239	8.3744375	Ataxin-2, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Thioredoxin reductase 1- cytoplasmic, Ubiquitin carboxyl-terminal hydrolase 1	10	17	4.055425261	Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N4CCN(CC4)c5nc(NCCOCCOCCOCC#C)nc(n5)N6CCOCC6
890942	5.166692653	14	3.510103599	7.0971875	Bromodomain adjacent to zinc finger domain protein 2B, Ferritin light chain, Lysosomal alpha-glucosidase, MAP kinase ERK2, Microtubule-associated protein tau, Muscleblind-like protein 1, NotRecorded, Putative fructose-1-6-bisphosphate aldolase, Streptokinase A, Thyroid hormone receptor beta-1	10	14	3.587083901	CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)c5c(nc6cc(C)ccn56)c4c3C2=O
892044	4.554766649	12	3.771571139	7.51984375	Beta-glucocerebrosidase, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, DNA polymerase iota, Ferritin light chain, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Luciferin 4-monooxygenase, Lysine-specific demethylase 4D-like, NotRecorded, Putative fructose-1-6-bisphosphate aldolase	11	12	3.748272611	Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](C(C)C)n5cc(CCO)nn5
897560	5.678345303	38	4.217115146	5.996357143	ATPase family AAA domain-containing protein 5, Ataxin-2, Beta-lactamase AmpC, Chromobox protein homolog 1, DNA polymerase iota, Geminin, Isocitrate dehydrogenase [NADP] cytoplasmic, Lethal(3)malignant brain tumor-like protein 1, Mothers against decapentaplegic homolog 3, Niemann-Pick C1 protein, NotRecorded, Nuclear receptor ROR-gamma, Ras-related protein Rab-9A	13	38	1.779241997	C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
897585	5.364272901	27	4.565244823	6.88235119	ATPase family AAA domain-containing protein 5, Ataxin-2, Chromobox protein homolog 1, DNA-(apurinic or apyrimidinic site) lyase, Eyes absent homolog 2, Ferritin light chain, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Niemann-Pick C1 protein, Nonstructural protein 1, NotRecorded, Nuclear receptor ROR-gamma, Ras-related protein Rab-9A	14	27	2.317106368	C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
899768	5.486155381	25	4.73839476	7.299357143	Ataxin-2, Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Isocitrate dehydrogenase [NADP] cytoplasmic, Nonstructural protein 1, NotRecorded, Nuclear receptor ROR-gamma, Ras-related protein Rab-9A	9	25	2.560962383	CCC(C)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
900384	5.085678685	31	3.588512631	6.147102103	Aberrant vpr protein, Alpha-synuclein, Heat shock protein beta-1, Nonstructural protein 1, NotRecorded, Streptokinase A	6	31	2.558589472	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
900430	3.775000659	8	4.357620046	6.0469375	Beta-glucocerebrosidase, Cruzipain, Cytochrome P450 3A4, Inositol monophosphatase 1, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2	7	8	1.689317454	COC(=O)CC1C2(C)CC34OC5(C)O[C@]6(C(OC(=O)C)[C@]3(O)C2OC(=O)C(C)C)C7\C(=C(\O)/C(C)C)\C(=O)OC(c8cocc8)[C@]7(C)C(OC(=O)C)C(OC(=O)C)[C@]6(O5)[C@@]14C
900971	4.981449206	10	4.280366751	7.019298393	Chromobox protein homolog 1, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Thioredoxin reductase 1- cytoplasmic	6	10	2.738931642	Cl.C[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCCN=C(N)N)nn4)n5cc(CCCN=C(N)N)nn5
900972	5.701107591	4	3.238471573	7.4375625	Guanine nucleotide-binding protein G(s)- subunit alpha, NotRecorded	2	4	4.199090927	Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCCCN)nn5
900986	5.13457551	12	4.276176757	6.562838914	Aldehyde dehydrogenase 1A1, Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase beta, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Muscleblind-like protein 1, NotRecorded, Putative fructose-1-6-bisphosphate aldolase, Tyrosyl-DNA phosphodiesterase 1	10	12	2.286662156	Cl.NC(=NCCCc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCCN=C(N)N)nn5)nn1)N
904856	5.077242015	5	3.810451258	6.24921875	Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Glucagon-like peptide 1 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded	5	5	2.438767492	CC(O)Cc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CC(C)O)nn5)nn1
907532	4.068106036	4	3.737544282	7.72553125	NotRecorded, Ubiquitin carboxyl-terminal hydrolase 2	2	4	3.987986968	COC1C(O)CC(=O)OC(C)C\C=C\C=C\[C@@H](OC2CCC(C(C)O2)N(C)C)C(C)C[C@@H](CC=O)[C@@H]1O[C@H]3OC(C)[C@H](O[C@@H]4C[C@@](C)(O)C(O)C(C)O4)C(C3O)N(C)C
908538	5.840107226	5	3.029300979	6.1891375	Beta-lactamase AmpC, DNA polymerase iota, Isocitrate dehydrogenase [NADP] cytoplasmic, NotRecorded	4	5	3.159836521	CC(=O)OCC1OC(OCc2cn(C[C@H]3CC[C@H](Cn4cc(COC5OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C5OC(=O)C)nn4)O3)nn2)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
911023	5.362913378	9	4.1620873	7.55221875	DNA polymerase beta, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Glycoprotein hormones alpha chain, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Mothers against decapentaplegic homolog 3, NotRecorded	9	9	3.39013145	Cl.CC(O)Cc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(CCC(=O)O)nn5)nn1
916415	4.330492297	11	3.329752325	6.288151989	Lysine-specific demethylase 4A, Nonstructural protein 1, NotRecorded, Runt-related transcription factor 1/Core-binding factor subunit beta, Tyrosyl-DNA phosphodiesterase 1	5	11	2.958399664	COC(=O)[C@@H]1C[C@@]23[C@@H](N(C)c4ccc(OC)cc24)C(=C(N=C3N1S(=O)(=O)c5ccc(OC)cc5)C(=O)OC)C(=O)OC
917689	4.623630526	21	3.346770648	6.203857143	Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, DNA polymerase iota, Flap endonuclease 1, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase MLL, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, NotRecorded, Serine/threonine-protein kinase PLK1, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic	14	21	2.857086495	Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](Cc5ccc(O)cc5)n6cc(CCO)nn6
921318	5.319550791	7	5.236666667	7.636227679	Aldehyde dehydrogenase 1A1, NotRecorded	2	7	2.399561012	CC(CO)CC1CC(O)[C@]2(C)OC3CC4OC5C[C@]6(C)O[C@]7(C)CCC8OC9C[C@]%10(C)OC%11C(CC%10OC9C[C@@H](C)C8OC7CC6O[C@]5(C)C\C=C/C4OC3CC2O1)OC(=O)C=C%11C
923527	4.497242637	10	4.645063371	7.21703125	Bromodomain adjacent to zinc finger domain protein 2B, Histone-lysine N-methyltransferase MLL, Lysine-specific demethylase 4A, NotRecorded, Nuclear factor erythroid 2-related factor 2	5	10	2.571967879	Cl.CC[C@H](C)C(C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCC(=O)O)n4cc(nn4)C(N)CC(C)C)n5cc(nn5)C(N)CC(C)C
925978	5.047695601	16	4.570501172	6.546788504	Chromobox protein homolog 1, DNA polymerase iota, Geminin, Glucagon-like peptide 1 receptor, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Rap guanine nucleotide exchange factor 4	8	16	1.976287333	CC(C)(C)OC(=O)CC[C@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)c2oc(nn2)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
931513	4.654523301	8	2.112926092	6.12025	Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, DNA-(apurinic or apyrimidinic site) lyase, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Muscleblind-like protein 1, NotRecorded	7	8	4.007323908	Cl.CC(C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCCN)nn4)n5cc(CCO)nn5
933210	4.794104386	16	4.177444269	7.076327344	Aberrant vpr protein, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase eta, DNA polymerase iota, Geminin, Lysine-specific demethylase 4A, Microtubule-associated protein tau, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	9	16	2.898883075	Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCC(=O)O)n5cc(nn5)C(N)[C@H](C)CC
934783	4.970833717	12	4.374345078	8.557558036	4′-phosphopantetheinyl transferase ffp, Beta-glucocerebrosidase, Ferritin light chain, MAP kinase ERK2, Menin/Histone-lysine N-methyltransferase MLL, Muscleblind-like protein 1, Niemann-Pick C1 protein, NotRecorded, Nuclear receptor ROR-gamma	9	12	4.183212958	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
940277	4.916692674	9	4.297336035	6.817982143	ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Thioredoxin glutathione reductase	6	9	2.520646108	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCCN=C(N)N)nn5
940298	5.888918235	5	3.298244376	6.791625	DNA polymerase iota, Geminin, NotRecorded	3	5	3.493380624	Cl.CC(O)Cc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H]([C@@H](C)O)n5cc(CCCCN)nn5
940480	4.887776777	7	3.974955072	6.180227679	Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase beta, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Thioredoxin glutathione reductase	5	7	2.205272607	Cl.NCCCC[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCC(=O)O)n4cc(nn4)C(N)Cc5ccc(O)cc5)n6cc(nn6)C(N)CO
941465	4.557405596	27	3.948799559	6.55146412	Caspase-1, Caspase-7, Cruzipain, Cytochrome P450 3A4, DNA polymerase kappa, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Lysine-specific demethylase 4D-like, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, NotRecorded, Nuclear receptor ROR-gamma	11	27	2.602664561	CC(=O)OCC1OC(Oc2cc(OC(=O)C)c3C(=O)C=C(Oc3c2)c4ccc(OC(=O)C)c(OC(=O)C)c4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
942241	4.924900233	10	3.849125125	6.1815625	Aldehyde dehydrogenase 1A1, Bromodomain adjacent to zinc finger domain protein 2B, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Thioredoxin glutathione reductase, Ubiquitin-conjugating enzyme E2 N	6	10	2.332437375	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)CO)n5cc(nn5)[C@@H](N)Cc6ccc(O)cc6
942643	5.75590097	8	5.52500337	6.234905692	Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Microtubule-associated protein tau, NotRecorded	3	8	0.709902322	CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67C89)C(=O)OC)C1
943930	4.699328713	24	4.255969056	6.439833333	Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase eta, DNA polymerase iota, Envelope glycoprotein gp160, Glycoprotein hormones alpha chain, Histone acetyltransferase GCN5, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Rap guanine nucleotide exchange factor 3, Rap guanine nucleotide exchange factor 4, Serine/threonine-protein kinase PLK1, Vitamin D receptor	14	24	2.183864277	COc1cc(\C=C/2\C(=O)N=C3SC(=NN3C2=N)S(=O)(=O)C)cc(OC)c1OCCOc4cccc(C)c4
947718	4.941513967	22	4.425878732	6.972136905	ATPase family AAA domain-containing protein 5, Ataxin-2, DNA polymerase iota, Ferritin light chain, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Menin/Histone-lysine N-methyltransferase MLL, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Parathyroid hormone receptor, Rap guanine nucleotide exchange factor 3, Ubiquitin carboxyl-terminal hydrolase 1	13	22	2.546258173	CC(C)(C)OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)c2oc(nn2)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
954198	4.09375	16	4.175255645	7.328183594	Anthrax lethal factor, Cruzipain, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Hypoxia-inducible factor 1 alpha, NotRecorded, Signal transducer and activator of transcription 6, Survival motor neuron protein	11	16	3.152927949	COc1ccc(C[C@H]2N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(cc5)[C@@H](O)[C@H](N(C)C(=O)[C@@H](C)NC2=O)C(=O)N3C)c4)cc1
959085	3.949999891	7	4.512871153	6.6045	Cruzipain, Cytochrome P450 3A4, DNA polymerase kappa, Microtubule-associated protein tau, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2	6	7	2.091628847	CCC(C)C(OC(=O)C)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(=O)CC(c3cocc3)[C@@]12C)[C@@]4(C)C(CC(=O)O[C@@](C)(COC(=O)C)C4CC(=O)OC)OC(=O)C
959300	4.805837498	35	4.402602134	6.676861735	4′-phosphopantetheinyl transferase ffp, ATPase family AAA domain-containing protein 5, Ataxin-2, Beta-glucocerebrosidase, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Huntingtin, Isocitrate dehydrogenase [NADP] cytoplasmic, Lysine-specific demethylase 4D-like, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Prelamin-A/C, Sphingomyelin phosphodiesterase, Survival motor neuron protein, TAR DNA-binding protein 43	21	35	2.2742596	CC(C)(C)NC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N4CCOCC4)N5CCOCC5)cc2s1
964303	4.505828028	16	3.137965733	6.5244375	Bcl-2-related protein A1, Bromodomain adjacent to zinc finger domain protein 2B, Lysine-specific demethylase 4A, Muscleblind-like protein 1, NotRecorded, Rac GTPase-activating protein 1, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic, Ubiquitin-conjugating enzyme E2 N, Werner syndrome ATP-dependent helicase	10	16	3.386471767	Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(nn5)[C@@H](N)CC(C)C
964611	4.964443932	5	4.23458155	6.20484375	Bromodomain adjacent to zinc finger domain protein 2B, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded	3	5	1.9702622	Cl.NCCCC[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4cc5ccccc5[nH]4)n6cc(nn6)[C@@H](N)CO)n7cc(nn7)[C@@H](N)CO
974787	4.682887465	5	3.087088437	6.77892	Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, NotRecorded	3	5	3.691831563	Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(CCC(=O)O)nn5
974788	5.638920341	5	4.130601892	6.6558125	ATPase family AAA domain-containing protein 5, Geminin, NotRecorded	3	5	2.525210608	Cl.NCCCC[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCCN)nn4)n5cc(CCC(=O)O)nn5
977982	5.471223112	36	5.560592464	6.220049283	ATP-dependent DNA helicase Q1, Bloom syndrome protein, Geminin, HERG, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, M-phase phosphoprotein 8, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, Neuropeptide S receptor, NotRecorded, Peripheral myelin protein 22, Prelamin-A/C, Survival motor neuron protein, Thioredoxin reductase 1- cytoplasmic, Tyrosyl-DNA phosphodiesterase 1	15	36	0.659456819	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O
979358	4.667405799	6	4.060065176	7.034227976	Bromodomain adjacent to zinc finger domain protein 2B, NotRecorded, TAR DNA-binding protein 43	3	6	2.9741628	Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H]([C@@H](C)O)n5cc(CCCCN)nn5
979359	4.879030171	16	4.779869077	7.228477455	Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, DNA polymerase iota, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, Menin/Histone-lysine N-methyltransferase MLL, Mothers against decapentaplegic homolog 3, NotRecorded, Thioredoxin reductase 1- cytoplasmic, Ubiquitin carboxyl-terminal hydrolase 1	10	16	2.448608378	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCCN=C(N)N)nn4)n5cc(CCCN=C(N)N)nn5
981457	4.540583409	21	4.420150929	6.420689732	Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Envelope glycoprotein gp160, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Parathyroid hormone receptor, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Serine/threonine-protein kinase PLK1, Vitamin D receptor	12	21	2.000538803	COc1cc(\C=C/2\C(=O)N=C3SC(=NN3C2=N)S(=O)(=O)C)cc(OC)c1OCCOc4ccc(C)cc4
988097	4.366666196	6	3.459864667	6.24921875	Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3	5	6	2.789354083	CC(C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCO)nn4)n5cc(CCO)nn5
996450	4.573578218	17	3.457022542	7.135420956	ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, DNA polymerase iota, Glutaminase kidney isoform- mitochondrial, Lethal(3)malignant brain tumor-like protein 1, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, Muscleblind-like protein 1, NotRecorded	10	17	3.678398414	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4ccc(O)cc4)n5cc(nn5)[C@@H](N)C(C)CC)n6cc(nn6)[C@@H](N)CO
997270	5.204655854	8	2.646602635	7.92525	Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Lysine-specific demethylase 4A, NotRecorded, Ubiquitin-conjugating enzyme E2 N	5	8	5.278647365	NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCOCC4
998962	4.923691263	5	4.302660413	6.732904643	Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded	5	5	2.43024423	Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCCN=C(N)N)nn4)n5cc(CCCCN)nn5
1005809	5.003564069	14	3.449991201	6.791625	Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, Mothers against decapentaplegic homolog 3, NotRecorded	7	14	3.341633799	Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)C([C@@H](C)CC)n5cc(nn5)C(N)CC(C)C
1006844	4.744605277	14	3.779361585	8.17003125	Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Regulator of G-protein signaling 4, Serine/threonine-protein kinase PLK1	5	14	4.390669665	Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc2ccc(O)cc2)C(=O)N3CCN(CC3)c4nc(NCCOCCOCCOCC#C)nc(n4)N5CCOCC5
1013605	4.758345819	7	5.961816431	7.015833036	ATPase family AAA domain-containing protein 5, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic, Ubiquitin carboxyl-terminal hydrolase 1	5	7	1.054016604	Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCCCN)nn5
1013606	4.821686033	5	3.361954584	7.12875375	DNA polymerase iota, Geminin, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1	4	5	3.766799166	Cl.CC(O)Cc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(CC(C)O)nn5
1015948	4.702458266	14	5.354795845	7.751166667	Arachidonate 15-lipoxygenase, Cellular tumor antigen p53, Cytochrome P450 3A4, Geminin, Lysine-specific demethylase 4D-like, MAP kinase ERK2, Microtubule-associated protein tau, NotRecorded, Peripheral myelin protein 22, Ubiquitin carboxyl-terminal hydrolase 2	10	14	2.396370821	CC[C@@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7[C@](O)(C(OC(=O)C)[C@]8(CC)C=CCN9CC[C@@]67C89)C(=O)OC)C1.OS(=O)(=O)O
1016236	4.360202314	12	3.603009248	6.6045	Cruzipain, Cytochrome P450 3A4, MAP kinase ERK2, NotRecorded, Survival motor neuron protein, Ubiquitin carboxyl-terminal hydrolase 2	6	12	3.001490752	CCC(C)C(O)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(=O)CC(c3cocc3)[C@@]12C)[C@@]4(C)C(CC(=O)O[C@@](C)(COC(=O)C)C4CC(=O)OC)OC(=O)C
1016485	3.91923057	13	2.58825213	6.163894231	Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, DNA-(apurinic or apyrimidinic site) lyase, Ferritin light chain, Menin/Histone-lysine N-methyltransferase MLL	8	13	3.575642101	CC(=O)OC[C@@H]1O[C@@H](O\N=C/2\C[C@@H](O)[C@@H](O)[C@H]3[C@H]2CC[C@H]4[C@H]3C(=O)N(Cc5ccc6OCOc6c5)C4=O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C
1017883	4.604224615	14	4.591726532	6.6748125	Cruzipain, Ferritin light chain, Geminin, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear receptor ROR-gamma, Peripheral myelin protein 22, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2	9	14	2.083085968	CCC(C)C1O[C@@]2(CC3CC(C\C=C(/C)\[C@H](OC4CC(OC)C(O[C@H]5CC(OC)[C@@H](O)C(C)O5)C(C)O4)[C@@H](C)\C=C\C=C\6/COC7C(O)C(=C[C@H](C(=O)O3)[C@@]67O)C)O2)C=CC1C
1018063	5.268448679	5	2.814617893	7.052499286	Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Geminin, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1	5	5	4.237881392	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCCN=C(N)N)nn4)n5cc(CCCCN)nn5
1020272	4.990294069	13	4.198483484	5.794495192	15-hydroxyprostaglandin dehydrogenase [NAD+], Aldehyde dehydrogenase 1A1, Bloom syndrome protein, Endonuclease 4, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, M-phase phosphoprotein 8, NotRecorded, Prelamin-A/C, Survival motor neuron protein, Thioredoxin reductase 1- cytoplasmic, Tyrosyl-DNA phosphodiesterase 1	12	13	1.596011708	[Na+].NC(=S)c1ccc[n+](c1)[C@@H]2O[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@H]([C@H](OP(=O)(O)[O-])[C@H]3O)n4cnc5c(N)ncnc45)C(O)C2O
1021705	5.162543584	23	3.251515716	5.771717663	Ataxin-2, Beta-lactamase AmpC, DNA dC->dU-editing enzyme APOBEC-3F, DNA dC->dU-editing enzyme APOBEC-3G, DNA polymerase eta, DNA polymerase iota, Ferritin light chain, Geminin, Glucagon-like peptide 1 receptor, Glutaminase kidney isoform- mitochondrial, Isocitrate dehydrogenase [NADP] cytoplasmic, Niemann-Pick C1 protein, Nonstructural protein 1, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	15	23	2.520201948	CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC3OCC(O)C(O)C3O)[C@]4(C)C2[C@H](OC(=O)c5ccccc5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](O)C4=O)C6(C)C)C
1023562	6.02005964	4	3.652670455	8.317873512	NotRecorded, Nuclear receptor ROR-gamma	2	4	4.665203057	CO[C@H]1[C@@H](O)CC(OC2[C@@H](O)CC(OC3[C@@H](O)C[C@H](OC4CC[C@@]5(C)C(CCC6C5CC(O)[C@]7(C)[C@@H](CCC67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C
1031768	4.659665221	16	3.628094811	7.147035156	78 kDa glucose-regulated protein, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Geminin, Lethal(3)malignant brain tumor-like protein 1, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, Muscleblind-like protein 1, NotRecorded	9	16	3.518940346	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4ccc(O)cc4)n5cc(nn5)[C@@H](N)CC(C)C)n6cc(nn6)[C@@H](N)CO
1032651	4.664331483	8	3.521475151	6.6045	4′-phosphopantetheinyl transferase ffp, DNA polymerase kappa, Ferritin light chain, NotRecorded, Tyrosyl-DNA phosphodiesterase 1	5	8	3.083024849	CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)c1ccccc1OCCOc2ccccc2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
1034013	4.692319457	26	4.865407599	6.222828869	ATP-dependent DNA helicase Q1, Anthrax lethal factor, Arachidonate 15-lipoxygenase, CREB-binding protein, Cellular tumor antigen p53, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear receptor ROR-gamma	13	26	1.357421271	CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@@](O)([C@@H](C(=O)OC)[C@@]8(CC)C=CCN9CC[C@@]67[C@H]89)C(=O)OC)C1
1037572	6.024715551	9	4.827117534	6.164482143	Microtubule-associated protein tau, NotRecorded, Nuclear receptor ROR-gamma	3	9	1.337364609	CC(CC(O)C1OC2CCC3(CCC(O3)\C=C\C(C)C4CC(=CC5(OC(CC(C)(O)C(=O)O)CCC5O)O4)C)OC2C(O)C1=C)C6OC7(CCCCO7)CCC6C
1050366	5.808830029	11	5.607578467	4.446006392	NotRecorded, Tubulin, Tubulin beta chain	3	11	-1.161572075	CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C[C@H](O)c2cc1O
1050526	4.313416546	11	4.317854137	3.943590909	NotRecorded, Tubulin	2	11	-0.374263228	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)C#N)[C@@H]1CC[C@@H]2O
1050530	4.895162489	11	4.885178738	3.27199513	NotRecorded, Tubulin	2	11	-1.613183608	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(OCCO)cc34)[C@@H]1CC[C@@H]2O
1050880	5.811871652	11	6.041323522	3.305998377	NotRecorded, Tubulin	2	11	-2.735325145	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(\C=C\CO)cc34)[C@@H]1CC[C@@H]2O
1055873	5.799918125	10	5.355935116	5.69143547	NotRecorded	1	10	0.335500354	CC(C)C[C@H](NC(=O)CC(NC(=O)C[C@@H]1CCCc2ccccc12)c3cccc(F)c3)B(O)O
1058701	3.641816286	361	4.730707403	7.081486014	NotRecorded	1	361	2.350778611	CCC(=O)N(C)c1ccc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c4nc[nH]c4n2)cc1
1063717	8.24875	8	7.185788674	7.20659375	NotRecorded	1	8	0.020805076	COc1cc(OC)c2c(O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]23O)C(=O)N(C)C)c4ccccc4)c5ccc(Br)cc5)c1
1063722	7.72	8	5.782021795	6.59740625	NotRecorded	1	8	0.815384455	COc1ccc2c(O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]23O)C(=O)N(C)C)c4ccccc4)c5ccc(Br)cc5)c1
1064079	6.61791732	34	4.419312453	5.052949081	NotRecorded, Sodium/potassium-transporting ATPase	2	34	0.633636628	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2
1064110	7.504740293	119	5.364245526	7.67721218	NotRecorded, Sodium/potassium-transporting ATPase	2	119	2.312966654	C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O
1064522	4.751701748	7	5.678801922	6.700525	NotRecorded, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3	3	7	1.021723078	CO[C@H]1C[C@H](O[C@H]2CC[C@]3(OC)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O
1068079	5	8	5.533537903	6.821623512	NotRecorded	1	8	1.288085609	COC(=O)CCC(=O)OCC1=C2[C@H](O)C3[C@](O)(COC(=O)\C(=C\C)\C)[C@H]4C[C@H]4[C@]3(C)[C@@H]5CC6=C7[C@H](\C(=C(/C)\C(=O)OC)\C(=O)[C@H](O)[C@@]7(C)[C@@H]8C[C@H]68)[C@]25OC1=O
1068908	5.085408674	33	3.712213004	8.27778125	Cytochrome P450 3A4, HERG, Histone acetyltransferase GCN5, NotRecorded	4	33	4.565568246	CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(CC(C)C(=O)C(C)C(O)C1(C)O)OC
1073671	9.34	7	5.060243494	7.135696429	NotRecorded	1	7	2.075452935	CO[C@H]1[C@@H](CCN2CCOCC2)O[C@H]3C[C@H]4O[C@@H](CC[C@@H]5O[C@@H](CC[C@@]67C[C@H]8O[C@@H]9[C@@H](O[C@H]%10CC[C@H](CC(=O)C[C@H]13)O[C@@H]%10[C@@H]9O6)[C@H]8O7)CC5=C)C[C@@H](C)C4=C
1073676	8.494479068	8	5.635717672	8.19503125	NotRecorded	1	8	2.559313578	CO[C@H]1[C@@H](CC(=O)CN2CCOCC2)O[C@H]3C[C@H]4O[C@@H](CC[C@@H]5O[C@@H](CC[C@@]67C[C@H]8O[C@@H]9[C@@H](O[C@H]%10CC[C@H](CC(=O)C[C@H]13)O[C@@H]%10[C@@H]9O6)[C@H]8O7)CC5=C)C[C@@H](C)C4=C
1073679	7.933325671	10	5.577451735	7.636227679	NotRecorded	1	10	2.058775944	CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10CCOCC%10
1073681	9.485	8	6.124438593	6.161508929	NotRecorded	1	8	0.037070336	CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN(C)CC#C
1073718	8.3725	4	5.061750831	6.45634375	NotRecorded	1	4	1.394592919	CO[C@H]1[C@@H](CCN)O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@H]12)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C
1073721	9.2275	4	5.675749478	8.19503125	NotRecorded	1	4	2.519281772	CO[C@H]1[C@@H](C[C@H](O)CN2CCOCC2)O[C@H]3C[C@H]4O[C@@H](CC[C@@H]5O[C@@H](CC[C@@]67C[C@H]8O[C@@H]9[C@@H](O[C@H]%10CC[C@H](CC(=O)C[C@H]13)O[C@@H]%10[C@@H]9O6)[C@H]8O7)CC5=C)C[C@@H](C)C4=C
1073724	9.355	4	5.934593645	6.372098214	NotRecorded	1	4	0.43750457	CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10CC%10C
1073725	9.26	4	5.934593645	6.372098214	NotRecorded	1	4	0.43750457	CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10C[C@@H]%10C
1073726	9.185	4	5.934593645	6.372098214	NotRecorded	1	4	0.43750457	CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10C[C@H]%10C
1073727	8.53	4	7.305743769	6.8669375	NotRecorded	1	4	-0.438806269	CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10CCN(CC%10)S(=O)(=O)c%11ccc(C)cc%11
1073729	9.63	4	7.296183501	6.77459375	NotRecorded	1	4	-0.521589751	CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10CCN(CC%10)C(F)(F)F
1073731	8.2725	4	6.344835272	6.76525	NotRecorded	1	4	0.420414728	CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN(C)c%10ncccn%10
1073732	9.6225	4	6.289004602	6.446388393	NotRecorded	1	4	0.15738379	CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN(CC#C)CC#C
1078487	6.038410846	33	4.161045439	7.56065625	Androgen Receptor, NotRecorded	2	33	3.399610811	Cl.CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC
1078592	6.405335103	28	2.885625	8.317873512	Androgen Receptor, NotRecorded	2	28	5.432248512	CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C
1080296	5.169219547	26	5.262777569	6.73921875	Ataxin-2, DNA dC->dU-editing enzyme APOBEC-3F, Geminin, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Parathyroid hormone receptor	10	26	1.476441181	CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2
1080867	5.482296903	11	4.295489633	7.124978977	Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Lysine-specific demethylase 4A, NotRecorded	6	11	2.829489345	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)CC(C)C)n5cc(nn5)[C@@H](N)CC(C)C
1081300	5.727309862	26	3.214438106	7.599198558	ATP-dependent Clp protease proteolytic subunit, Aberrant vpr protein, Alpha-synuclein, Ataxin-2, Chromobox protein homolog 1, Geminin, Isocitrate dehydrogenase [NADP] cytoplasmic, NotRecorded, Nuclear factor erythroid 2-related factor 2, Paired box protein Pax-8, Protein skinhead-1, Regulator of G-protein signaling 4, TAR DNA-binding protein 43, Transcriptional regulator ERG	14	26	4.384760452	COC(=O)C12OCC34C(CC5C(=C(O)C(=O)CC5(C)C3C(O)C1O)C)OC(=O)C(OC(=O)\C=C(/C)\C(C)C)C24
1081866	4.493221451	10	3.295806477	7.213055	Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, NotRecorded	5	10	3.917248523	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)CC(C)C)n5cc(nn5)[C@@H](N)CO
1082358	5.474798117	9	5.27457493	8.4185	ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, NotRecorded, Nuclear factor erythroid 2-related factor 2	5	9	3.14392507	CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCOCC3)n4cc(CCO)nn4
1085751	4.774371667	7	3.632820554	6.817982143	Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, DNA repair protein RAD52 homolog, Geminin, NotRecorded	5	7	3.185161589	Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCCN=C(N)N)nn5
1088937	4.634107326	6	3.588822875	6.997763542	Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Geminin, NotRecorded	4	6	3.408940667	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(CC(C)O)nn4)n5cc(CCCCN)nn5
1089670	5.063697793	6	4.745081891	6.880349851	Bromodomain adjacent to zinc finger domain protein 2B, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded	3	6	2.13526796	Cl.C[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCCN)nn4)n5cc(CCCN=C(N)N)nn5
1089832	4.850073083	9	4.355001849	7.234552282	Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1	6	9	2.879550433	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)O)n4cc(CCCCN)nn4)n5cc(CCCN=C(N)N)nn5
1090187	4.946549345	8	3.95825931	5.835994792	ATP-dependent Clp protease proteolytic subunit, Lysine-specific demethylase 4A, NotRecorded, TAR DNA-binding protein 43	4	8	1.877735482	Cc1cccc(NC(=O)c2[nH]cnc2C(=O)NCCN(CCNC(=O)c3nc[nH]c3C(=O)Nc4cccc(C)c4)CCNC(=O)c5nc[nH]c5C(=O)Nc6cccc(C)c6)c1
1090285	4.452709987	7	3.943295004	7.4259375	Bcl-2-related protein A1, Chromobox protein homolog 1, NotRecorded, Thioredoxin reductase 1- cytoplasmic, Ubiquitin-conjugating enzyme E2 N	5	7	3.482642496	CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(nn5)[C@@H](N)CC(=O)N
1092129	4.498621226	10	4.170274538	7.313375	Chromobox protein homolog 1, DNA polymerase iota, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, NotRecorded, Nuclear factor erythroid 2-related factor 2, Parathyroid hormone receptor	7	10	3.143100462	NCCCC[C@H](N)c1cn(nn1)[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CC(=O)N)n5cc(nn5)[C@@H](N)CC(=O)N
1098126	4.648547205	13	4.29622596	7.766524124	Alpha-synuclein, Geminin, Lysine-specific demethylase 4A, Nonstructural protein 1, NotRecorded, Transcription factor SKN7	6	13	3.470298165	CN1CCN(CC1)C2CCN(CC2)c3ccc(Nc4nnc(Cl)c(Nc5ccccc5S(=O)(=O)C)n4)c(OC(CF)CF)c3
1098860	4.78252598	11	4.660267243	7.4259375	ATPase family AAA domain-containing protein 5, DNA polymerase iota, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin reductase 1- cytoplasmic, Ubiquitin-conjugating enzyme E2 N	6	11	2.765670257	CC[C@H](C)C(N)c1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CC(=O)N)n5cc(nn5)[C@@H](N)CC(=O)N
1099783	4.598030988	7	3.441179986	7.21703125	Aberrant vpr protein, Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Lysine-specific demethylase 4A	4	7	3.775851264	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)CO)n5cc(nn5)[C@@H](N)CC(C)C
1101373	4.605025859	7	4.479268272	7.4259375	DNA polymerase iota, Geminin, Lysine-specific demethylase 4A, NotRecorded, Ubiquitin-conjugating enzyme E2 N	5	7	2.946669228	CC[C@H](C)C(N)c1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(nn5)[C@@H](N)CC(=O)N
1101607	5.609239158	31	5.431815987	5.842066964	ATPase family AAA domain-containing protein 5, Ataxin-2, DNA dC->dU-editing enzyme APOBEC-3F, DNA polymerase iota, Geminin, Glucagon-like peptide 1 receptor, Glycoprotein hormones alpha chain, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2	11	31	0.410250977	CC(CC(O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\C(C)[C@@H]4CC(=CC5(O[C@H](C[C@@](C)(O)CO)CCC5O)O4)C)O[C@H]2C(O)C1=C)[C@H]6OC7(CCCCO7)CCC6C
1102000	4.468734045	9	3.473005613	7.212613194	ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, Lysine-specific demethylase 4A, NotRecorded	5	9	3.739607581	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)C(C)CC)n5cc(nn5)[C@@H](N)CO
1102194	4.491709642	9	3.266338682	6.967364782	Bcl-2-related protein A1, Bromodomain adjacent to zinc finger domain protein 2B, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Rac GTPase-activating protein 1, Ubiquitin-conjugating enzyme E2 N	6	9	3.7010261	Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(nn5)[C@@H](N)CC(C)C
1104017	4.975681775	16	3.41524062	5.946183315	ATP-dependent Clp protease proteolytic subunit, DNA polymerase iota, DNA topoisomerase, Geminin, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2	7	16	2.530942694	Clc1ccc(NC(=O)c2[nH]cnc2C(=O)NCCN(CCNC(=O)c3nc[nH]c3C(=O)Nc4ccc(Cl)cc4)CCNC(=O)c5nc[nH]c5C(=O)Nc6ccc(Cl)cc6)cc1
1105681	4.781480329	12	4.552696268	7.4259375	ATPase family AAA domain-containing protein 5, Bcl-2-related protein A1, DNA polymerase iota, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, NotRecorded, Rap guanine nucleotide exchange factor 3, Ubiquitin-conjugating enzyme E2 N	8	12	2.873241232	CC[C@H](C)C(N)c1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)C([C@@H](C)O)n5cc(nn5)[C@@H](N)CCCCN
1108026	5.644484884	8	4.356462472	7.150562612	Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded	4	8	2.79410014	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CC(C)O)nn4)n5cc(CCCN=C(N)N)nn5
1109228	6.34065774	33	4.166224954	6.164482143	ATPase family AAA domain-containing protein 5, Aberrant vpr protein, Alpha-synuclein, Ataxin-2, Cellular tumor antigen p53, DNA polymerase iota, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2	12	33	1.998257189	CC(CC(O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\C(C)[C@@H]4CC(=CC5(O[C@H](C[C@@](C)(O)C(=O)O)CCC5O)O4)C)O[C@H]2C(O)C1=C)[C@H]6OC7(CCCCO7)CCC6C
1110355	4.582884495	12	4.539999843	7.313375	ATPase family AAA domain-containing protein 5, Bcl-2-related protein A1, Chromobox protein homolog 1, DNA polymerase iota, Geminin, Lysine-specific demethylase 4A, NotRecorded, Ubiquitin-conjugating enzyme E2 N	8	12	2.773375157	NCCCC[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)CC(=O)N)n5cc(nn5)[C@@H](N)CC(=O)N
1112805	5.831069752	23	4.332382694	6.856151786	ATPase family AAA domain-containing protein 5, Ataxin-2, Geminin, Glucagon-like peptide 1 receptor, Glycoprotein hormones alpha chain, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, TAR DNA-binding protein 43	10	23	2.523769091	COC(=O)[C@](C)(O)C[C@@H]1CC[C@@H](O)C2(O1)O[C@@H](CC(=C2)C)[C@H](C)\C=C\[C@H]3CC[C@@]4(CC[C@H]5O[C@H]([C@@H](O)C[C@H](C)[C@H]6OC7(CCCCO7)CC[C@H]6C)C(=C)[C@@H](O)[C@@H]5O4)O3
1114844	4.785923438	12	2.894640687	6.2964375	ATPase family AAA domain-containing protein 5, Bcl-2-related protein A1, DNA polymerase iota, NotRecorded, Rap guanine nucleotide exchange factor 3, Ubiquitin-conjugating enzyme E2 N	6	12	3.401796813	CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCN=C(N)N)n5cc(nn5)C(N)[C@@H](C)CC
1115227	6.079483646	16	5.050678703	6.0115	ATP-dependent Clp protease proteolytic subunit, Ataxin-2, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor subfamily 0 group B member 1	9	16	0.960821297	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1.OS(=O)(=O)O
1115619	4.576995894	10	3.950988498	7.4259375	Geminin, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin reductase 1- cytoplasmic, Ubiquitin-conjugating enzyme E2 N	5	10	3.474949002	CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCC(=O)O)n5cc(nn5)[C@@H](N)CCCCN
1115997	5.247370981	5	3.769637152	9.10815625	Ataxin-2, Geminin, NotRecorded	3	5	5.338519098	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCOCC3)n4cc(nn4)[C@@H](N)Cc5ccc(O)cc5
1116154	4.910529908	13	3.847654454	8.4739375	ATPase family AAA domain-containing protein 5, Ataxin-2, DNA polymerase iota, Guanine nucleotide-binding protein G(s)- subunit alpha, Mothers against decapentaplegic homolog 3, NotRecorded, Parathyroid hormone receptor, Regulator of G-protein signaling 4, Ubiquitin carboxyl-terminal hydrolase 1	9	13	4.626283046	CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCOCC4
1140321	5.731844473	13	5.97548326	5.023392834	DNA topoisomerase I, DNA topoisomerase II alpha, NotRecorded	3	13	-0.952090425	Cc1ccc(cc1C)c2c3C(=O)NC(=O)Nc3nc4c5ccccc5C(=O)c24
1140401	5.400781748	5	4.791180082	6.623114167	NotRecorded	1	5	1.831934084	CCOC1=C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)\C=C\C(C)(C)O)[C@@]4(C)CC(=O)[C@@]23C)C(C)(C)C1=O
1140405	5.253027852	6	3.320473391	6.606764583	NotRecorded	1	6	3.286291192	CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
1140406	5.423027852	6	4.752775586	5.417606399	NotRecorded	1	6	0.664830813	COC1=C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)\C=C\C(C)(C)O)[C@@]4(C)CC(=O)[C@@]23C)C(C)(C)C1=O
1140421	7.009764491	8	3.326020833	6.365008929	NotRecorded	1	8	3.038988095	C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c4ccc(O)cc4
1140422	7.321321342	8	4.090396504	6.36653125	NotRecorded	1	8	2.276134746	C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c4ccc(O)cc4
1140428	6.106342595	15	2.366854509	5.95871875	NotRecorded	1	15	3.591864241	C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c4ccc(O)c(O)c4
1142558	5	7	7.578037723	7.49378125	NotRecorded	1	7	-0.084256473	COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3CO[C@@H](O[C@H]4CC([C@H](C)C(=O)CC[C@@H](C)CO)[C@@]5(C)CC[C@H]6[C@@H](CC[C@H]7C[C@@H](O)CC[C@]67C)[C@H]45)[C@H](OC(=O)C)[C@H]3O
1142559	5	7	7.578037723	7.49378125	NotRecorded	1	7	-0.084256473	COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)CO[C@@H](O[C@H]4CC([C@H](C)C(=O)CC[C@@H](C)CO)[C@@]5(C)CC[C@H]6[C@@H](CC[C@H]7C[C@@H](O)CC[C@]67C)[C@H]45)[C@@H]3OC(=O)C
1142562	5	7	7.578037723	7.49378125	NotRecorded	1	7	-0.084256473	COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3CO[C@@H](O[C@@H]4CC([C@H](C)C(=O)CC[C@@H](C)CO)[C@@]5(C)CC[C@H]6[C@@H](CC[C@H]7C[C@@H](O)CC[C@]67C)[C@H]45)[C@H](OC(=O)C)[C@H]3O
1142563	6.494285714	7	7.505761673	7.49378125	NotRecorded	1	7	-0.011980423	COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)CO[C@@H](O[C@@H]4CC([C@H](C)C(=O)CC[C@@H](C)CO)[C@@]5(C)CC[C@H]6[C@@H](CC[C@H]7C[C@@H](O)CC[C@]67C)[C@H]45)[C@@H]3OC(=O)C
1143259	8.256369864	7	6.925982772	5.961107143	NotRecorded	1	7	-0.964875629	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](CC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C(F)F)c6ccc(F)cc6)C(=C([C@@H](O)C3=O)C5(C)C)C
1147921	7.948	5	7.123094228	6.360044643	NotRecorded	1	5	-0.763049585	COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)CO[C@@H](O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)CCC[C@@H](C)CO)[C@@H]3OC(=O)C
1147923	6.862	5	5.864123419	6.0420625	NotRecorded	1	5	0.177939081	COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)CO[C@@H](O[C@H]4C=C5C[C@@H](O)CC[C@]5(C)[C@H]6CC[C@@]7(C)[C@@H](C[C@H](O)[C@@H]7[C@H](C)CCC[C@@H](C)CO)[C@H]46)[C@@H]3OC(=O)C
1150389	5.43	4	5.133712643	5.605604729	NotRecorded	1	4	0.471892086	CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)NCc1ccc2ccccc2c1)B(O)O
1150390	5.48	4	5.292725219	5.966895752	NotRecorded	1	4	0.674170533	CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)NCc1ccc2ccccc2c1)B(O)O
1150391	5.5025	4	5.340851357	6.521450812	NotRecorded	1	4	1.180599455	CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc2ccc3ccccc3c2)B(O)O
1150393	5.14	4	5.09240426	5.485175807	NotRecorded	1	4	0.392771547	CC(C)C[C@H](NC(=O)CCC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc2ccccc2c1)B(O)O
1164346	3.245136002	5	6.338987052	7.6456875	NotRecorded	1	5	1.306700448	COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3cccc(OCCCOc4cccc(c4)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c3
1164347	3.30510346	5	6.085340816	8.32790625	NotRecorded	1	5	2.242565434	COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3cccc(OCCCCOc4cccc(c4)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c3
1164348	3.488517498	5	5.695573983	5.920584821	NotRecorded	1	5	0.225010838	COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3cccc(OCCCCCOc4cccc(c4)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c3
1164350	3.460561855	5	6.085340816	8.38890625	NotRecorded	1	5	2.303565434	COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3cccc(OC\C=C\COc4cccc(c4)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c3
1164416	3.341773478	5	6.338987052	7.13565625	NotRecorded	1	5	0.796669198	COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3ccc(OCCCOc4ccc(cc4OC)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c(OC)c3
1164417	3.259269736	5	6.085340816	7.686375	NotRecorded	1	5	1.601034184	COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3ccc(OCCCCOc4ccc(cc4OC)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c(OC)c3
1164418	3.42517748	5	5.872757483	6.623364583	NotRecorded	1	5	0.7506071	COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3ccc(OCCCCCOc4ccc(cc4OC)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c(OC)c3
1164419	3.236798115	5	6.090862052	7.686375	NotRecorded	1	5	1.595512948	COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3ccc(OC\C=C/COc4ccc(cc4OC)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c(OC)c3
1164420	3.588880672	5	6.031448091	7.686375	NotRecorded	1	5	1.654926909	COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3ccc(OC\C=C\COc4ccc(cc4OC)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c(OC)c3
1166671	6.845	4	3.558684839	6.807671875	NotRecorded	1	4	3.248987036	OC[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3c(O)c4OCOc4cc3[C@@H]12
1168097	3.115652966	5	3.215036939	6.51340625	NotRecorded	1	5	3.298369311	CC(=O)OC[C@@]12[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]15O[C@@]3(C)COC(=O)c6cccnc6CC[C@](C)(OC(=O)C)C(=O)O[C@@H]([C@H](OC(=O)C)[C@@H]2OC(=O)C)[C@]5(C)O
1168100	3.071839412	5	3.25448292	6.51340625	NotRecorded	1	5	3.25892333	C[C@H]1CCc2ncccc2C(=O)OC[C@]3(C)O[C@]45[C@H](OC(=O)c6ccccc6)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@]4(COC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC1=O)[C@]5(C)O
1168712	5.689091763	4	4.594543458	6.05871875	NotRecorded	1	4	1.464175292	COc1ccc2c3CN4CN(C[C@@H]4Cc3c5cc(OC)c(OC)cc5c2c1)N(C)C
1171870	4.468574629	8	4.953577688	7.537348214	NotRecorded	1	8	2.583770526	CC(C)C(=O)O[C@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)c2cccnc2)C(C)(C)\C=C\[C@@H](C)C(=O)[C@]3(C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]3\C=C/1\COC(=O)C)OC(=O)C
1208171	4.864484514	5	5.911330201	6.856588393	Chromobox protein homolog 1, DNA polymerase iota, Geminin, NotRecorded, T-complex protein 1 subunit beta	5	5	0.945258192	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCC(=O)O)nn5
1211510	4.912963593	16	4.474514092	7.828407924	Ataxin-2, DNA dC->dU-editing enzyme APOBEC-3G, Guanine nucleotide-binding protein G(s)- subunit alpha, Hepatocyte nuclear factor 4-alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Paired box protein Pax-8, Perilipin-1	9	16	3.353893832	COc1ccc(CNC(=O)O[C@H]2CN3N([C@H](CN(CC#C)S(=O)(=O)c4ccc(C)cc4)[C@H]2OC(=O)NCc5ccc(OC)c(OC)c5)C(=O)C=CC3=O)cc1OC
1216356	4.770892446	7	4.26666897	7.537346301	Ataxin-2, Glucagon-like peptide 1 receptor, Mothers against decapentaplegic homolog 3, NotRecorded, Serine/threonine-protein kinase PLK1	5	7	3.270677331	CC(C)OC(=O)N1C[C@H](OC(=O)NCc2occc2)[C@H](OC(=O)NCc3occc3)[C@@H](CN(CC#C)S(=O)(=O)c4ccc(C)cc4)N1C(=O)OC(C)C
1218287	4.88640253	6	3.717183835	6.817982143	Chromobox protein homolog 1, DNA polymerase iota, Geminin, NotRecorded, Rap guanine nucleotide exchange factor 3	5	6	3.100798308	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(CC(C)O)nn4)n5cc(CCCN=C(N)N)nn5
1218532	6.279301887	15	3.630090751	6.432297619	Ataxin-2, Glucagon-like peptide 1 receptor, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded	5	15	2.802206868	CC[C@H](C)C1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)C(C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O
1219773	4.674407423	19	3.741516008	6.6748125	Androgen Receptor, Bile acid receptor FXR, Cellular tumor antigen p53, Estrogen receptor alpha, Glucocorticoid receptor, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor subfamily 1 group I member 2, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Retinoid X receptor alpha, Thyroid hormone receptor beta-1, Vitamin D receptor	13	19	2.933296492	CC[C@H](C)C1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(=O)C)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C
1221132	5.511619377	7	5.124419404	8.256727679	Geminin, NotRecorded, Vitamin D receptor	3	7	3.132308275	CC(CC1CC(O)[C@]2(C)OC3CC4OC5C[C@]6(C)O[C@]7(C)CCC8OC9C[C@]%10(C)OC%11C(CC%10OC9C[C@@H](C)C8OC7CC6O[C@]5(C)C\C=C/C4OC3CC2O1)OC(=O)C=C%11C)C%12OCCO%12
1221164	5.764459806	6	2.657083333	7.163196726	DNA polymerase iota, Geminin, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1	4	6	4.506113393	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCCN)nn4)n5cc(CCCN=C(N)N)nn5
1222443	5.134051165	4	3.714797005	7.55221875	Chromobox protein homolog 1, NotRecorded	2	4	3.837421745	Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCC(=O)O)nn4)n5cc(CCCCN)nn5
1222935	5.290954281	6	4.641297824	8.072	DNA polymerase iota, Geminin, NotRecorded	3	6	3.430702176	C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)C(O)CC(CC(=C)COC(=O)CCC(=O)O)OC%11CC%10OC9\C=C/C[C@@]8(C)OC7CC6OC15
1223562	5.447506485	18	3.740503753	8.034125	Geminin, Glutaminase kidney isoform- mitochondrial, Mothers against decapentaplegic homolog 3, NotRecorded, Peripheral myelin protein 22	5	18	4.293621247	CO[C@H]1[C@@H](CC(=O)O[C@H](C)C[C@@H]2OC2\C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1OC3OC(C)C(OC4CC(C)(O)C(OC(=O)CC(C)C)C(C)O4)C(C3O)N(C)C)OC(=O)C
1224423	4.895936856	89	4.471360708	7.5325625	Androgen Receptor, Bile acid receptor FXR, Cellular tumor antigen p53, Estrogen receptor alpha, Glucocorticoid receptor, Heat shock protein beta-1, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Nuclear factor erythroid 2-related factor 2, Nuclear receptor subfamily 1 group I member 2, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Proto-oncogene c-JUN, Retinoid X receptor alpha, Thyroid hormone receptor beta-1, Vitamin D receptor	16	89	3.061201792	CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C.OC(=O)c8ccccc8
1228060	4.187500094	4	3.296813274	6.41109375	DNA polymerase iota, Parathyroid hormone receptor, Vitamin D receptor	3	4	3.114280476	OCCc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCO)nn5)nn1
1239866	6.767587556	7	4.174908333	7.398125	Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2	3	7	3.223216667	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C
1242297	4.479608164	4	3.366458918	7.02917433	DNA polymerase iota, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, NotRecorded	4	4	3.662715413	Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)O)n4cc(CCCCN)nn4)n5cc(CCCCN)nn5
1248681	5	4	2.820833333	8.372830357	NotRecorded	1	4	5.551997024	CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)C)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
1248989	2.624624435	272	5.448433433	7.752877068	Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	105	272	2.304443635	CO[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]2[C@]3(C)CC[C@@H](O3)[C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@H](O5)[C@@H](C)[C@@H]6O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]6OC)O4)[C@H]7O[C@](C)(O)[C@H](C)C[C@@H]7C)O[C@@H](C)[C@@H]1OC
1264657	5.150315008	7	5.784441714	6.039821429	NotRecorded	1	7	0.255379714	C[C@@H]1O[C@H](OC\C=C\2/CC[C@H]3[C@@H]4CC[C@H]5Cc6nc7C[C@@]8(C)[C@@H](CC[C@H]9[C@@H]%10CC\C(=C/CO[C@H]%11O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%11O)\[C@@]%10(C)C[C@H](O)[C@H]89)Cc7nc6C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)[C@H](O)[C@H](O)[C@H]1O
1264831	6.166205999	5	3.976440759	6.7533125	NotRecorded	1	5	2.776871741	COc1cc(cc2OCOc12)C3C4=C(COC4=O)Nc5cc6OCOc6c(OC)c35
1264834	6.301339999	9	5.64001433	6.132918651	NotRecorded	1	9	0.492904321	COc1cc(cc2OCOc12)C3C4=C(COC4=O)Nc5cc6OCCOc6cc35
1267399	4.5	6	4.092049089	5.963669643	NotRecorded	1	6	1.871620554	CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
1268809	5.752	5	5.242912901	7.216845784	NotRecorded	1	5	1.973932883	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3CO[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC[C@]78OC[C@@]9(CCC(C)(C)C[C@@H]79)C(=O)C[C@@]68C)C4(C)C)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O
1268810	5.736	5	5.088658777	7.216845784	NotRecorded	1	5	2.128187006	CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1
1268811	5.228	5	6.218693228	6.794388802	NotRecorded	1	5	0.575695574	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3CO[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC[C@]78OC[C@@]9(CCC(C)(C)C[C@@H]79)[C@H](O)C[C@@]68C)C4(C)C)[C@H](O[C@@H]%10O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O
1268962	5.72	5	4.656989356	8.299048382	NotRecorded	1	5	3.642059026	CC(=O)O[C@H]1[C@H](OC(=O)C)[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3CC1(C)C
1269338	2	6	2	6.458290179	NotRecorded	1	6	4.458290179	CCCC(=O)O[C@]1(C)CC[C@H](O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@@H]3[C@@H](C(C)C)[C@H](O)C[C@@](C)(OC(=O)C)[C@H]23
1271273	5.759407771	6	4.919403815	4.985665629	NotRecorded	1	6	0.066261815	CC(=O)O[C@@H]1COC(=O)/C/1=C/C[C@@H]2C(=C)CC[C@@H]3[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](CC[C@@]23C)OC(=O)C
1271274	5.631731365	6	4.788947535	4.606196348	NotRecorded	1	6	-0.182751187	CC(C)[Si](OC[C@]1(C)[C@H](O)CC[C@@]2(C)[C@H](C\C=C\3/[C@H](O)COC3=O)C(=C)CC[C@H]12)(C(C)C)C(C)C
1271431	4.720924381	6	4.7261739	4.014148045	NotRecorded	1	6	-0.712025855	CC(=O)O[C@@H]1COC(=O)/C/1=C/C[C@@H]2C(=C)CC[C@@H]3[C@](C)(CO[Si](c4ccccc4)(c5ccccc5)C(C)(C)C)[C@@H](CC[C@@]23C)OC(=O)C
1275995	5.83762332	4	6.403886294	5.218021577	NotRecorded	1	4	-1.185864717	CCC(C)[C@H](NC(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)O[C@H]2[C@@H]3[C@@H](COc4cc(OC)c(OC)cc34)Oc5c6C[C@@H](Oc6ccc25)C(=C)C
1280065	5.281245325	7	5.20155618	6.642375	NotRecorded	1	7	1.44081882	CC1C(C)c2ccncc2C(=O)OC[C@]3(C)O[C@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]4(COC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC1=O)[C@]5(C)O
1280343	4.301029996	5	4.673424791	7.52971875	NotRecorded	1	5	2.856293959	CC1(C)OC[C@@H](O1)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc4ccc(cc4)c5nc6ccc(F)cc6s5
1280574	6.614	5	5.60574279	3.745375357	NotRecorded	1	5	-1.860367433	COC1=CC=C2C(=CC1=O)[C@@H](N)CCc3c(Cl)c(OC)c(OC)c(OC)c23
1283852	5.254285714	7	4.670141406	6.377495536	NotRecorded	1	7	1.70735413	CO[C@]1(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CCC5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@@H]1C)O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O
1332863	4.97	6	4.873871664	5.981888393	NotRecorded	1	6	1.108016729	C[C@@H]1O[C@H](CC[C@@H]1O[C@H]2CCC(=O)[C@H](C)O2)O[C@H]3[C@H](O)C[C@@H](O[C@@H]3C)c4ccc5C(=O)c6c(O)c(C[C@](C)(CC(=O)O)O[C@H]7CC[C@H](O[C@H]8CCC(=O)[C@H](C)O8)[C@H](C)O7)ccc6C(=O)c5c4O
1332865	4.888333333	6	6.747429312	7.87025	NotRecorded	1	6	1.122820688	C[C@@H]1O[C@H](CC[C@@H]1O[C@H]2CCC(=O)[C@H](C)O2)O[C@@](C)(CC(=O)O)Cc3ccc4C(=O)c5c(O)c(ccc5C(=O)c4c3O)[C@H]6C[C@H]7O[C@H]8CC(=O)[C@H](C)O[C@H]8O[C@@H]7[C@@H](C)O6
1332866	4.841666667	6	6.586707989	7.339304688	NotRecorded	1	6	0.752596699	C[C@@H]1O[C@H](CC[C@@H]1O[C@H]2CCC(=O)[C@H](C)O2)O[C@H]3[C@H](O)C[C@@H](O[C@@H]3C)c4ccc5C(=O)c6c(O)c7C[C@](C)(CC(=O)c7cc6C(=O)c5c4O)O[C@H]8CC[C@H](O[C@H]9CCC(=O)[C@H](C)O9)[C@H](C)O8
1332868	5.391666667	6	6.478479339	6.3710625	NotRecorded	1	6	-0.107416839	C[C@@H]1O[C@H](CC[C@@H]1O[C@H]2CCC(=O)[C@H](C)O2)O[C@H]3[C@H](O)C[C@@H](O[C@@H]3C)c4ccc5C(=O)C6=C(C=C[C@]7(O)C[C@](C)(CC(=O)[C@]67O)O[C@H]8CC[C@H](O[C@H]9CCC(=O)[C@H](C)O9)[C@H](C)O8)C(=O)c5c4O
1335770	4.2	5	4.585664442	4.782973125	NotRecorded	1	5	0.197308683	COc1cc(cc(OC)c1OC)C2\C(=C\c3cccc(c3)[N+](=O)[O-])\C(=O)c4cc(OC)c(OC)c(OC)c24
1337838	5.3275	4	4.968708067	6	NotRecorded	1	4	1.031291933	CC1(C)CCC(=O)[C@]2(COC(=O)[C@@]34[C@H](OC(=O)c5ccc(cc5)C(F)(F)F)[C@@H](CC[C@@H]23)C(=C)C4=O)[C@@H]1C=O
1337842	5.595	4	5.188687774	6.601046875	NotRecorded	1	4	1.412359101	CC1(C)CCC(=O)[C@]2(COC(=O)[C@@]34[C@H](OC(=O)c5ccc(Cl)cc5)[C@@H](CC[C@@H]23)C(=C)C4=O)[C@@H]1C=O
1337843	5.6825	4	5.026647395	7.100625	NotRecorded	1	4	2.073977605	CC1(C)CCC(=O)[C@]2(COC(=O)[C@@]34[C@H](OC(=O)c5ccccc5Cl)[C@@H](CC[C@@H]23)C(=C)C4=O)[C@@H]1C=O
1339071	5.147434291	7	5.024026521	5.290818878	NotRecorded	1	7	0.266792357	CC1(C)CCC(=O)[C@]2(COC(=O)[C@@]34[C@H](O)[C@@H](CC[C@@H]23)C(=C)C4=O)[C@@H]1C=O
1339077	5.6475	4	4.857580305	7.100625	NotRecorded	1	4	2.243044695	COc1ccc(cc1)C(=O)O[C@@H]2[C@H]3CC[C@H]4[C@@]5(COC(=O)[C@@]24C(=O)C3=C)[C@H](C=O)C(C)(C)CCC5=O
1339957	6.743126937	8	4.605234855	6.241933036	NotRecorded	1	8	1.636698181	CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]3CC[C@@H](C)[C@H]3[C@@H]2OC(=O)\C=C\c4ccccc4
1344603	4.415168568	7	4.074354637	7.205607143	NotRecorded	1	7	3.131252506	CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3[C@H](O)C[C@@]4(C)[C@@H](CC=C4[C@]13C)[C@H]5CO[C@H]([C@H](O)C5)C(C)(C)O
1344604	4.395168568	7	3.934980134	7.205607143	NotRecorded	1	7	3.270627009	CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3[C@H](O)C[C@@]4(C)[C@@H](CC=C4[C@]13C)[C@H]5COC(C)(C)[C@@H](O)[C@H](O)C5
1346580	5.308	5	4.710085086	6.6029375	NotRecorded	1	5	1.892852414	COC(=O)[C@@]12OC[C@@]34[C@@H](CC5=C(C)C(=O)C(=C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)O)OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24
1346581	5.374	5	4.243007278	7.16228125	NotRecorded	1	5	2.919273972	COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5[C@H](C)[C@@H](O)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24
1350621	4.5	4	5.215792457	7.40059375	NotRecorded	1	4	2.184801293	COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@H](C[C@H]1c2ncc([nH]2)c3ccc(cc3)c4ccc(cc4)c5cnc([nH]5)[C@@H]6C[C@@H](CN6C(=O)[C@@H](NC(=O)OC)C(C)C)n7cc(nn7)C(=O)OC)n8cc(nn8)C(=O)OC
1356550	5.099766473	9	5.231925397	5.87296875	NotRecorded	1	9	0.641043353	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CCC(=O)O)[C@@H](CC[C@@]34C)C(=C)C)[C@@H]12)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
1356557	4.912628749	8	4.88106354	5.8666875	NotRecorded	1	8	0.98562396	CC(=C)[C@@H]1C[C@H](O)[C@@]2(CC[C@]3(C)[C@H](C[C@H]4OC(=O)C[C@@H](O)[C@@]5(C)[C@@H](CC[C@]3(C)[C@H]45)C(=C)C)[C@@H]12)C(=O)O
1359426	7.35	15	5.397342707	7.32833125	Sodium/potassium-transporting ATPase	1	15	1.930988543	CC1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@@H](CC[N+](=O)[O-])CC[C@]45O)C2)C(O)[C@@H](O)[C@H]1O
1368098	8.52	15	5.190539242	7.19784375	Sodium/potassium-transporting ATPase	1	15	2.007304508	C[C@]12CC[C@@H](CC1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@@H](CC[C@@]34O)C5=CC(=O)OC5)OC[C@H]6O[C@H](O)[C@H](O)[C@@H](O)[C@@H]6O
1378077	2	272	5.296905033	7.752877068	Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	105	272	2.455972035	N.CO[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]2[C@]3(C)CC[C@@H](O3)[C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@H](O5)[C@@H](C)[C@@H]6O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]6OC)O4)[C@H]7O[C@](C)(O)[C@H](C)C[C@@H]7C)O[C@@H](C)[C@@H]1OC
1378084	4.846856131	9	3.999227964	8.15165625	NotRecorded	1	9	4.152428286	C\C(=C(/CCOC(=O)c1ccccc1)\SS\C(=C(\C)/N(Cc2cnc(C)nc2N)C=O)\CCOC(=O)c3ccccc3)\N(Cc4cnc(C)nc4N)C=O
1378669	2.109114692	280	4.309656187	8.464957738	Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	105	280	4.155301551	CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C
1403002	4.739624327	10	4.035428679	7.433550893	Ataxin-2, Glucagon-like peptide 1 receptor, Glycoprotein hormones alpha chain, Guanine nucleotide-binding protein G(s)- subunit alpha, NotRecorded, Serine/threonine-protein kinase PLK1	6	10	3.398122214	CCCCCCN1C(=O)N2C[C@H](OC(=O)Nc3c(C)onc3C)[C@H](OC(=O)Nc4c(C)onc4C)[C@@H](CN(CC#C)S(=O)(=O)c5ccc(C)cc5)N2C1=O
1409092	5.075143758	6	4.842030669	6.525404204	NotRecorded	1	6	1.683373535	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)OCCCC[C@@H](C)Oc4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4C1=O
1411567	5.863242809	5	3.275080794	6.216825	Geminin, NotRecorded	2	5	2.941744206	CCN(C[C@H]1N[C@](CC)([C@@H]2[C@H]1C(=O)N(Cc3ccccc3)C2=O)C(=O)OC)C(=O)Nc4ccc(OC)cc4.OC(=O)C(F)(F)F
1411569	5.048557764	6	4.944700692	5.93811849	NotRecorded	1	6	0.993417797	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)OCCCC[C@@H](C)Oc4ccc(NS(=O)(=O)c5ccc(F)cc5)cc4C1=O
1412789	5.949576019	9	4.158720711	5.923255952	NotRecorded, Tyrosine-protein kinase YES	2	9	1.764535241	CN(C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3nc(nc(n3)N4CCOCC4)N5CCOCC5)cc2
1413247	7.237032821	23	5.760378925	6.66940633	NotRecorded, Nuclear factor NF-kappa-B complex, Proteasome Macropain subunit, Proteasome Macropain subunit MB1, Proteasome component C5	5	23	0.909027405	CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
1428626	4.619990686	1152	5.051222138	6.889145628	NotRecorded, PI3-kinase p110-alpha subunit, PI3-kinase p110-beta subunit, PI3-kinase p110-delta subunit, PI3-kinase p110-gamma subunit	5	1152	1.83792349	C[C@@H](Nc1ccccc1C(=O)O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C
1444326	5.7775	4	4.102619892	6.372417188	NotRecorded	1	4	2.269797295	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccccc5c4C(=O)c6cc(OC)c(OC)c(OC)c6)C2=O
1444327	5.7175	4	4.965405799	5.9983125	NotRecorded	1	4	1.032906701	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccccc5c4C(=O)c6cc(OC)ccc6OC)C2=O
1444336	7.33	4	4.771706244	6.269264509	NotRecorded	1	4	1.497558265	CCC(=O)c1c2CN3C(=O)C4=C(C=C3c2nc5ccccc15)[C@@](O)(CC)C(=O)OC4
1444607	5.442424197	24	5.347088447	9.10815625	NotRecorded	1	24	3.761067803	CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC(=O)C)[C@H]3OC(=O)C)[C@H]2O)[C@@H](O)[C@H]1O
1444611	5.745154997	24	5.690812081	7.380982143	NotRecorded	1	24	1.690170062	CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]4OC(=O)C)[C@H]3OC(=O)C)[C@H]2O)[C@@H](O)[C@H]1O
1444614	5.817090047	22	5.266655404	6.955575893	NotRecorded	1	22	1.688920489	CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]4OC(=O)C)[C@H]3OC(=O)C)[C@H]2O)[C@@H](O)[C@H]1O
1447926	4.15490196	4	4.446605174	7.3324375	NotRecorded	1	4	2.885832326	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)N[C@H](CO)C(=O)O
1447930	4.598423624	4	4.707207296	6.017484375	NotRecorded	1	4	1.310277079	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)NC6CC(C)(C)N([O])C6(C)C)C1(C)C
1449150	4.63222655	45	3.295902519	7.947477679	Bile salt export pump, Heat shock protein beta-1, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Nuclear factor erythroid 2-related factor 2, Proto-oncogene c-JUN, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3	8	45	4.65157516	CCCCCCCCCCCCOS(=O)(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
1450238	2.373974346	313	4.90660905	7.947477679	Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	106	313	3.040868629	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
1461867	5.53969801	13	4.514010422	4.91478711	NotRecorded	1	13	0.400776689	COc1cc2c3CC4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC.CC6(C)C7CC[C@@]6(C(=O)C7)S(=O)(=O)O
1461868	5.324284787	13	5.182252512	5.803600275	NotRecorded	1	13	0.621347763	COc1cc2c3CC4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC.Oc6c(cc(cc6[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
1461869	5.184064968	13	4.344750674	4.817817956	NotRecorded	1	13	0.473067282	COc1cc(\C=C\C(=O)O)ccc1O.COc2cc3c4CC5CCCN5Cc4c6cc(OC)c(OC)cc6c3cc2OC
1461877	5.424439431	13	4.390577264	4.545568104	NotRecorded	1	13	0.15499084	COc1cc2c3CC4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC.Nc6ccc(cc6)S(=O)(=O)O
1461878	5.479102732	13	4.640395749	5.031313674	NotRecorded	1	13	0.390917925	COc1cc2c3CC4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC.OC(=O)c6cc(ccc6O)S(=O)(=O)O
1477159	4.708453751	8	5.307566039	6.198472656	NotRecorded	1	8	0.890906617	COc1cc2c3CN4CCC[C@H]4CNc3c5cc(OC)c(OC)cc5c2cc1OC
1477284	4.660766606	8	5.251006495	6.367585938	NotRecorded	1	8	1.116579443	COc1cc2c3CN4CCC[C@@H]4CNc3c5cc(OC)c(OC)cc5c2cc1OC
1488448	4.910179515	9	3.156322824	6.8349375	NotRecorded	1	9	3.678614676	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](N)c4cc5OCOc5cc24
1503827	8.823640009	9	8.396188326	6.386009425	NotRecorded	1	9	-2.010178901	C[C@@H]1[C@H]2CC=C3[C@@H]4CC[C@H]5Cc6nc7C[C@@]8(C)[C@@H](CC[C@@H]9[C@@H]8C[C@@H](O)[C@@]%10(C)C9=C[C@@H]%11O[C@@]%12(CC[C@](C)(O)CO%12)[C@@H](C)[C@]%10%11O)Cc7nc6C[C@]5(C)[C@@]4(O)CC(=O)[C@]23CO[C@]1%13OC(C)(C)C[C@H]%13O
1512513	5.338190452	31	5.775022	6.863177954	NotRecorded, Tubulin	2	31	1.088155953	COc1cc(Sc2c([nH]c3ccccc23)C4CCC4)cc(OC)c1OC
1512515	5.237447697	31	6.76375	6.49629056	NotRecorded, Tubulin	2	31	-0.26745944	COc1cc(Sc2c([nH]c3ccccc23)C4CCCC4)cc(OC)c1OC
1512632	7.5025	4	4.761172838	4.914741964	NotRecorded	1	4	0.153569126	CN(C)c1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCCC4
1512848	5.785325123	31	6.975208333	5.967637721	NotRecorded, Tubulin	2	31	-1.007570613	COc1cc(Sc2c([nH]c3ccccc23)c4cc[nH]n4)cc(OC)c1OC
1512854	5.17	15	6.130647	6.158334821	Tubulin	1	15	0.027687821	COc1cc(Cc2c([nH]c3ccccc23)c4occc4)cc(OC)c1OC
1512861	4.85	15	5.672908603	6.770839286	Tubulin	1	15	1.097930683	COc1cc(cc(OC)c1OC)C(=O)c2c([nH]c3ccccc23)C4=NCCO4
1512862	5.03	15	6.948221103	6.770839286	Tubulin	1	15	-0.177381817	COc1cc(Cc2c([nH]c3ccccc23)C4=NCCO4)cc(OC)c1OC
1512864	5.244482895	31	6.768818204	5.813814516	NotRecorded, Tubulin	2	31	-0.955003688	COc1cc(cc(OC)c1OC)C(=O)c2c([nH]c3ccccc23)c4occn4
1512865	4.397940009	15	5.665016019	7.162571429	Tubulin	1	15	1.497555409	COc1cc(Sc2c([nH]c3ccccc23)C4=NCCN4)cc(OC)c1OC
1512868	5.26516129	31	6.11311042	6.144100374	NotRecorded, Tubulin	2	31	0.030989954	COc1cc(Cc2c([nH]c3ccccc23)c4ccccc4)cc(OC)c1OC
1516664	5.112413529	17	7.984063696	6.467367752	NotRecorded, Tubulin	2	17	-1.516695944	COc1ccc(cc1N)[C@H]2C[C@H]2c3ccc(OC)c(OC)c3OC
1521551	5.130616875	29	7.345	4.993405718	NotRecorded, Tubulin	2	29	-2.351594282	COc1ccc(cc1O)C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23
1521558	5.274027208	45	8.029185536	6.428964286	Tubulin	1	45	-1.600221251	COc1cccc(c1)c2noc(Nc3ccc(OC)c(Cl)c3)n2
1521562	4.170726004	45	7.757275978	6.143125	Tubulin	1	45	-1.614150978	COc1ccc(OC)c(c1)c2noc(Nc3ccc(C)c(F)c3)n2
1521563	4.97841237	45	7.912108702	6.770839286	Tubulin	1	45	-1.141269416	COc1ccc(OC)c(c1)c2noc(Nc3ccc4OCCOc4c3)n2
1521564	5.01978477	45	6.934856352	6.428964286	Tubulin	1	45	-0.505892066	COc1ccc(OC)c(c1)c2noc(Nc3ccc4OCOc4c3)n2
1521569	5.636522218	45	4.541124086	6.094122024	Tubulin	1	45	1.552997938	Cc1ccc(Nc2onc(n2)c3ccccc3)cc1
1521570	5.28129698	45	5.495529779	6.569126984	Tubulin	1	45	1.073597205	CCc1ccc(Nc2onc(n2)c3ccccc3F)cc1
1521572	5.488164508	45	5.046666572	6.643730655	Tubulin	1	45	1.597064082	Cc1ccc(Nc2onc(n2)c3ccccc3F)cc1F
1521949	5.17145494	28	7.31	5.130837435	NotRecorded, Tubulin	2	28	-2.179162565	COc1ccc(Cc2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1O
1522177	4.75	4	5.726529021	6.801991071	Acetylcholinesterase, Cholinesterase	2	4	1.07546205	C=CC(=O)N1C\C(=C/c2cccc3ccccc23)\C(=O)\C(=C\c4cccc5ccccc45)\C1
1525364	5.859678026	6	4.214291667	6.77075	NotRecorded	1	6	2.556458333	CC1C(C)c2ccncc2C(=O)OC[C@]3(C)O[C@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]4(COC(=O)C)[C@@H](OC(=O)C)[C@@H](O)[C@H](OC1=O)[C@]5(C)O
1525365	6	5	5.744013889	6.2048125	NotRecorded	1	5	0.460798611	CC1c2ccncc2C(=O)OC[C@]3(C)O[C@]45[C@H](O)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]4(COC(=O)c6cocc6)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C1(C)O)[C@]5(C)O
1525366	6	5	5	6.642375	NotRecorded	1	5	1.642375	CC1CCc2ccncc2C(=O)OC[C@]3(C)O[C@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@]4(COC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC1=O)[C@]5(C)O
1527715	2	7	7.270190681	6.98486503	Gamma-secretase, NotRecorded	2	7	-0.285325651	CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B3O[C@H]4C[C@H]5C[C@H](C5(C)C)[C@@]4(C)O3
1527716	2.428571429	7	7.270190681	7.375255619	Gamma-secretase, NotRecorded	2	7	0.105064939	CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)B(O)O
1528113	2.75	8	7.270190681	7.176337959	Gamma-secretase, NotRecorded	2	8	-0.093852722	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)B3O[C@H]4C[C@H]5C[C@H](C5(C)C)[C@@]4(C)O3
1528136	2.428571429	7	7.270190681	7.375255619	Gamma-secretase, NotRecorded	2	7	0.105064939	CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)B3O[C@H]4C[C@H]5C[C@H](C5(C)C)[C@@]4(C)O3
1528151	2	7	7.270190681	6.98486503	Gamma-secretase, NotRecorded	2	7	-0.285325651	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B3O[C@H]4C[C@H]5C[C@H](C5(C)C)[C@@]4(C)O3
1531633	5.475159841	79	3.29450017	6.048681216	Androgen Receptor, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Peroxisome proliferator-activated receptor delta, Proto-oncogene c-JUN	5	79	2.754181046	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
1531645	5.957513326	4	4.778411705	6.723053571	NotRecorded	1	4	1.944641867	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3CC1=O
1532493	5.196323038	26	2.885625	8.47619494	Androgen Receptor, NotRecorded	2	26	5.59056994	CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C.OC(C(O)C(=O)O)C(=O)O
1532634	4.939157615	25	4.809868218	8.034125	Androgen Receptor, NotRecorded	2	25	3.224256782	CO[C@H]1[C@@H](CC(=O)O[C@H](C)CC2OC2\C=C\C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)OC(=O)C
1533033	5.902513326	4	5.029891971	5.883147321	NotRecorded	1	4	0.853255351	C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3CC1=O
1533691	5.65996442	70	3.17051912	7.742949554	Androgen Receptor, NotRecorded, Nuclear factor erythroid 2-related factor 2, Peroxisome proliferator-activated receptor delta, Proto-oncogene c-JUN	5	70	4.572430434	[NH4+].CO[C@H]1CC(O[C@H]2C[C@@H](O[C@H]2[C@]3(C)CC[C@@H](O3)[C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@H](O5)[C@@H](C)[C@@H]6O[C@](O)(CC(=O)[O-])[C@@H](C)[C@H](OC)[C@H]6OC)O4)[C@H]7O[C@](C)(O)[C@H](C)C[C@@H]7C)O[C@@H](C)[C@@H]1OC
1535065	4.619249516	5	2.896708338	6.304223214	NotRecorded, Paired box protein Pax-8, Serine/threonine-protein kinase PLK1	3	5	3.407514876	COC(=O)[C@@H]1C[C@@H](OC(=O)Nc2c(C)onc2C)[C@@H](OC(=O)Nc3c(C)onc3C)[C@H](CN(CC#C)S(=O)(=O)c4ccc(C)cc4)[C@@H]1C(=O)OC
1535675	4.839276411	8	4.852060873	6.512896066	NotRecorded, Paired box protein Pax-8	2	8	1.660835193	C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)OCCCC[C@@H](C)Oc4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4C1=O
1538216	5.120493169	27	4.077746519	7.948133929	NotRecorded	1	27	3.87038741	CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O[C@@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)OC(=O)C
1538278	5.754334352	6	3.90250584	7.84396875	NotRecorded	1	6	3.94146291	COC1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(=O)C
1538280	5.70504801	5	4.331917061	8.338508929	DNA-(apurinic or apyrimidinic site) lyase, NotRecorded	2	5	4.006591867	CCC1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@@H](O[C@@H]3OC(C)CC(C3O)N(C)C)[C@@](C)(O)CC(C)CN(C)C(C)C(O)[C@]1(C)O
1538830	5.084159481	25	4.483056265	6.26153125	NotRecorded	1	25	1.778474985	CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(C6)O[C@H](C8CCCCC8)[C@@H](C)C=C7)[C@]45O)C)O[C@@H](C)[C@@H]1O
1542783	4.882179973	5	4.165519055	6.31876875	NotRecorded	1	5	2.153249695	C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCS(=O)(=O)CCCS(=O)(=O)CC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)O[C@@H]7O[C@]8(C)CC[C@@H]1[C@]27OO8
1542799	6.007372431	5	5.830450805	6.946937396	NotRecorded	1	5	1.116486591	C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNC(=O)CC[C@H](NC(=O)CC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)C(=O)NCC[C@H]7O[C@@H]8O[C@]9(C)CC[C@H]%10[C@H](C)CC[C@@H]([C@H]7C)[C@]8%10OO9)O[C@@H]%11O[C@]%12(C)CC[C@@H]1[C@]2%11OO%12
1543198	5	5	6.449237642	9.045625	NotRecorded	1	5	2.596387358	COC(=O)[C@]1(C)CC2=C3C=C(C(=O)[C@H](O)[C@@]3(C)[C@@H]4C[C@H]24)[C@@](C)(CC5=C6C=C1C(=O)[C@H](O)[C@@]6(C)[C@@H]7C[C@H]57)C(=O)OC
1547810	9.264130859	7	4.721937039	5.724116709	NotRecorded, Tubulin beta-2 chain	2	7	1.002179671	C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3cc(C)ccn3)\C
1547812	6.522878745	6	6.070050061	9.53140625	NotRecorded	1	6	3.461356189	C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ncccc3C)\C
1548018	8.23	6	6.060869104	6.86653125	NotRecorded	1	6	0.805662146	C[C@H]1CCC[C@H]2C[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccc(C)cn3)\C
1548112	5.117449119	21	4.252419673	7.535530371	ATPase family AAA domain-containing protein 5, Microtubule-associated protein tau, Nonstructural protein 1, NotRecorded, Serine-protein kinase ATM, Streptokinase A, Thioredoxin glutathione reductase	7	21	3.283110698	CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@]3(C)O[C@H]3[C@@H]1C
1548468	5.737530574	8	5.550578378	5.909	Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear receptor ROR-gamma	3	8	0.358421622	C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
1548508	4.346935832	9	3.838162994	6.51340625	Alpha-galactosidase A, Cruzipain, Cytochrome P450 3A4, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2	6	9	2.675243256	CCC(C)C(=O)O[C@@H]1C[C@@]2(C)C(OC(=O)CC23OC4(C)O[C@@]15[C@@]6(C)C(CC(=O)OC)C7(C)CC6(O)[C@](O)(C7OC(=O)C8(C)OC8C)C(OC(=O)C)[C@@]35O4)c9cocc9
1557618	4.822007278	15	5.356594309	6.1602125	Cyclooxygenase-1, Cyclooxygenase-2, NotRecorded	3	15	0.803618191	C\C=C(/C)\C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)[C@H]2C=C(C)C3=O)[C@@H]4C(C)(C)[C@]14OC(=O)C(C)C
1558651	4.464514998	10	4.409532089	6.75753125	NotRecorded	1	10	2.347999161	C[C@@H]1CCCCCCCC23O[C@@H]4[C@@H]5[C@H](O)[C@](O)(COC(=O)c6ccccc6)[C@@H](O)[C@]7(O)[C@@H](O)[C@@H](C)[C@H]1[C@H]7[C@@]5(O2)[C@H](C)C[C@@]4(O3)C(=C)C
1558654	4.596411998	10	5.562667417	6.5777875	NotRecorded	1	10	1.015120083	C[C@H]1CCCCCCCC23O[C@@H]4[C@@H]5[C@@H]6O[C@]6(CO)[C@@H](O)[C@]78O[C@](C)(OC7=O)[C@H]1[C@H]8[C@@]5(O2)[C@H](C)C[C@@]4(O3)C(=C)C
1558656	4.590720997	10	5.122562521	7.447833333	NotRecorded	1	10	2.325270812	C[C@@H]1[C@@H](OC(=O)C)[C@@]2(O[C@]3(O[C@@H]2[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]6(O)[C@@H](C=C(C)C6=O)[C@@]14O3)c7ccccc7)C(=C)C
1558657	5.013	10	5.613014369	8.666070536	NotRecorded	1	10	3.053056167	C[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@@]3(O[C@]4(O[C@@H]3[C@@H]5[C@@H]6O[C@]6(CO)[C@@H](O)[C@@]7(O)[C@@H](C=C(C)C7=O)[C@@]15O4)c8ccccc8)C(=C)C
1562417	7.9825	8	6.332410989	6.529830357	NotRecorded	1	8	0.197419369	C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]5(C)[C@H](CC[C@]45O)C6=COC(=O)C=C6)C2)[C@H](O)[C@H](O)[C@H]1O
1562845	5.708542408	9	6.412725266	6.4990625	NotRecorded	1	9	0.086337234	CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C3=C(C)[C@H](C[C@]3([C@@H](OC(=O)C)[C@@H]4C(=C)C(=O)C=C[C@@]14C)C(C)(C)O)OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c6ccccc6
1562846	5.23714128	9	6.159193069	6.5681875	NotRecorded	1	9	0.408994431	CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C3=C(C)[C@H](C[C@]3([C@@H](OC(=O)C)[C@@H]4C(=C)C(=O)C=C[C@@]14C)C(C)(C)O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c5ccccc5
1563479	4.385514998	4	5.725950117	6.841186607	NotRecorded	1	4	1.11523649	C[C@@H]1[C@@H]2[C@@H](O)C[C@@]3(O)C(C)(C)CC(OC(=O)C)[C@H](OC(=O)C)[C@]3(C)[C@H]2C[C@@]4(O)OC(=O)C=C14
1566883	5.74	4	4.514370393	7.044053571	NotRecorded	1	4	2.529683179	COc1ccc(cc1)C(=O)O[C@@H]2[C@H]3CC[C@H]4[C@@]56CO[C@@H](O)[C@@H]5C(C)(C)CC[C@@H]6OC(=O)[C@@]24C(=O)C3=C
1566884	6.255	4	4.869053464	6.295077902	NotRecorded	1	4	1.426024438	CC1(C)CC[C@@H]2OC(=O)[C@@]34[C@H](OC(=O)c5ccc(cc5)[N+](=O)[O-])[C@@H](CC[C@H]3[C@]26CO[C@@H](O)[C@H]16)C(=C)C4=O
1566888	5.915	4	4.175698788	6	NotRecorded	1	4	1.824301212	CC1(C)CC[C@@H]2OC(=O)[C@@]34[C@H](OC(=O)c5cc(F)c(F)c(F)c5F)[C@@H](CC[C@H]3[C@]26CO[C@@H](O)[C@H]16)C(=C)C4=O
1571797	5.171666667	6	5.659164322	5.9689125	NotRecorded	1	6	0.309748178	CC(=O)O[C@H]1C[C@@H]2[C@@H](OC(=O)C)[C@]3([C@@H]1[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@]3(O)OC5)C(=O)C2=C
1572430	6.841507499	8	4.776002324	6.619384115	NotRecorded	1	8	1.843381791	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN6C(=O)C7=C(CCCC7)C6=O)c(O)ccc5nc34)C2=O
1572434	7.05875	8	5.431483109	6.809473958	NotRecorded	1	8	1.377990849	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN6C(=O)C7=C(CCCC7)C6=O)c(OC)ccc5nc34)C2=O
1576722	2	4	2.639584823	6.638754464	NotRecorded	1	4	3.999169641	CCCCCCCCCCCCN(CCCCCCCCCCCC)Cc1c(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@](CC)(C[C@@H]2C)[C@H]3CC[C@](O)(CC)[C@H](C)O3)ccc(C)c1O
1578061	4.698970004	5	3.616034062	6.266959821	NotRecorded	1	5	2.650925759	CCC(C)C(=O)[C@@]12C(=O)C(=C3O[C@H](C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O)C(C)(C)O)CC=C(C)C
1578062	4.698970004	5	4.791034062	6.662602679	NotRecorded	1	5	1.871568616	CC(C)C(=O)[C@@]12C(=O)C(=C3O[C@H](C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O)C(C)(C)O)CC=C(C)C
1578394	5.159699705	8	4.927248254	7.634975446	NotRecorded	1	8	2.707727192	O[C@@H]1[C@@H](CO[C@@H]2O[C@H](COC(=O)c3cccnc3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](O[C@@H](C#N)c4ccccc4)[C@H](O)[C@H]1O
1578395	5.017435443	8	4.990960384	6.552922061	NotRecorded	1	8	1.561961677	CCOC(=O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c3ccccc3
1578454	6.684	5	6.583480685	4.093748512	Hepatocyte growth factor receptor, NotRecorded	2	5	-2.489732173	COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4ccccc4C#N)cc3F)ccnc2cc1OCCCN5CCCCC5
1578622	5.184163751	5	5.113509298	6.192624107	NotRecorded	1	5	1.079114809	CO[C@@H](NC(=O)C)[C@H](O)[C@]1(C)CC[C@H](C(C)C)[C@@H]1C2=C(C)C(=O)C(=CC(=C2)[C@]3(O)CC4=C5[C@@H](O3)[C@H](O)[C@]6(C)CC[C@H](C(C)C)[C@@H]6C5=C(C)C(=O)C(=C4)O)O
1580566	3.716033183	4	4.425438178	6.233107143	NotRecorded	1	4	1.807668965	CC(=O)N1N=C(C)O[C@@H]1C(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]34C)[C@@]2(C)CC#N
1580567	3.62	4	5.479067364	5.963360714	NotRecorded	1	4	0.48429335	CC(=O)N1N=C(C)O[C@H]1C(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]34C)[C@@]2(C)CC#N
1580610	6.614205999	5	4.08169	6.25628125	NotRecorded	1	5	2.17459125	CCOC(=O)Cn1cnc2c(OC)ccc(c3ocnc3c4cc(OC)c(OC)c(OC)c4)c12
1580655	6.301029996	5	3.602633333	6.25628125	NotRecorded	1	5	2.653647917	CCOC(=O)Cn1cnc2c(ccc(OC)c12)c3ocnc3c4cc(OC)c(OC)c(OC)c4
1580783	5.02	5	4.918897	6.002825893	NotRecorded	1	5	1.083928892	CCC(=O)O[C@@H]1[C@@H](OC(=O)C)C2=C(C(=O)C(=C(C(C)C)C2=O)O)[C@@]3(C)CCCC(C)(C)[C@H]13
1581018	4.490651833	17	6.248666667	7.01353125	NotRecorded, Tubulin	2	17	0.764864583	C[C@@H]1CC\C(=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@H]1C)\C(=C\c2csc(C)n2)\C)\C
1584306	5.1675	4	6.503406908	7.03109375	NotRecorded	1	4	0.527686842	Nc1nn(CC(=O)N2CCN(CCO)CC2)c3nc(cc(c13)C(F)(F)F)c4ccccc4
1589333	4.4575	4	6.67868287	6.80603125	NotRecorded	1	4	0.12734838	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(cc4)S(=O)(=O)N5CCN(CC5)c6ccc(cc6)[N+](=O)[O-])c7cc8OCOc8cc27
1592294	3.151070059	11	3.64851857	7.595352273	NotRecorded, Solute carrier organic anion transporter family member 1B3	2	11	3.946833702	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O
1595358	8.1	15	4.870684847	6.910063616	Sodium/potassium-transporting ATPase	1	15	2.039378769	C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@@]34O)C5=CC(=O)OC5)OC[C@@H]6O[C@@H](C[C@@H](O)[C@H]6O)OC[C@@H]7O[C@@H](C[C@@H](O)[C@H]7O)OC[C@@H]8O[C@H](O)C[C@@H](O)[C@H]8O
1595360	6.19	15	4.580322002	5.812626116	Sodium/potassium-transporting ATPase	1	15	1.232304115	CC(O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC[C@@H]5O[C@@H](C[C@@H](O)[C@H]5O)OC[C@@H]6O[C@@H](C[C@@H](O)[C@H]6O)OC[C@@H]7O[C@H](O)C[C@@H](O)[C@H]7O
1607107	4.397940009	5	5.505931665	8.323616071	NotRecorded	1	5	2.817684406	CC[C@@]12CC(=C3Nc4cc(O)c(cc4[C@@]35CCN(CC=C1)[C@@H]25)[C@@H]6[C@@H]7O[C@@H]7[C@]89CC[C@@]%10(Nc%11ccccc%11[C@@]%10%12CCN6[C@@H]8%12)[C@@H](C9)C(=O)OC)C(=O)OC
1609306	6.036635283	7	7.656041667	7.2784375	NotRecorded	1	7	-0.377604167	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C
1609307	6.416277355	8	5.948413794	7.87921875	NotRecorded	1	8	1.930804956	CO[C@H]1C(=O)[C@]2(C)CC[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
1609309	6.01837489	7	6.738462373	7.37453125	NotRecorded	1	7	0.636068877	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)N(C)C)C(=O)[C@]13C)C5(C)C)C
1609310	6.504508944	9	6.427033016	7.92525	NotRecorded	1	9	1.498216984	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC(=O)N(C)C)C(=O)[C@]13C)C5(C)C)C
1609312	6.330848944	8	7.403421478	7.95115625	NotRecorded	1	8	0.547734772	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C([C@@H](OC(=O)N(C)C)C(=O)[C@]13C)C5(C)C)C
1609313	6.124912489	7	6.001594785	7.83290625	NotRecorded	1	7	1.831311465	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)OC)C(=O)[C@]13C)C5(C)C)C
1609315	6.544398191	8	6.747272672	6.03996875	NotRecorded	1	8	-0.707303922	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C([C@@H](OC(=O)OC)C(=O)[C@]13C)C5(C)C)C
1609316	6.201274959	8	7.662511735	6.7391875	NotRecorded	1	8	-0.923324235	CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)N(C)C
1609317	6.199350466	8	4.89044082	7.49921875	NotRecorded, P-glycoprotein 1	2	8	2.60877793	CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C)OC(=O)N(C)C
1609318	6.182536188	8	6.516228372	5.97	NotRecorded	1	8	-0.546228372	CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccn6)C(=C1C5(C)C)C)OC(=O)N(C)C
1609319	6.400073235	6	7.023411661	7.95115625	NotRecorded	1	6	0.927744589	CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C)OC(=O)N(C)C
1609320	6.1868407	6	4.2173249	7.83290625	NotRecorded	1	6	3.61558135	CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)OC
1609321	6.509740647	7	4.218456546	6.00509375	NotRecorded	1	7	1.786637204	CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C)OC(=O)OC
1609322	6.110020747	6	5.844871167	5.94409375	NotRecorded	1	6	0.099222583	CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccn6)C(=C1C5(C)C)C)OC(=O)OC
1609323	6.945092528	9	5.754370372	6.03996875	NotRecorded	1	9	0.285598378	CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C)OC(=O)OC
1609324	6.387318038	8	5.128909014	7.780875	NotRecorded	1	8	2.651965986	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](OC)C(=O)[C@]13C)C6(C)C)C
1609325	6.384555529	9	6.438339798	7.780875	NotRecorded	1	9	1.342535202	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C([C@@H](OC)C(=O)[C@]13C)C6(C)C)C
1609327	6.363565866	9	7.395452706	7.81575	NotRecorded	1	9	0.420297294	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C([C@@H](OC)C(=O)[C@]13C)C6(C)C)C
1609328	6.536511095	9	6.519370285	7.665625	NotRecorded	1	9	1.146254715	CO[C@H]1C(=O)[C@]2(C)CC[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C1C6(C)C)C
1609329	6.013309669	7	7.076035737	5.98671875	NotRecorded	1	7	-1.089316987	CO[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C1C6(C)C)C
1609331	6.38169478	8	6.801667998	6.08253125	NotRecorded	1	8	-0.719136748	CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccn7)C(=C([C@@H](OC(=O)N(C)C)C(=O)[C@]13C)C6(C)C)C
1609334	6.283819816	8	6.104567655	5.86615625	NotRecorded	1	8	-0.238411405	CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C1C6(C)C)C)OC(=O)N(C)C
1609335	6.426234878	8	5.870081607	6.08253125	NotRecorded	1	8	0.212449643	CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccn7)C(=C1C6(C)C)C)OC(=O)N(C)C
1610643	5.989175223	21	7.613037875	6.07786335	NotRecorded, Tubulin	2	21	-1.535174524	COc1cc(cc(OC)c1OC)C(=O)c2cc3cc(N)ccc3s2
1615136	5.755841434	9	5.968057044	8.369698382	NotRecorded	1	9	2.401641337	CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSC(C)(C)N2C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSC(C)(C)N3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(=O)[C@@H]7CSC(C)(C)N7C1=O)[C@@H](C)O
1617190	7.871444345	15	6.632693475	6.0011875	NotRecorded	1	15	-0.631505975	CCOCCO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OCCOCC)C(=O)[C@]13C)C5(C)C)C
1617193	6.380751613	14	7.240033241	5.909	NotRecorded	1	14	-1.331033241	COCO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OCOC)C(=O)[C@]13C)C5(C)C)C
1620915	4.698970004	4	4.51751019	7.060576172	NotRecorded	1	4	2.543065982	CCCN(C(=O)C1=CC(C)(C)N([O])C1(C)C)C2(CCCCC2)C(=O)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@H](c5cc(OC)c(OC)c(OC)c5)c6cc7OCOc7cc36
1620917	4.698970004	4	3.067166131	5.86790625	NotRecorded	1	4	2.800740119	CCCC(N(CCC)C(=O)C1=CC(C)(C)N([O])C(C)(C)C1)C(=O)N[C@H]2[C@H]3COC(=O)[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)c5cc6OCOc6cc25
1620921	5.1	4	6.251993333	7.254234375	NotRecorded	1	4	1.002241042	CCCC(OC(=O)C1=CC(C)(C)N([O])C1(C)C)C(=O)N[C@H]2[C@H]3COC(=O)[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)c5cc6OCOc6cc25
1620923	6.17	4	6.785394609	6.279683036	NotRecorded	1	4	-0.505711573	COc1ccc(cc1)C(OC(=O)C2=CC(C)(C)N([O])C2(C)C)C(=O)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@H](c5cc(OC)c(OC)c(OC)c5)c6cc7OCOc7cc36
1620926	5.835	4	6.337789557	7.2174375	NotRecorded	1	4	0.879647943	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NC(=O)C(OC(=O)C4=CC(C)(C)N([O])C4(C)C)c5ccc6OCOc6c5)c7cc8OCOc8cc27
1620929	5.0225	4	4.280884592	6.860294922	NotRecorded	1	4	2.57941033	CCCC(N(C1CCCCC1)C(=O)C2=CC(C)(C)N([O])C2(C)C)C(=O)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@H](c5cc(OC)c(OC)c(OC)c5)c6cc7OCOc7cc36
1620930	5.0725	4	6.209287582	6.487357422	NotRecorded	1	4	0.27806984	CCCC(N(C(=O)C1=CC(C)(C)N([O])C1(C)C)c2ccccc2)C(=O)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@H](c5cc(OC)c(OC)c(OC)c5)c6cc7OCOc7cc36
1620931	5.2125	4	6.505779517	6.513212333	NotRecorded	1	4	0.007432816	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NC(=O)C(N(C(=O)C4CC(C)(C)N([O])C(C)(C)C4)c5ccccc5)c6ccccc6)c7cc8OCOc8cc27
1625315	4.032857143	7	4.554386755	6.713392857	NotRecorded	1	7	2.159006102	Cc1ccc2C(=O)c3cccc(CC(=O)Nc4ccc(c(c4)C(F)(F)F)[N+](=O)[O-])c3Oc2c1C
1627588	6.1	15	4.269697165	6.27618006	Sodium/potassium-transporting ATPase	1	15	2.006482894	C[C@]12CC\C(=N/OCCCN)\C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O
1672288	5.198199919	4	3.644661469	7.529151786	NotRecorded	1	4	3.884490317	CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)C(C)OC(=O)[C@@H](NC(=O)C3CC(=O)CCN3C(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H]5CCCN5C1=O)c6ccccc6
1673979	4.735472699	10	5.510204358	8.338508929	NotRecorded	1	10	2.82830457	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
1674279	4.411824179	8	4.02262091	6.134803571	NotRecorded	1	8	2.112182662	COc1ccc(cc1OC)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2
1674708	4.818270124	10	3.398642265	6.445332969	NotRecorded, Nuclear factor erythroid 2-related factor 2	2	10	3.046690704	CC(CN(CCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO)OCCO
1676664	4.945944228	7	4.279618494	7.72553125	NotRecorded	1	7	3.445912756	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@@H]([C@H]4C)[C@]1(C)O
1684978	5.567947677	18	4.203111127	7.299357143	Ataxin-2, Geminin, Hypoxia-inducible factor 1 alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Rap guanine nucleotide exchange factor 3	7	18	3.096246016	CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
1685365	5.394050722	7	3.965938317	6.162444356	ATPase family AAA domain-containing protein 5, Cruzipain, DNA-(apurinic or apyrimidinic site) lyase, Inositol monophosphatase 1, NotRecorded	5	7	2.196506039	CC1(C)Oc2ccc3C=CC(=O)Oc3c2C(=C1O)\C=N\CC\N=C\C4=C(O)C(C)(C)Oc5ccc6C=CC(=O)Oc6c45
1698175	5.238708496	14	4.348087223	5.99708285	Ataxin-2, Chromobox protein homolog 1, Geminin, Glycoprotein hormones alpha chain, Lysosomal alpha-glucosidase, NotRecorded, Nuclear receptor ROR-gamma	7	14	1.648995627	CCOc1cc(\C=N\Nc2nc(nc(n2)N3CCCCC3)N4CCCCC4)ccc1OC(=O)c5occc5
1703624	4.979192417	7	3.966033774	5.768069005	ATPase family AAA domain-containing protein 5, Beta-lactamase AmpC, DNA polymerase iota, NotRecorded, Prelamin-A/C	5	7	1.802035231	[O-][N+](=O)c1cccc(\C=N\Nc2nc(nc(n2)N3CCOCC3)N4CCOCC4)c1
1725221	7.476184875	10	5.051836929	5.961710268	NotRecorded, Nuclear factor NF-kappa-B complex, Proteasome Macropain subunit, Proteasome Macropain subunit MB1, Proteasome component C5	5	10	0.909873339	CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc3ccncc3)C(=O)NCc4ccccc4Cl
1726216	5.510188313	38	7.01382128	6.330689328	NotRecorded, Tubulin	2	38	-0.683131951	COc1ccc(cc1)S(=O)(=O)N2CCc3cccc(c4ccncc4)c23
1726220	5.411428632	38	6.564218594	6.386346029	NotRecorded, Tubulin	2	38	-0.177872565	COc1ccc(cc1)S(=O)(=O)N2CCc3cccc(c4occc4)c23
1732225	4.483416269	6	4.825891408	6.438526786	NotRecorded	1	6	1.612635377	CC(=O)OC[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC6=NC(C)(C)N=C6C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C
1736410	7.077931034	58	7.118426647	7.808455819	26S proteosome, NotRecorded	2	58	0.690029172	CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736411	6.346170523	87	5.52008527	7.650918262	26S proteosome, Cathepsin B, Cathepsin G, Lysosomal protective protein, NotRecorded, Proteasome Macropain subunit MB1, Proteasome subunit beta type-8	7	87	2.130832992	CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736412	6.967068966	58	7.270872884	8.15325	26S proteosome, NotRecorded	2	58	0.882377116	CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736413	7.013275862	58	7.358218105	8.230635622	26S proteosome, NotRecorded	2	58	0.872417517	CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736414	6.986206897	58	7.358218105	8.220061864	26S proteosome, NotRecorded	2	58	0.861843759	CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736415	7.084827586	58	7.358218105	8.230635622	26S proteosome, NotRecorded	2	58	0.872417517	CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736416	6.614137931	58	7.270872884	8.087419237	26S proteosome, NotRecorded	2	58	0.816546354	CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)c3cc(Cl)ccc3Cl)B4O[C@@H]5C[C@@H]6C[C@@H](C6(C)C)[C@]5(C)O4
1736417	6.862931034	58	7.270872884	8.230635622	26S proteosome, NotRecorded	2	58	0.959762738	CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)c3ccccc3)B4O[C@@H]5C[C@@H]6C[C@@H](C6(C)C)[C@]5(C)O4
1736418	6.78	58	7.238542006	8.097992996	26S proteosome, NotRecorded	2	58	0.85945099	CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)c3cnccn3)B4O[C@@H]5C[C@@H]6C[C@@H](C6(C)C)[C@]5(C)O4
1736419	6.377068966	58	7.270872884	8.220061864	26S proteosome, NotRecorded	2	58	0.94918898	CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)c3cccc(n3)c4ccccc4)B5O[C@@H]6C[C@@H]7C[C@@H](C7(C)C)[C@]6(C)O5
1736420	6.179827586	58	7.358218105	8.156115493	26S proteosome, NotRecorded	2	58	0.797897388	CNC(=O)C[C@H](NC(=O)C)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
1736421	6.293440105	87	5.497518233	7.710765054	26S proteosome, Cathepsin B, Cathepsin G, Lysosomal protective protein, NotRecorded, Proteasome Macropain subunit MB1, Proteasome subunit beta type-8	7	87	2.213246822	CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCCCOCc1ccccc1)NC(=O)C)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2
1736422	8.0595	20	7.270190681	8.377668304	26S proteosome, NotRecorded	2	20	1.107477623	CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B(O)O
1736730	5.558333333	6	4.913055083	4.706497476	NotRecorded	1	6	-0.206557607	CC(C)(C)[Si](C)(C)OCCN1C[C@]2(C)CCC[C@@]3(C1)[C@@H]4C[C@@H]5CC[C@]4(C(=O)C5=C)C(=O)C(=C)[C@H]23
1746900	5.136	5	3.584822907	6.57578125	NotRecorded	1	5	2.990958343	C[C@@]1(CO[C@@]2(C1)OC(=O)[C@@H]([C@H]2O)[C@@H]3CC[C@]45C[C@]34C=C[C@@H]6[C@@]7(C)CC=C8C[C@H](OC[C@]8(C)[C@@H]7CC(=O)[C@@]56C)c9ccccc9)OC(=O)C[C@@H](O)c%10ccc(O)cc%10
1749545	7.07	4	6.288587031	7.23530506	NotRecorded	1	4	0.946718029	CCOC(=O)\C(=C\[C@@H](NC(=O)[C@@H](NC(=O)\C(=C\c1cccc(OC)c1)\NC(=O)C)C(C)(C)C)C(C)C)\C
1749546	6.57024772	4	5.045092379	7.626795759	NotRecorded	1	4	2.58170338	CCOC(=O)\C(=C\[C@@H](NC(=O)[C@@H](NC(=O)\C(=C\c1ccc(OC)cc1)\NC(=O)C)C(C)(C)C)C(C)C)\C
1749607	4.806	5	5.217035539	6.407875	NotRecorded	1	5	1.190839461	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NC(=O)c4cnccn4)c5cc6OCOc6cc25
1749609	5.158	5	4.296347102	7.797794643	NotRecorded	1	5	3.501447541	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NC(=O)Cn4cnc5N(C)C(=O)N(C)C(=O)c45)c6cc7OCOc7cc26
1750168	6.989277994	18	5.250290856	5.978265625	NotRecorded, Sodium/potassium-transporting ATPase	2	18	0.727974769	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)O[C@@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]6O
1758299	4.9075	4	4.898159285	6.770939566	NotRecorded	1	4	1.872780281	NC1=NC(=CC(=O)N1Cc2cn(nn2)c3n[nH]c4nc(ccc34)C(F)(F)F)C(F)(F)F
1763302	6.778333333	6	6.531596897	7.666633929	NotRecorded	1	6	1.135037032	CO[C@@H]1CO[C@@H](Oc2c3COC(=O)c3c(c4ccc5OCOc5c4)c6cc(OC)c(OC)cc26)[C@H](O[C@@H]7O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]7OC(=O)C)[C@H]1OC
1778904	5.44528511	6	5.833719475	4.861083209	NotRecorded, Tubulin	2	6	-0.972636266	Oc1ccc(\C=C\C(=O)N2CCN(CC2)c3ccccc3)cc1O
1782716	5.791736518	25	2.130972279	5.954565476	NotRecorded, Tubulin	2	25	3.823593197	COc1cc(cc(OC)c1OC)C(=O)n2nc(Nc3cccc(C)c3)nc2N
1782731	5.426538082	31	6.163943534	5.807845514	NotRecorded, Tubulin	2	31	-0.35609802	COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3cccc(Cl)c3
1782733	5.770046559	31	7.299538783	6.118030582	NotRecorded, Tubulin	2	31	-1.181508201	COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3ccccc3F
1782736	5.399911375	31	7.435311512	5.856746308	NotRecorded, Tubulin	2	31	-1.578565204	COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3cccc(F)c3
1782739	5.05	15	6.304402633	6.485	Tubulin	1	15	0.180597367	COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3cccc(c3)[N+](=O)[O-]
1782741	5.17	15	5.862675683	7.020625	Tubulin	1	15	1.157949317	COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3ccccc3N
1782753	5.846165063	31	6.580987625	5.938826953	NotRecorded, Tubulin	2	31	-0.642160673	COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3cccc(C)c3
1782760	5.56269074	31	6.778096801	5.957515169	NotRecorded, Tubulin	2	31	-0.820581632	COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3ccccc3O
1786425	5.438333333	6	3.76498377	5.860252083	NotRecorded	1	6	2.095268313	CO[C@H]1O[C@H](OC)C(=C1)[C@@H]2C[C@H]3O[C@@]34[C@@]2(C)C[C@H](O)[C@@H]5[C@@]6(C)C=CC(=O)C(C)(C)C6=C(O)C(=O)[C@@]45C
1790004	5.298939072	7	4.1622095	5.969232143	NotRecorded, Tubulin	2	7	1.807022643	[O-][N+](=O)c1ccccc1\C=C/c2ncc([N+](=O)[O-])n2CCOC(=O)c3c[nH]c4ccccc34
1792427	3.595851488	10	4.400756769	7.89703125	NotRecorded	1	10	3.496274481	CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@@H]3O[C@@H](O[C@@]4(C(=O)C[C@@](C)(O[C@]14C)C=C)[C@]23C)c5cccs5
1792432	4.721337152	10	5.364085153	4.59780625	NotRecorded	1	10	-0.766278903	CC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@@]23O[C@H](O[C@H]4CCC(C)(C)[C@H]1[C@@]34C)c5ccccc5)C=C
1793559	5.195555556	36	6.836868683	6.671673026	NotRecorded, Tubulin	2	36	-0.165195657	COC(=O)Nc1nc2cc([Se]c3c[nH]c4ccccc34)ccc2[nH]1
1795692	6.9975	4	4.658358517	5.86790625	NotRecorded	1	4	1.209547733	CCCCS(=O)(=O)\N=C(/CCOC1CC(C)(C)N([O])C(C)(C)C1)\NCC(=O)O[C@]2(CC)C(=O)OCC3=C2C=C4N(Cc5cc6ccccc6nc45)C3=O
1795693	6.91	4	6.836222857	6.159433036	NotRecorded	1	4	-0.676789822	CC[C@@]1(OC(=O)CN\C(=N\S(=O)(=O)c2ccc(OC)cc2)\CCOC3CC(C)(C)N([O])C(C)(C)C3)C(=O)OCC4=C1C=C5N(Cc6cc7ccccc7nc56)C4=O
1795696	7.1525	4	6.598344926	6.043995536	NotRecorded	1	4	-0.55434939	CC[C@@]1(OC(=O)CN\C(=N\S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])\CCOC3CC(C)(C)N([O])C(C)(C)C3)C(=O)OCC4=C1C=C5N(Cc6cc7ccccc7nc56)C4=O
1795700	6.3125	4	5.46335163	5.90103125	NotRecorded	1	4	0.43767962	CC[C@@]1(OC(=O)CN\C(=N\S(=O)(=O)c2ccc3ccccc3c2)\CCOC4CC(C)(C)N([O])C(C)(C)C4)C(=O)OCC5=C1C=C6N(Cc7cc8ccccc8nc67)C5=O
1795705	6.875	4	6.056131131	6.203651786	NotRecorded	1	4	0.147520655	CC[C@@]1(OC(=O)CN\C(=N\S(=O)(=O)c2ccc(OC)cc2)\CCOCC3=CC(C)(C)N([O])C3(C)C)C(=O)OCC4=C1C=C5N(Cc6cc7ccccc7nc56)C4=O
1795735	5.328333333	6	5.620335018	6.6045	NotRecorded	1	6	0.984164982	COc1ccc(cc1)S(=O)(=O)CCOP(=O)(OCCS(=O)(=O)c2ccc(OC)cc2)OC[C@H]3O[C@H](C[C@@H]3N=[N+]=[N-])N4C=C(C)C(=O)NC4=O
1795737	4.606	5	5.973830517	6.6045	NotRecorded	1	5	0.630669483	CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(OCCS(=O)(=O)c3ccc(cc3)[N+](=O)[O-])OCCS(=O)(=O)c4ccc(cc4)[N+](=O)[O-])O2)C(=O)NC1=O
1795741	4.52	5	4.859413834	6.80603125	NotRecorded	1	5	1.946617416	CC(OP(=O)(OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])N2C=C(C)C(=O)NC2=O)OC(C)C(C)S(=O)(=O)c3ccccc3)C(C)S(=O)(=O)c4ccccc4
1796983	4.616470588	17	6.396394791	6.480391662	NotRecorded, Tubulin	2	17	0.08399687	COc1cc(cc(OC)c1OC)C(=O)\C=C\c2ccc(B(O)O)c(OC)c2
1797035	5.027647059	17	6.396394791	6.893123719	NotRecorded, Tubulin	2	17	0.496728928	COc1cc(OC)cc(\C=C/c2ccc(OC)c(c2)B(O)O)c1
1797536	5.217898612	7	5.161103828	6.968513393	NotRecorded	1	7	1.807409565	CO[C@@H]1C[C@@H](CC[C@@H]1O)C=C(C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C[C@@H](CC=C)C(=O)C[C@H](O)[C@@H]2C)C)OC)[C@H](C[C@@H]4C)OC
1797539	5.414990335	23	4.780701688	8.27778125	NotRecorded	1	23	3.497079562	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
1797625	4.970288151	28	4.938684917	7.5325625	78 kDa glucose-regulated protein, ATPase family AAA domain-containing protein 5, Ataxin-2, DNA polymerase III, Dopamine D1 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Niemann-Pick C1 protein, NotRecorded, Nuclear factor erythroid 2-related factor 2, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Ras-related protein Rab-9A, Regulator of G-protein signaling 4, Serine/threonine-protein kinase mTOR, Thioredoxin reductase 1- cytoplasmic, Ubiquitin carboxyl-terminal hydrolase 1	15	28	2.593877583	CC[C@@H](C)[C@H]1O[C@]2(CC[C@H]1C)C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2
1797635	7.388333333	90	5.255731026	5.954203125	Sodium/potassium-transporting ATPase	1	90	0.698472099	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O
1798138	8	5	6.624934001	6.142098214	NotRecorded	1	5	-0.482835786	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)C(=O)[C@H]3O[C@@H]3c4ccccc4)cc1
1798139	8.228	5	7.896144046	7.315191964	NotRecorded	1	5	-0.580952082	COc1ccc(C[C@H]2NC(=O)\C=C\C[C@@H](C[C@H]3O[C@@H]3c4ccccc4)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1799223	5.112293369	11	4.097420024	8.403116071	Alpha-synuclein, DNA polymerase iota, DNA polymerase kappa, Eyes absent homolog 2, Flap endonuclease 1, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2	8	11	4.305696047	CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(O)cc5S(=O)(=O)O
1799685	4.815777056	9	2.727360939	5.761701389	Ataxin-2, Cerebroside-sulfatase, Chromobox protein homolog 1, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Regulator of G-protein signaling 4, Thioredoxin reductase 1- cytoplasmic	8	9	3.03434045	NC(=S)c1ccc[n+](c1)[C@@H]2O[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@H]([C@H](OP(=O)(O)O)[C@@H]3O)n4cnc5c(N)ncnc45)C(O)C2O
1817016	5.224	5	6.126796301	7.472625	NotRecorded	1	5	1.345828699	CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](O)C(=O)[C@@H]4C(C)(C)[C@H](C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)OC(=O)C)C5=C2CC[C@]6(O5)[C@@H]7C[C@H](OC(=O)C)[C@H]8[C@]9(C)[C@H](C[C@H](O)C(C)(C)[C@H]9C(=O)[C@H](OC(=O)C)[C@]8(C7)C6=O)OC(=O)C
1817017	5	5	6.126796301	7.472625	NotRecorded	1	5	1.345828699	CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](OC(=O)C)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C5=C2CC[C@]6(O5)[C@@H]7C[C@H](OC(=O)C)[C@H]8[C@]9(C)[C@H](C[C@H](OC(=O)C)C(C)(C)[C@H]9C(=O)[C@H](O)[C@]8(C7)C6=O)OC(=O)C
1817018	5	5	4.109556901	7.626460938	NotRecorded	1	5	3.516904037	CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C5=C2CC[C@]6(O5)[C@@H]7C[C@H](OC(=O)C)[C@H]8[C@]9(C)[C@H](C[C@H](O)C(C)(C)[C@H]9C(=O)[C@H](O)[C@]8(C7)C6=O)OC(=O)C
1817019	5	5	5.735004352	8.291977679	NotRecorded	1	5	2.556973327	CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](OC(=O)C)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C(=O)[C@]25CCC6=C(O5)[C@]78C[C@H]6CC(=O)[C@H]7[C@]9(C)[C@@H](O)C[C@H](OC(=O)C)C(C)(C)[C@H]9C(=O)C8
1817021	5	5	4.884598469	6.2048125	NotRecorded	1	5	1.320214031	CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C(=O)[C@H]2C[C@@]5(CO)[C@@H]6C[C@H](OC(=O)C)[C@H]7[C@]8(C)[C@H](C[C@H](O)C(C)(C)[C@H]8C(=O)[C@H](O)[C@]7(C6)C5=O)OC(=O)C
1817026	5	5	6.070084203	7.472625	NotRecorded	1	5	1.402540797	CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C(=O)[C@@]25CC[C@@]56[C@@H]7C[C@H](OC(=O)C)[C@H]8[C@]9(C)[C@H](C[C@H](OC(=O)C)C(C)(C)[C@H]9C(=O)[C@H](OC(=O)C)[C@]8(C7)C6=O)OC(=O)C
1817027	5	5	3.628447438	6.64178125	NotRecorded	1	5	3.013333812	CC(=O)O[C@H]1C[C@@H]2C[C@@]3(CC(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C(=O)[C@]25CC[C@]56[C@@H]7C[C@H](OC(=O)C)[C@H]8[C@]9(C)[C@H](C[C@H](O)C(C)(C)[C@H]9C(=O)[C@H](OC(=O)C)[C@]8(C7)C6=O)OC(=O)C
1819107	2	5	2.302242722	6.060111607	NotRecorded	1	5	3.757868885	CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@H](Cc7ccccc7)NC1=O
1819962	5.53245283	53	7.481018237	5.545005054	NotRecorded, Tubulin	2	53	-1.936013183	COc1ccc(\C=C\C(=O)c2cc3SCOc3cc2OC)cc1
1824178	5.333412328	23	5.637142857	5.573355396	NotRecorded, Tubulin	2	23	-0.063787461	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C#CC)c4cc5OCOc5cc24
1825939	5.877379358	27	4.882883943	6.88796875	Androgen Receptor, NotRecorded	2	27	2.005084807	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@@H](CC[C@@H]7[C@@H]6CC[C@]8(C)[C@H]([C@@H](O)C[C@]78O)C9=CC(=O)OC9)C5
1826897	5.935384615	26	4.788458333	5.020317102	NotRecorded, Tubulin	2	26	0.231858768	COc1ccc(\C=C\C(=O)c2ccccc2c3cccc(F)c3)cc1
1830096	5.431470907	11	4.277841393	6.382417614	NotRecorded	1	11	2.10457622	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@]4(C)[C@@H]2[C@H](OC(=O)c5ccccc5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](O)C4=O)C6(C)C)C
1830097	5.087487268	11	4.918875138	6.244207386	NotRecorded	1	11	1.325332248	C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c7ccccc7
1830098	5.466203633	11	4.724088419	6.634636364	NotRecorded	1	11	1.910547944	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O
1830101	4.666578177	11	4.654859695	7.589107143	NotRecorded, P-glycoprotein 1	2	11	2.934247448	CC(=O)O[C@H]1C[C@H](OC\C=C\c2ccccc2)C(=C)[C@H]3[C@H](OC(=O)C)[C@@H]4CC(=O)[C@@]5(C)OC[C@@]4(C)[C@@]5(O)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@]13OC(=O)c6ccccc6
1832295	6.7025	4	6.535233333	6.620483705	DNA topoisomerase I, NotRecorded	2	4	0.085250372	CC[C@@]1(O)[C@H](OC)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccccc5c4c6ccncc6)C2=O
1835454	5.807777778	9	5.936016751	5.180349802	NotRecorded, Tubulin	2	9	-0.75566695	Fc1ccc(\C=C\C(=O)Nc2cc([nH]n2)c3ccccc3)cc1
1835457	5.871111111	9	7.628047306	5.763331349	NotRecorded, Tubulin	2	9	-1.864715957	COc1ccc(\C=C/C(=O)Nc2cc([nH]n2)c3ccccc3)cc1
1835470	5.786666667	9	4.897679991	5.345914352	NotRecorded, Tubulin	2	9	0.448234361	Cc1ccc(cc1)c2cc(NC(=O)\C=C\c3ccc(F)cc3)n[nH]2
1835472	5.563333333	9	4.628929991	5.67178125	NotRecorded, Tubulin	2	9	1.042851259	Cc1ccc(\C=C\C(=O)Nc2cc([nH]n2)c3ccc(C)cc3)cc1
1835832	4.6650189	8	4.991899456	4.636834821	NotRecorded, Tubulin	2	8	-0.355064635	COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4ccccc34)[nH]n2
1835833	5.181700171	11	5.318878901	3.817307224	NotRecorded, Tubulin	2	11	-1.501571676	COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4ccc(Cl)cc34)[nH]n2
1835834	5.338195016	11	5.388020833	4.248753247	NotRecorded, Tubulin	2	11	-1.139267587	COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4cc(Cl)ccc34)[nH]n2
1835835	5.099114732	10	5.682927785	3.435854911	NotRecorded, Tubulin	2	10	-2.247072874	COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4ccc(OC)cc34)[nH]n2
1835838	4.660597498	7	4.6276875	4.523071216	NotRecorded, Tubulin	2	7	-0.104616284	COc1cc(cc(OC)c1OC)c2cc(\C=C\3/C(=O)Nc4ccccc34)[nH]n2
1835839	4.583545213	7	4.662404111	4.697142645	NotRecorded, Tubulin	2	7	0.034738533	COc1ccc(cc1OC)c2cc(\C=C\3/C(=O)Nc4ccccc34)[nH]n2
1835840	4.644749986	7	4.7759375	4.205145196	NotRecorded, Tubulin	2	7	-0.570792304	COc1ccc(cc1OC)c2cc(\C=C\3/C(=O)Nc4ccc(Cl)cc34)[nH]n2
1835841	4.757230655	7	4.7815625	3.974240434	NotRecorded, Tubulin	2	7	-0.807322066	COc1ccc(cc1OC)c2cc(\C=C\3/C(=O)Nc4cc(Cl)ccc34)[nH]n2
1835842	4.662403311	7	4.6451875	4.523071216	NotRecorded, Tubulin	2	7	-0.122116284	COc1ccc2NC(=O)\C(=C/c3cc(n[nH]3)c4ccc(OC)c(OC)c4)\c2c1
1835847	4.679721142	7	4.676	4.33309949	NotRecorded, Tubulin	2	7	-0.34290051	[O-][N+](=O)c1ccc2NC(=O)\C(=C/c3cc(n[nH]3)c4ccc5OCOc5c4)\c2c1
1835848	4.797985142	7	5.15336613	3.823233418	NotRecorded, Tubulin	2	7	-1.330132711	Clc1ccc2\C(=C\c3cc(n[nH]3)c4ccc5OCOc5c4)\C(=O)Nc2c1
1835849	4.542382269	7	4.620401674	3.669873087	NotRecorded, Tubulin	2	7	-0.950528587	Clc1ccc2NC(=O)\C(=C/c3cc(n[nH]3)c4ccc5OCOc5c4)\c2c1
1835850	4.818922323	7	4.70275	4.44897449	NotRecorded, Tubulin	2	7	-0.25377551	COc1ccc2NC(=O)\C(=C/c3cc(n[nH]3)c4ccc5OCOc5c4)\c2c1
1835852	4.578025711	7	4.56513908	4.802869898	NotRecorded, Tubulin	2	7	0.237730818	COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4ccc(F)cc34)[nH]n2
1840778	6.115697004	5	5.626789762	6.7096875	NotRecorded	1	5	1.082897738	CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C4[C@@]3(C)CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)C(=O)N6CCC[C@H]6C(=O)OCC#CCOc7no[n+]([O-])c7S(=O)(=O)c8ccccc8
1840782	6.155697004	5	3.829556502	5.93590625	NotRecorded	1	5	2.106349748	CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C4[C@@]3(C)CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)C(=O)NCC(=O)OCCCCOc6no[n+]([O-])c6S(=O)(=O)c7ccccc7
1841831	7.235261703	10	6.135396947	6.990072321	DNA topoisomerase I, NotRecorded, Tyrosyl-DNA phosphodiesterase 1	3	10	0.854675375	Br.COc1cc2C3=C(C(=O)c2cc1O)c4ccc(cc4C(=O)N3CCCn5ccnc5)[N+](=O)[O-]
1841834	6.753761024	10	7.300527149	7.087352679	DNA topoisomerase I, NotRecorded, Tyrosyl-DNA phosphodiesterase 1	3	10	-0.21317447	Br.COc1cc2C(=O)C3=C(N(CCCn4ccnc4)C(=O)c5cc(ccc35)[N+](=O)[O-])c2cc1O
1841862	2	5	4.758383687	5.263083036	NotRecorded	1	5	0.504699348	CC1(C)CC[C@H](O)[C@]23C=N[C@@](O)([C@@H](O)[C@H]12)[C@H]4C[C@H]5C[C@H](OC(=O)C5=C)[C@@H]34
1843384	5.193333333	6	5.207237396	6.3983125	NotRecorded, Tubulin	2	6	1.191075104	COc1cc(cc(OC)c1OC)C(=O)N2N=C(CC2c3ccc4OCOc4c3)c5cccc(C)c5
1843391	4.945	6	3.352027557	5.064375	NotRecorded, Tubulin	2	6	1.712347443	COc1cc(cc(OC)c1OC)C2=NN(C(C2)c3ccc4OCOc4c3)C(=O)c5ccc(Br)cc5
1927101	6.366221114	1357	3.888769209	8.612189283	Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, Growth hormone-releasing hormone receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Serum albumin, Sigma opioid receptor, Thromboxane-A synthase, Tubulin, Tubulin alpha chain, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor	109	1357	4.723420074	O.O.O.CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
1942240	5.338516684	17	5.091862265	7.110354167	NotRecorded	1	17	2.018491901	COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C
1946743	4.4544782	17	5.027932774	6.510708876	NotRecorded, Tubulin	2	17	1.482776102	COc1cc(cc(OC)c1O)c2nc3cnccn3c2Nc4cc(OC)c(OC)c(OC)c4
1946752	4.268789307	17	5.972924676	5.470016544	NotRecorded, Tubulin	2	17	-0.502908132	COc1ccc(Nc2c(nc3ncccn23)c4ccc(OC)c(O)c4)cc1
1947636	4.599588002	5	5.651131248	6.47603125	NotRecorded	1	5	0.824900002	CC(=CC[C@]12C[C@@H]3[C@@H]4[C@@H](O)C(C)(C)[C@H](CC4(C1=O)C(=O)[C@](C(=O)c5ccccc5)(C2=O)C3(C)C)C(C)(C)O)C
1948747	5.273173898	9	5.446303527	6.846601365	NotRecorded	1	9	1.400297838	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OCCSSCCOC(=O)[C@@H]6CCCN6)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C1C5(C)C)C
1950609	4.734037935	11	5.213375	6.004307292	NotRecorded, Tubulin	2	11	0.790932292	COC(=O)c1nnnn1[C@H]2[C@H]3COC(=O)[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)c5cc6OCOc6cc25
1956048	6.122	5	6.867079014	8.288592302	NotRecorded	1	5	1.421513288	[Na+].[Na+].CC(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@H](CC[C@]45C)O[C@@H]6OC[C@@H](OS(=O)(=O)[O-])[C@H](O)[C@H]6O[C@H]7O[C@H](C)[C@H](O[C@@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@]2(C)CC(=O)[C@H]13
1956049	5.886	5	5.959233754	8.001247634	NotRecorded	1	5	2.042013881	[Na+].[Na+].C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](CO[C@H]2O[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]5C4=CC[C@]67[C@H](C(=O)C[C@@]56C)[C@](C)(CCCC(=C)C)OC7=O)C3(C)C)OS(=O)(=O)[O-])[C@H](O)[C@@H](O)[C@H]1O[C@@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]8O
1956052	6.264	5	5.861287035	8.288592302	NotRecorded	1	5	2.427305267	[Na+].CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO[C@H]4O[C@H]5CC[C@]6(C)[C@H]7CC[C@]89[C@H]([C@H](C[C@@]8(C)C7=CC[C@H]6C5(C)C)OC(=O)C)[C@](C)(CCC=C(C)C)OC9=O)OS(=O)(=O)[O-])[C@H](O)[C@H]3O)[C@@H]2O)[C@@H]1O
1957236	5.672705669	50	6.544725332	6.114866085	NotRecorded, Tubulin	2	50	-0.429859247	COc1ccc2N(CCCc2c1)c3nc(NCCCO)nc4ccccc34
1957238	5.038281321	34	6.047776523	6.226548916	NotRecorded, Tubulin	2	34	0.178772393	COc1ccc2N(CCCc2c1)c3nc(NC4CCCC4)nc5ccccc35
1963804	4.551354245	7	5.922691238	5.868026786	NotRecorded	1	7	-0.054664452	CO[C@@H]1C[C@@H](C)C[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@H](C[C@@H](O)[C@]56O)C7=CC(=O)OC7)[C@]4(C[C@H]3O[C@@]12O)C=O
1963805	4.332782816	7	4.484254138	6.534248087	NotRecorded	1	7	2.049993949	C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](C[C@@H](O)[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2C1
1963806	4.569925673	7	5.948282945	5.976737883	NotRecorded	1	7	0.028454938	C[C@H]1C[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)[C@]4(C[C@H]3O[C@@]2(O)[C@H](O)[C@@H]1O)C=O
1963807	4.42706853	7	4.453710349	6.408553571	NotRecorded	1	7	1.954843223	C[C@H]1C[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@H](C[C@@H](O)[C@]56O)C7=CC(=O)OC7)[C@]4(C[C@H]3O[C@@]2(O)[C@]8(C1)SCC=N8)C=O
1965526	5.22	5	5.185505961	5.920385417	Lysine-specific demethylase 4C, Lysine-specific demethylase 4D-like, Lysine-specific demethylase 6B	3	5	0.734879456	ON(CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1)CC(=O)\C=C\C(=O)O
1967291	5.945649535	18	5.694678938	5.034017072	NotRecorded, Tubulin	2	18	-0.660661866	OCCn1ccc2c3C(=O)C=C(Nc3ccc12)c4ccccc4
1967301	6.820212319	18	6.609651407	5.139764137	NotRecorded, Tubulin	2	18	-1.469887271	OCCCn1ccc2c3C(=O)C=C(Nc3ccc12)c4ccccc4
1970346	4.253591224	5	4.624019997	6.067171429	DNA topoisomerase I, DNA topoisomerase II alpha, NotRecorded	3	5	1.443151431	Cc1ccc2N=C(NC(=O)c2c1)c3cccc4ccccc34
1970602	4.0975	4	5.382499365	6.120227679	NotRecorded	1	4	0.737728313	COc1cc(cc(OC)c1OC)c2nnc3SC(C(Nn23)c4occc4)C(=O)c5occc5
2039007	7.9775	4	6.19179388	7.10440625	NotRecorded	1	4	0.91261237	Cl.CC[C@]1(O)CC2=C(COC1=O)C(=O)N3CC4=C(CN5CCC(C)CC5)C6C=C(C)C(=CC6N=C4C3=C2)Cl

And a few structures corresponding to most active compounds