macrolactone-toolkit/data/MacrolactoneDB/ring12_20/processed_embedding_small.csv at main

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lingyuzeng 360cbc487e feat(data): add MacrolactoneDB data directory with ml_id column

- Add MacrolactoneDB filtered datasets
- Add ring12_20 and ring16 subdirectories with processed data
- Add ml_id column as unique identifier (ML00000001 format)

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

2026-03-19 11:43:45 +08:00

381 KiB

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1	IDs	molecule_pref_name	max_pChEMBL	max_pChEMBL_target	# Target Organisms	Target Organisms	# Known Targets	Known Targets	target_pref_name	smiles	molecule_id	ring_num	projection_x	projection_y	neighbors	fingerprint_bits
2	CHEMBL94657	PATUPILONE	10.67	CHEMBL1075590	695	Sus scrofa, Mus musculus, None, Plasmodium falciparum, Homo sapiens, Rattus norvegicus	695	CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHEMBL1075486, CHEMBL614206, CHEMBL2366102, CHEMBL2366199, CHEMBL2366066, CHEMBL614536, CHEMBL2366353, CHEMBL614487, CHEMBL2366227, CHEMBL2366127, CHEMBL614628, CHEMBL614004, CHEMBL2366145, CHEMBL2366252, CHEMBL2366067, CHEMBL1075405, CHEMBL2366089, CHEMBL2366245, CHEMBL2366347, CHEMBL1075464, CHEMBL613503, CHEMBL2366292, CHEMBL614912, CHEMBL613488, CHEMBL1075511, CHEMBL1075426, CHEMBL1075437, CHEMBL2366248, CHEMBL2366148, CHEMBL1075471, CHEMBL614067, CHEMBL2366078, CHEMBL1075568, CHEMBL2366362, CHEMBL1075554, CHEMBL2366183, CHEMBL2366276, CHEMBL614740, CHEMBL2366287, CHEMBL614860, CHEMBL614489, CHEMBL2366202, CHEMBL614901, CHEMBL2366275, CHEMBL1075401, CHEMBL2366303, CHEMBL613835, CHEMBL613977, CHEMBL613870, CHEMBL2366166, CHEMBL612258, CHEMBL613855, CHEMBL1075509, CHEMBL2366195, CHEMBL612517, CHEMBL1075468, CHEMBL2366357, CHEMBL2366323, CHEMBL1075448, CHEMBL614208, CHEMBL614533, CHEMBL614736, CHEMBL614886, CHEMBL1293231, CHEMBL1075397, CHEMBL2366119, CHEMBL614643, CHEMBL614919, CHEMBL2366236, CHEMBL1075602, CHEMBL1075581, CHEMBL614451, CHEMBL1075407, CHEMBL2366360, CHEMBL1075386, CHEMBL2366309, CHEMBL612588, CHEMBL614917, CHEMBL1075485, CHEMBL1075427, CHEMBL2366296, CHEMBL2366188, CHEMBL1075469, CHEMBL2366082, CHEMBL614187, CHEMBL2366075, CHEMBL614279, CHEMBL1075536, CHEMBL2366262, CHEMBL1075494, CHEMBL394, CHEMBL2366217, CHEMBL1075456, CHEMBL2366274, CHEMBL2366144, CHEMBL614099, CHEMBL1075522, CHEMBL614943, CHEMBL2366372, CHEMBL1075488, CHEMBL2366161, CHEMBL2366368, CHEMBL1075477, CHEMBL1075552, CHEMBL614277, CHEMBL3401, CHEMBL1075472, CHEMBL1075413, CHEMBL1075560, CHEMBL2366354, CHEMBL614317, CHEMBL2366200, CHEMBL1075557, CHEMBL1075580, CHEMBL1075523, CHEMBL1075461, CHEMBL2366174, CHEMBL2366291, CHEMBL1075457, CHEMBL614379, CHEMBL614295, CHEMBL1075462, CHEMBL613505, CHEMBL2366176, CHEMBL615010, CHEMBL614075, CHEMBL2366154, CHEMBL614642, CHEMBL2366298, CHEMBL2366327, CHEMBL612250, CHEMBL1075567, CHEMBL1075594, CHEMBL2366118, CHEMBL1075442, CHEMBL1075412, CHEMBL614247, CHEMBL2366213, CHEMBL2366246, CHEMBL2366331, CHEMBL2366101, CHEMBL1075584, CHEMBL1075576, CHEMBL2366191, CHEMBL2366138, CHEMBL2366304, CHEMBL2366141, CHEMBL613508, CHEMBL612569, CHEMBL1075596, CHEMBL2366137, CHEMBL2366173, CHEMBL2366215, CHEMBL614931, CHEMBL614908, CHEMBL614281, CHEMBL1075553, CHEMBL2366175, CHEMBL2366256, CHEMBL2366232, CHEMBL614135, CHEMBL2366356, CHEMBL614610, CHEMBL2366224, CHEMBL1075565, CHEMBL1075531, CHEMBL614509, CHEMBL385, CHEMBL1075453, CHEMBL614645, CHEMBL614567, CHEMBL2366172, CHEMBL1075430, CHEMBL2366072, CHEMBL2366318, CHEMBL2366182, CHEMBL2366238, CHEMBL614145, CHEMBL2366198, CHEMBL2366310, CHEMBL1075482, CHEMBL614387, CHEMBL2366063, CHEMBL2366371, CHEMBL614197, CHEMBL613858, CHEMBL1075587, CHEMBL2366271, CHEMBL614725, CHEMBL2366228, CHEMBL1075530, CHEMBL2366204, CHEMBL1075563, CHEMBL613300, CHEMBL614213, CHEMBL614561, CHEMBL614529, CHEMBL1075532, CHEMBL614514, CHEMBL613984, CHEMBL612542, CHEMBL2366186, CHEMBL1075432, CHEMBL2366061, CHEMBL2366112, CHEMBL1075400, CHEMBL2366322, CHEMBL614286, CHEMBL2366133, CHEMBL2366207, CHEMBL1075454, CHEMBL2366192, CHEMBL614920, CHEMBL614012, CHEMBL2366074, CHEMBL2366264, CHEMBL1075495, CHEMBL1075601, CHEMBL2366279, CHEMBL613531, CHEMBL384, CHEMBL2366258, CHEMBL2366163, CHEMBL2366348, CHEMBL382, CHEMBL614388, CHEMBL2366179, CHEMBL614826, CHEMBL614347, CHEMBL2366239, CHEMBL2366242, CHEMBL2366283, CHEMBL1075533, CHEMBL1075436, CHEMBL1075590, CHEMBL2366160, CHEMBL1075519, CHEMBL1075496, CHEMBL2366284, CHEMBL2366136, CHEMBL2366098, CHEMBL614590, CHEMBL1075415, CHEMBL614913, CHEMBL1075577, CHEMBL614245, CHEMBL395, CHEMBL1075493, CHEMBL614300, CHEMBL2366317, CHEMBL612555, CHEMBL614516, CHEMBL2366130, CHEMBL2366090, CHEMBL1075518, CHEMBL2366358, CHEMBL1075588, CHEMBL2366335, CHEMBL614343, CHEMBL2366311, CHEMBL2366108, CHEMBL1075450, CHEMBL2366218, CHEMBL1075504, CHEMBL2366316, CHEMBL2366297, CHEMBL614805, CHEMBL2366111, CHEMBL1075562, CHEMBL614905, CHEMBL614923, CHEMBL2366208, CHEMBL613998, CHEMBL1075514, CHEMBL1075478, CHEMBL2366272, CHEMBL2366076, CHEMBL613859, CHEMBL1075490, CHEMBL1075516, CHEMBL1075611, CHEMBL614335, CHEMBL390, CHEMBL614144, CHEMBL1075458, CHEMBL1075607, CHEMBL2366219, CHEMBL1075543, CHEMBL2366135, CHEMBL613997, CHEMBL1075409, CHEMBL2366307, CHEMBL2366099, CHEMBL2366263, CHEMBL2366363, CHEMBL1075513, CHEMBL1075414, CHEMBL614584, CHEMBL2366105, CHEMBL612583, CHEMBL2366110, CHEMBL1075500, CHEMBL2366203, CHEMBL613831, CHEMBL1075410, CHEMBL1075479, CHEMBL1075481, CHEMBL1075406, CHEMBL1075467, CHEMBL2366177, CHEMBL2366097, CHEMBL2366359, CHEMBL2366367, CHEMBL612262, CHEMBL2366189, CHEMBL1075545, CHEMBL614997, CHEMBL2366329, CHEMBL614195, CHEMBL1075421, CHEMBL1075570, CHEMBL2366071, CHEMBL614241, CHEMBL1075561, CHEMBL614517, CHEMBL614334, CHEMBL1075393, CHEMBL2366104, CHEMBL2366184, CHEMBL1075428, CHEMBL1075540, CHEMBL2366205, CHEMBL2366147, CHEMBL3879801, CHEMBL614733, CHEMBL2366302, CHEMBL2366229, CHEMBL614051, CHEMBL612799, CHEMBL2366100, CHEMBL2366096, CHEMBL2366243, CHEMBL2366328, CHEMBL614353, CHEMBL1075583, CHEMBL1075534, CHEMBL2366091, CHEMBL612545, CHEMBL2366293, CHEMBL1075396, CHEMBL1075525, CHEMBL1075487, CHEMBL2366320, CHEMBL2366206, CHEMBL2366073, CHEMBL2366261, CHEMBL2366230, CHEMBL614884, CHEMBL2366365, CHEMBL2366257, CHEMBL612796, CHEMBL1075447, CHEMBL2366313, CHEMBL2366351, CHEMBL613102, CHEMBL1075510, CHEMBL1075399, CHEMBL612701, CHEMBL1075573, CHEMBL1075384, CHEMBL2366370, CHEMBL1075598, CHEMBL2366223, CHEMBL614774, CHEMBL614896, CHEMBL612440, CHEMBL1075591, CHEMBL1075455, CHEMBL1075438, CHEMBL614894, CHEMBL2366250, CHEMBL2366294, CHEMBL614140, CHEMBL614066, CHEMBL383, CHEMBL614056, CHEMBL2366132, CHEMBL1075571, CHEMBL2366146, CHEMBL1075395, CHEMBL2366233, CHEMBL1075418, CHEMBL1075541, CHEMBL2366226, CHEMBL1075491, CHEMBL612570, CHEMBL2366341, CHEMBL614107, CHEMBL1075382, CHEMBL2366143, CHEMBL2366241, CHEMBL2366209, CHEMBL612256, CHEMBL614476, CHEMBL1075404, CHEMBL2366301, CHEMBL2366142, CHEMBL2366070, CHEMBL1075466, CHEMBL2366157, CHEMBL2366295, CHEMBL614534, CHEMBL2366337, CHEMBL1075521, CHEMBL614039, CHEMBL2366181, CHEMBL2366120, CHEMBL2366126, CHEMBL2366253, CHEMBL1075465, CHEMBL2366332, CHEMBL2366247, CHEMBL2366222, CHEMBL1075411, CHEMBL2366315, CHEMBL2366159, CHEMBL2366277, CHEMBL2366225, CHEMBL1075475, CHEMBL1075517, CHEMBL614243, CHEMBL2366216, CHEMBL1075425, CHEMBL2366361, CHEMBL2366346, CHEMBL614177, CHEMBL1075431, CHEMBL1075391, CHEMBL2366299, CHEMBL614925, CHEMBL387, CHEMBL614055, CHEMBL613530, CHEMBL2366114, CHEMBL1075586, CHEMBL2366308, CHEMBL614882, CHEMBL2366306, CHEMBL1075439, CHEMBL1075585, CHEMBL2366094, CHEMBL1075537, CHEMBL2366334, CHEMBL1075463, CHEMBL2366201, CHEMBL614535, CHEMBL2366349, CHEMBL614694, CHEMBL614054, CHEMBL2366254, CHEMBL615023, CHEMBL2366319, CHEMBL2366369, CHEMBL614355, CHEMBL1075429, CHEMBL1075499, CHEMBL2366194, CHEMBL1075505, CHEMBL2366131, CHEMBL1075402, CHEMBL2366185, CHEMBL1075416, CHEMBL1075539, CHEMBL2366156, CHEMBL1075592, CHEMBL1075600, CHEMBL1075524, CHEMBL612565, CHEMBL1075483, CHEMBL2366210, CHEMBL2366125, CHEMBL1075444, CHEMBL2366343, CHEMBL2366121, CHEMBL614580, CHEMBL614940, CHEMBL2366281, CHEMBL1075446, CHEMBL1075435, CHEMBL614352, CHEMBL1075575, CHEMBL1075593, CHEMBL2366106, CHEMBL1075555, CHEMBL2366087, CHEMBL2366149, CHEMBL614660, CHEMBL2366273, CHEMBL1075605, CHEMBL2366153, CHEMBL1075610, CHEMBL2366352, CHEMBL2366355, CHEMBL1075574, CHEMBL613868, CHEMBL2366167, CHEMBL614586, CHEMBL2366286, CHEMBL2366081, CHEMBL613854, CHEMBL2366235, CHEMBL1075460, CHEMBL613860, CHEMBL1075422, CHEMBL1075470, CHEMBL614709, CHEMBL2366214, CHEMBL2366084, CHEMBL400, CHEMBL2366170, CHEMBL2366079, CHEMBL614804, CHEMBL614530, CHEMBL614582, CHEMBL2366187, CHEMBL2366326, CHEMBL612566, CHEMBL2366267, CHEMBL614519, CHEMBL614588, CHEMBL2366069, CHEMBL2366251, CHEMBL614587, CHEMBL2366339, CHEMBL1075387, CHEMBL1075579, CHEMBL1075503, CHEMBL2366333, CHEMBL2366190, CHEMBL1075526, CHEMBL2366231, CHEMBL1075606, CHEMBL2366240, CHEMBL2366155, CHEMBL1075535, CHEMBL2366124, CHEMBL1075434, CHEMBL1075398, CHEMBL2366290, CHEMBL613888, CHEMBL614512, CHEMBL2366278, CHEMBL1075564, CHEMBL2366062, CHEMBL614803, CHEMBL614515, CHEMBL612657, CHEMBL1075423, CHEMBL614581, CHEMBL1075544, CHEMBL612815, CHEMBL613509, CHEMBL614354, CHEMBL1075604, CHEMBL1075498, CHEMBL2366123, CHEMBL1075417, CHEMBL1075502, CHEMBL398, CHEMBL364, CHEMBL396, CHEMBL613889, CHEMBL1075558, CHEMBL2366314, CHEMBL2366330, CHEMBL1075515, CHEMBL2366165, CHEMBL2366086, CHEMBL1075383, CHEMBL1075582, CHEMBL612279, CHEMBL2366211, CHEMBL614096, CHEMBL614036, CHEMBL1075433, CHEMBL1075578, CHEMBL614934, CHEMBL1075445, CHEMBL2366312, CHEMBL1075501, CHEMBL2366366, CHEMBL2366280, CHEMBL614949, CHEMBL2146315, CHEMBL2366077, CHEMBL2366221, CHEMBL2366266, CHEMBL2366342, CHEMBL2366116, CHEMBL2366065, CHEMBL614034, CHEMBL1075546, CHEMBL1075566, CHEMBL2366068, CHEMBL1075441, CHEMBL2366092, CHEMBL614454, CHEMBL1075449, CHEMBL614255, CHEMBL614356, CHEMBL612255, CHEMBL1075542, CHEMBL614721, CHEMBL1075538, CHEMBL2366083, CHEMBL614899, CHEMBL1075408, CHEMBL1075595, CHEMBL2366344, CHEMBL2366220, CHEMBL614801, CHEMBL1075392, CHEMBL1075556, CHEMBL612447, CHEMBL2366340, CHEMBL1075489, CHEMBL2366171, CHEMBL2366109, CHEMBL2366305, CHEMBL1075440, CHEMBL614361, CHEMBL615022, CHEMBL1075497, CHEMBL1075547, CHEMBL1075527, CHEMBL2366268, CHEMBL2366178, CHEMBL614879, CHEMBL2366300, CHEMBL2366139, CHEMBL2366115, CHEMBL2366234, CHEMBL1075385, CHEMBL2366152, CHEMBL2366338, CHEMBL614775, CHEMBL614836, CHEMBL612264, CHEMBL1075528, CHEMBL1075459, CHEMBL2366140, CHEMBL2366196, CHEMBL2366373, CHEMBL2366259, CHEMBL612263, CHEMBL1075589, CHEMBL2366193, CHEMBL1075480, CHEMBL2366285, CHEMBL2366169, CHEMBL1075569, CHEMBL1075394, CHEMBL2366265, CHEMBL2366325, CHEMBL1075403, CHEMBL2366093, CHEMBL614916, CHEMBL1075419, CHEMBL2366364, CHEMBL613529, CHEMBL614214, CHEMBL1075612	AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-65, CPC-N, LAN-6, SBC-5, LB2241-RCC, NCI-H1436, TE-1, CaR-1, HuP-T3, BB30-HNC, P30-OHK, SK-MEL-30, C-33-A, RPMI-2650, 8-MG-BA, HPAF-II, EW-7, NCI-H650, DOHH-2, MHH-ES-1, TYK-nu, HT-3, Raji, NCI-H1770, NCI-H82, NCI-H1694, MOLT-16, MS-1, EFO-27, HCC1187, BPH-1, CAL-54, NEC8, Becker, NB13, 8305C, SMMC-7721, CHP-212, GT3TKB, HuCCT-1, MHH-NB-11, MEG-01, A-427, SW756, Plasmodium falciparum, Calu-6, HH, LS-411N, MIA PaCa-2, EVSA-T, MN-60, LB771-HNC, SK-PN-DW, TE-15, IGROV-1, NCCIT, IST-SL2, D-392MG, SW13, NCI-H1651, HTC-C3, EB-3, NCI-H2452, OAW-28, RS4-11, MKN-28, MZ1-PC, SJSA-1, SW780, NCI-H2030, EW-11, NCI-H2342, LN-405, TCC-SUP, NCI-H522, LU-99A, NCI-H727, DU-4475, ES1, DOK, LB1047-RCC, EFE-184, SIG-M5, COLO-824, M059J, NCI-H2087, Unchecked, DBTRG-05MG, NCI-H1299, KMOE-2, GOTO, Nuclear receptor ROR-gamma, COR-L23, MFE-280, NUGC-3, NB1, A498, SU-DHL-1, CAL-85-1, GAMG, CAL-51, UMC-11, NCI-H1734, RCC10RGB, BL-41, TE-8, RT-112, NCI-H810, P12-Ichikawa, TE-9, LXF-289 cell line, IST-MEL1, MFM-223, TE-12, ES7, COLO-829, UACC-62, NCI-H358, SK-NEP-1, WSU-NHL, HCC1569, M14, SW-620, U-118-MG, ESS-1, KB, RPMI-8226, TUR, CAS-1, KOSC-2, CAL-120, CAL-72, ARH-77, RCM-1, HT, Huh-7, SCC-4, KP-4, YT, A 172, HOP-62, JVM-2, SCC-15, C2BBe1, RPMI-6666, BB49-HNC, SNB-75, LB831-BLC, HT-144, LS-513, CP66-MEL, D-263MG, G-361, SK-LMS-1, OPM-2, MCF7, LS-1034, NCI-H1437, LOUCY, NCI-H446, COR-L279, CMK, SK-UT-1, CAL-27, CCRF-CEM, SNU-387, HL-60, NCI-H64, BV-173, KY821, KLE, NCI-H23, MES-SA, NCI-H322M, L-540, Daudi, KP-N-YN, CHL-1, IA-LM, MFH-ino, NCI-H2141, no-10, HuTu80, UO-31, HDLM-2, KU812 cell line, COR-L105, SK-MEL-28, OVCAR-4, NCI-H1838, SW1573, NB12, HCC70, NOS-1, EKVX, TALL-1, PC-3, C32, BEN, KM-H2, EHEB, NCI-H1793, SW626, CAPAN-1, RVH-421, K562, BE-13, UACC-257, NCI-H1650, RPMI 8402, KYSE-270, NMC-G1, MG-63, NCI-H1304, 1A9/ptx-22, T-24, HuO-3N1, DU-145, COLO-320-HSR, MDA-MB-361, A2058, SHP77, BHY, NCI-H187, MDA-MB-175-VII, SNU-C2B, NCI-H460, NCI-H2227, LC-1F, JIYOYE, SNU-449, NCI-H1618, Capan-2, SW837, SW1463, YKG-1, T84, AN3-CA, MDA-MB-231, GAK, KYSE-140, NCI-H720, NTERA-2-cl-D1, GR-ST, C-4-II, SCLC-21H, Sus scrofa, COLO-668, NCI-H596, RERF-LC-MS, MLMA, SK-CO-1, HCT-15, CAL-39, RD, SCC-3, IST-MES1, GMS-10, ChaGo-K-1, NCI-H1155, HT1197, SN12C, DSH1, THP-1, TE-5, NCI-H1963, K052, DK-MG, Ca9-22, A-375, OVCAR-3, Calu-3, MDA-MB-453, NCI-H719, NCI-H1573, ATN-1, NB10, H4, LoVo, MZ7-mel, REH, J-RT3-T3-5, D283 Med, DMS-79, LB2518-MEL, LB373-MEL-D, SK-N-AS, A4-Fuk, MDA-MB-415, COLO-680N, A253 cell line, NCI-H2052, LU-165, KYSE-450, T98G, Caov-3 cell line, NCI-H1755, Calu-1, COLO-741, AU565, LB996-RCC, GI-ME-N, U-87 MG, OS-RC-2, NCI-H2122, LNCaP-Clone-FGC, SNG-M, NB5, SW1417, NCI-H1792, KYSE-510, DMS-53, QIMR-WIL, BT-474, Hs-578T, SUP-T1, NCI-H1882, SK-HEP1, SK-MM-2, SW872, HuP-T4, NOMO-1, KYSE-70 cell line, MFE-296, SK-N-DZ, S-117, MZ2-MEL, SCC-25, NCI-H524, C3A, HEL, Detroit562, NCI-H1355, SAOS-2, HMV-2 cell line, NCI-H2196, LS-123, MDA-MB-468, NCI-H661, IGR-1, HCC1143, A101D, CAL-148, NCI-H1522, HCC1937, HD-MY-Z, SF-126, SF-268, CAKI-1, NCI-H209, SAS, OCI-AML2, SKG-IIIa, MeWo, DG-75, BT-20, KINGS-1, LCLC-97TM1, EB2, COLO-679, HN, IST-SL1, ABC-1, MHH-CALL-2, TGW, SCH, HCC1395, COLO-792, BHT-101, KURAMOCHI, LK-2, SK-N-FI, NCI-H2009, EM-2, BL-70, HCC2218, TE-6, ACN, LB647-SCLC, NCI-H1623, COLO-678, ES3, 8505C, SW982, KB 3-1, PANC-03-27, P31-FUJ, SK-OV-3, SK-MES-1, NON-PROTEIN TARGET, KG-1, HSC-3, Bel-7402, U-251, BFTC-905, CESS, ONS-76, D-502MG, RT-4, KARPAS-422, OE33, RH-1, GP5d, 23132-87, DMS-114, CCF-STTG1, 1A9, ASPC1, CW-2, SBC-1, SF-539, LC4-1, A673, Nuclear receptor subfamily 1 group I member 2, ME-180, ML-2, SNU-475, MEL-HO, SNU-423, U-266, HOS, UACC-812, TGBC1TKB, BFTC-909, DoTc2-4510, KNS-42, TE-10, EGI-1, OVCAR-5, SW1783, KNS-81-FD, KP-N-YS, DJM-1, LU-134-A, NCI-H1693, NCI-H520, RL, NCI-H2171, KU-19-19, NCI-H716, A3-KAW, HCC38, NCI-H2170, TE-11, A2780, HCC 2998, TT, TGBC24TKB, HLE, HOP-92, JVM-3, OMC-1, GCIY, L-428, KARPAS-299, CAMA-1, HCE-T, NCI-H2228, ES8, 5637, HCE-4, BC-3, NCI-H510A, SiHa, SK-MEL-2, COLO 205, NCI-H1563, NCI-H2081, G-402, EFO-21, MEL-JUSO, NCI-H747, SW948, VA-ES-BJ, CGTH-W-1, SK-MEL-24, LP-1, CAL-62, ACHN, HCC2157, CWR22R, EW-16, KGN, ALL-PO, Daoy, NCI-H2405, CHP-126, NCI-H1581, ECC4, KE-37, RKO, COR-L88, HT55, ES6, KS-1, SK-MEL3, CP50-MEL-B, CAL-12T, A704, HT-29, MC-CAR, BC1 cell line, SW48, SNU-16, ES5, HCC1599, EW-18, OE19, SNU-5, SW1710, TK-10, Ca-Ski, NCI-H1648, SW1088, BOKU, MKN-45, CTV-1, JEG-3, U2OS, PSN1, MHH-PREB-1, NCI-H1092, EW-1, ETK-1, LCLC-103H cell line, SNU-398, Panc1005, GB-1, RO82-W-1, KM12, DMS-273, NCI-H345, NCI-H1395, BXPC-3, HC-1, YAPC, SJRH30, BCPAP, NCI-H2126, EC-GI-10, RPMI-8866, MPP-89, HO-1-N-1, PA-1, HCC1419, K5, DB, SW1990, 639-V, HCC1806, SF-295, A204, SH-4, HT-1376, HEC-1, J82, MSTO-211H, DMS-153, HepG2, OCUB-M, COLO-684, NCI-N87, EW-13, A388, 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CHEMBL1075468, CHEMBL2366357, CHEMBL2366323, CHEMBL1075448, CHEMBL614208, CHEMBL614533, CHEMBL614736, CHEMBL614886, CHEMBL1293231, CHEMBL1075397, CHEMBL2366119, CHEMBL614643, CHEMBL614919, CHEMBL2366236, CHEMBL1075602, CHEMBL1075581, CHEMBL614451, CHEMBL1075407, CHEMBL2366360, CHEMBL1075386, CHEMBL2366309, CHEMBL612588, CHEMBL614917, CHEMBL1075485, CHEMBL1075427, CHEMBL2366296, CHEMBL2366188, CHEMBL1075469, CHEMBL2366082, CHEMBL614187, CHEMBL2366075, CHEMBL614279, CHEMBL1075536, CHEMBL2366262, CHEMBL1075494, CHEMBL394, CHEMBL2366217, CHEMBL1075456, CHEMBL2366274, CHEMBL2366144, CHEMBL614099, CHEMBL1075522, CHEMBL614943, CHEMBL2366372, CHEMBL1075488, CHEMBL2366161, CHEMBL2366368, CHEMBL1075477, CHEMBL1075552, CHEMBL614277, CHEMBL3401, CHEMBL1075472, CHEMBL1075413, CHEMBL1075560, CHEMBL2366354, CHEMBL614317, CHEMBL2366200, CHEMBL1075557, CHEMBL1075580, CHEMBL1075523, CHEMBL1075461, CHEMBL2366174, CHEMBL2366291, CHEMBL1075457, CHEMBL614379, CHEMBL614295, CHEMBL1075462, CHEMBL613505, CHEMBL2366176, CHEMBL615010, CHEMBL614075, CHEMBL2366154, CHEMBL614642, CHEMBL2366298, CHEMBL2366327, CHEMBL612250, CHEMBL1075567, CHEMBL1075594, CHEMBL2366118, CHEMBL1075442, CHEMBL1075412, CHEMBL614247, CHEMBL2366213, CHEMBL2366246, CHEMBL2366331, CHEMBL2366101, CHEMBL1075584, CHEMBL1075576, CHEMBL2366191, CHEMBL2366138, CHEMBL2366304, CHEMBL2366141, CHEMBL613508, CHEMBL612569, CHEMBL1075596, CHEMBL2366137, CHEMBL2366173, CHEMBL2366215, CHEMBL614931, CHEMBL614908, CHEMBL614281, CHEMBL1075553, CHEMBL2366175, CHEMBL2366256, CHEMBL2366232, CHEMBL614135, CHEMBL2366356, CHEMBL614610, CHEMBL2366224, CHEMBL1075565, CHEMBL1075531, CHEMBL614509, CHEMBL385, CHEMBL1075453, CHEMBL614645, CHEMBL614567, CHEMBL2366172, CHEMBL1075430, CHEMBL2366072, CHEMBL2366318, CHEMBL2366182, CHEMBL2366238, CHEMBL614145, CHEMBL2366198, CHEMBL2366310, CHEMBL1075482, CHEMBL614387, CHEMBL2366063, CHEMBL2366371, CHEMBL614197, CHEMBL613858, CHEMBL1075587, CHEMBL2366271, CHEMBL614725, CHEMBL2366228, CHEMBL1075530, CHEMBL2366204, CHEMBL1075563, CHEMBL613300, CHEMBL614213, CHEMBL614561, CHEMBL614529, CHEMBL1075532, CHEMBL614514, CHEMBL613984, CHEMBL612542, CHEMBL2366186, CHEMBL1075432, CHEMBL2366061, CHEMBL2366112, CHEMBL1075400, CHEMBL2366322, CHEMBL614286, CHEMBL2366133, CHEMBL2366207, CHEMBL1075454, CHEMBL2366192, CHEMBL614920, CHEMBL614012, CHEMBL2366074, CHEMBL2366264, CHEMBL1075495, CHEMBL1075601, CHEMBL2366279, CHEMBL613531, CHEMBL384, CHEMBL2366258, CHEMBL2366163, CHEMBL2366348, CHEMBL382, CHEMBL614388, CHEMBL2366179, CHEMBL614826, CHEMBL614347, CHEMBL2366239, CHEMBL2366242, CHEMBL2366283, CHEMBL1075533, CHEMBL1075436, CHEMBL1075590, CHEMBL2366160, CHEMBL1075519, CHEMBL1075496, CHEMBL2366284, CHEMBL2366136, CHEMBL2366098, CHEMBL614590, CHEMBL1075415, CHEMBL614913, CHEMBL1075577, CHEMBL614245, CHEMBL395, CHEMBL1075493, CHEMBL614300, CHEMBL2366317, CHEMBL612555, CHEMBL614516, CHEMBL2366130, CHEMBL2366090, CHEMBL1075518, CHEMBL2366358, CHEMBL1075588, CHEMBL2366335, CHEMBL614343, CHEMBL2366311, CHEMBL2366108, CHEMBL1075450, CHEMBL2366218, CHEMBL1075504, CHEMBL2366316, CHEMBL2366297, CHEMBL614805, CHEMBL2366111, CHEMBL1075562, CHEMBL614905, CHEMBL614923, CHEMBL2366208, CHEMBL613998, CHEMBL1075514, CHEMBL1075478, CHEMBL2366272, CHEMBL2366076, CHEMBL613859, CHEMBL1075490, CHEMBL1075516, CHEMBL1075611, CHEMBL614335, CHEMBL390, CHEMBL614144, CHEMBL1075458, CHEMBL1075607, CHEMBL2366219, CHEMBL1075543, CHEMBL2366135, CHEMBL613997, CHEMBL1075409, CHEMBL2366307, CHEMBL2366099, CHEMBL2366263, CHEMBL2366363, CHEMBL1075513, CHEMBL1075414, CHEMBL614584, CHEMBL2366105, CHEMBL612583, CHEMBL2366110, CHEMBL1075500, CHEMBL2366203, CHEMBL613831, CHEMBL1075410, CHEMBL1075479, CHEMBL1075481, CHEMBL1075406, CHEMBL1075467, CHEMBL2366177, CHEMBL2366097, CHEMBL2366359, CHEMBL2366367, CHEMBL612262, CHEMBL2366189, CHEMBL1075545, CHEMBL614997, CHEMBL2366329, CHEMBL614195, CHEMBL1075421, CHEMBL1075570, CHEMBL2366071, CHEMBL614241, CHEMBL1075561, CHEMBL614517, CHEMBL614334, CHEMBL1075393, CHEMBL2366104, CHEMBL2366184, CHEMBL1075428, CHEMBL1075540, CHEMBL2366205, CHEMBL2366147, CHEMBL3879801, CHEMBL614733, CHEMBL2366302, CHEMBL2366229, CHEMBL614051, CHEMBL612799, CHEMBL2366100, CHEMBL2366096, CHEMBL2366243, CHEMBL2366328, CHEMBL614353, CHEMBL1075583, CHEMBL1075534, CHEMBL2366091, CHEMBL612545, CHEMBL2366293, CHEMBL1075396, CHEMBL1075525, CHEMBL1075487, CHEMBL2366320, CHEMBL2366206, CHEMBL2366073, CHEMBL2366261, CHEMBL2366230, CHEMBL614884, CHEMBL2366365, CHEMBL2366257, CHEMBL612796, CHEMBL1075447, CHEMBL2366313, CHEMBL2366351, CHEMBL613102, CHEMBL1075510, CHEMBL1075399, CHEMBL612701, CHEMBL1075573, CHEMBL1075384, CHEMBL2366370, CHEMBL1075598, CHEMBL2366223, CHEMBL614774, CHEMBL614896, CHEMBL612440, CHEMBL1075591, CHEMBL1075455, CHEMBL1075438, CHEMBL614894, CHEMBL2366250, CHEMBL2366294, CHEMBL614140, CHEMBL614066, CHEMBL383, CHEMBL614056, CHEMBL2366132, CHEMBL1075571, CHEMBL2366146, CHEMBL1075395, CHEMBL2366233, CHEMBL1075418, CHEMBL1075541, CHEMBL2366226, CHEMBL1075491, CHEMBL612570, CHEMBL2366341, CHEMBL614107, CHEMBL1075382, CHEMBL2366143, CHEMBL2366241, CHEMBL2366209, CHEMBL612256, CHEMBL614476, CHEMBL1075404, CHEMBL2366301, CHEMBL2366142, CHEMBL2366070, CHEMBL1075466, CHEMBL2366157, CHEMBL2366295, CHEMBL614534, CHEMBL2366337, CHEMBL1075521, CHEMBL614039, CHEMBL2366181, CHEMBL2366120, CHEMBL2366126, CHEMBL2366253, CHEMBL1075465, CHEMBL2366332, CHEMBL2366247, CHEMBL2366222, CHEMBL1075411, CHEMBL2366315, CHEMBL2366159, CHEMBL2366277, CHEMBL2366225, CHEMBL1075475, CHEMBL1075517, CHEMBL614243, CHEMBL2366216, CHEMBL1075425, CHEMBL2366361, CHEMBL2366346, CHEMBL614177, CHEMBL1075431, CHEMBL1075391, CHEMBL2366299, CHEMBL614925, CHEMBL387, CHEMBL614055, CHEMBL613530, CHEMBL2366114, CHEMBL1075586, CHEMBL2366308, CHEMBL614882, CHEMBL2366306, CHEMBL1075439, CHEMBL1075585, CHEMBL2366094, CHEMBL1075537, CHEMBL2366334, CHEMBL1075463, CHEMBL2366201, CHEMBL614535, CHEMBL2366349, CHEMBL614694, CHEMBL614054, CHEMBL2366254, CHEMBL615023, CHEMBL2366319, CHEMBL2366369, CHEMBL614355, CHEMBL1075429, CHEMBL1075499, CHEMBL2366194, CHEMBL1075505, CHEMBL2366131, CHEMBL1075402, CHEMBL2366185, CHEMBL1075416, CHEMBL1075539, CHEMBL2366156, CHEMBL1075592, CHEMBL1075600, CHEMBL1075524, CHEMBL612565, CHEMBL1075483, CHEMBL2366210, CHEMBL2366125, CHEMBL1075444, CHEMBL2366343, CHEMBL2366121, CHEMBL614580, CHEMBL614940, CHEMBL2366281, CHEMBL1075446, CHEMBL1075435, CHEMBL614352, CHEMBL1075575, CHEMBL1075593, CHEMBL2366106, CHEMBL1075555, CHEMBL2366087, CHEMBL2366149, CHEMBL614660, CHEMBL2366273, CHEMBL1075605, CHEMBL2366153, CHEMBL1075610, CHEMBL2366352, CHEMBL2366355, CHEMBL1075574, CHEMBL613868, CHEMBL2366167, CHEMBL614586, CHEMBL2366286, CHEMBL2366081, CHEMBL613854, CHEMBL2366235, CHEMBL1075460, CHEMBL613860, CHEMBL1075422, CHEMBL1075470, CHEMBL614709, CHEMBL2366214, CHEMBL2366084, CHEMBL400, CHEMBL2366170, CHEMBL2366079, CHEMBL614804, CHEMBL614530, CHEMBL614582, CHEMBL2366187, CHEMBL2366326, CHEMBL612566, CHEMBL2366267, CHEMBL614519, CHEMBL614588, CHEMBL2366069, CHEMBL2366251, CHEMBL614587, CHEMBL2366339, CHEMBL1075387, CHEMBL1075579, CHEMBL1075503, CHEMBL2366333, CHEMBL2366190, CHEMBL1075526, CHEMBL2366231, CHEMBL1075606, CHEMBL2366240, CHEMBL2366155, CHEMBL1075535, CHEMBL2366124, CHEMBL1075434, CHEMBL1075398, CHEMBL2366290, CHEMBL613888, CHEMBL614512, CHEMBL2366278, CHEMBL1075564, CHEMBL2366062, CHEMBL614803, CHEMBL614515, CHEMBL612657, CHEMBL1075423, CHEMBL614581, CHEMBL1075544, CHEMBL612815, CHEMBL613509, CHEMBL614354, CHEMBL1075604, CHEMBL1075498, CHEMBL2366123, CHEMBL1075417, CHEMBL1075502, CHEMBL398, CHEMBL364, CHEMBL396, CHEMBL613889, CHEMBL1075558, CHEMBL2366314, CHEMBL2366330, CHEMBL1075515, CHEMBL2366165, CHEMBL2366086, CHEMBL1075383, CHEMBL1075582, CHEMBL612279, CHEMBL2366211, CHEMBL614096, CHEMBL614036, CHEMBL1075433, CHEMBL1075578, CHEMBL614934, CHEMBL1075445, CHEMBL2366312, CHEMBL1075501, CHEMBL2366366, CHEMBL2366280, CHEMBL614949, CHEMBL2146315, CHEMBL2366077, CHEMBL2366221, CHEMBL2366266, CHEMBL2366342, CHEMBL2366116, CHEMBL2366065, CHEMBL614034, CHEMBL1075546, CHEMBL1075566, CHEMBL2366068, CHEMBL1075441, CHEMBL2366092, CHEMBL614454, CHEMBL1075449, CHEMBL614255, CHEMBL614356, CHEMBL612255, CHEMBL1075542, CHEMBL614721, CHEMBL1075538, CHEMBL2366083, CHEMBL614899, CHEMBL1075408, CHEMBL1075595, CHEMBL2366344, CHEMBL2366220, CHEMBL614801, CHEMBL1075392, CHEMBL1075556, CHEMBL612447, CHEMBL2366340, CHEMBL1075489, CHEMBL2366171, CHEMBL2366109, CHEMBL2366305, CHEMBL1075440, CHEMBL614361, CHEMBL615022, CHEMBL1075497, CHEMBL1075547, CHEMBL1075527, CHEMBL2366268, CHEMBL2366178, CHEMBL614879, CHEMBL2366300, CHEMBL2366139, CHEMBL2366115, CHEMBL2366234, CHEMBL1075385, CHEMBL2366152, CHEMBL2366338, CHEMBL614775, CHEMBL614836, CHEMBL612264, CHEMBL1075528, CHEMBL1075459, CHEMBL2366140, CHEMBL2366196, CHEMBL2366373, CHEMBL2366259, CHEMBL612263, CHEMBL1075589, CHEMBL2366193, CHEMBL1075480, CHEMBL2366285, CHEMBL2366169, CHEMBL1075569, CHEMBL1075394, CHEMBL2366265, CHEMBL2366325, CHEMBL1075403, CHEMBL2366093, CHEMBL614916, CHEMBL1075419, CHEMBL2366364, CHEMBL613529, CHEMBL614214, CHEMBL1075612	AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-65, CPC-N, LAN-6, SBC-5, LB2241-RCC, NCI-H1436, TE-1, CaR-1, HuP-T3, BB30-HNC, P30-OHK, SK-MEL-30, C-33-A, RPMI-2650, 8-MG-BA, HPAF-II, EW-7, NCI-H650, DOHH-2, MHH-ES-1, TYK-nu, HT-3, Raji, NCI-H1770, NCI-H82, NCI-H1694, MOLT-16, MS-1, EFO-27, HCC1187, BPH-1, CAL-54, NEC8, Becker, NB13, 8305C, SMMC-7721, CHP-212, GT3TKB, HuCCT-1, MHH-NB-11, MEG-01, A-427, SW756, Plasmodium falciparum, Calu-6, HH, LS-411N, MIA PaCa-2, EVSA-T, MN-60, LB771-HNC, SK-PN-DW, TE-15, IGROV-1, NCCIT, IST-SL2, D-392MG, SW13, NCI-H1651, HTC-C3, EB-3, NCI-H2452, OAW-28, RS4-11, MKN-28, MZ1-PC, SJSA-1, SW780, NCI-H2030, EW-11, NCI-H2342, LN-405, TCC-SUP, NCI-H522, LU-99A, NCI-H727, DU-4475, ES1, DOK, LB1047-RCC, EFE-184, SIG-M5, COLO-824, M059J, NCI-H2087, Unchecked, DBTRG-05MG, NCI-H1299, KMOE-2, GOTO, Nuclear receptor ROR-gamma, COR-L23, MFE-280, NUGC-3, NB1, A498, SU-DHL-1, CAL-85-1, GAMG, CAL-51, UMC-11, NCI-H1734, RCC10RGB, BL-41, TE-8, RT-112, NCI-H810, P12-Ichikawa, TE-9, LXF-289 cell line, IST-MEL1, MFM-223, TE-12, ES7, COLO-829, UACC-62, NCI-H358, SK-NEP-1, WSU-NHL, HCC1569, M14, SW-620, U-118-MG, ESS-1, KB, RPMI-8226, TUR, CAS-1, KOSC-2, CAL-120, CAL-72, ARH-77, RCM-1, HT, Huh-7, SCC-4, KP-4, YT, A 172, HOP-62, JVM-2, SCC-15, C2BBe1, RPMI-6666, BB49-HNC, SNB-75, LB831-BLC, HT-144, LS-513, CP66-MEL, D-263MG, G-361, SK-LMS-1, OPM-2, MCF7, LS-1034, NCI-H1437, LOUCY, NCI-H446, COR-L279, CMK, SK-UT-1, CAL-27, CCRF-CEM, SNU-387, HL-60, NCI-H64, BV-173, KY821, KLE, NCI-H23, MES-SA, NCI-H322M, L-540, Daudi, KP-N-YN, CHL-1, IA-LM, MFH-ino, NCI-H2141, no-10, HuTu80, UO-31, HDLM-2, KU812 cell line, COR-L105, SK-MEL-28, OVCAR-4, NCI-H1838, SW1573, NB12, HCC70, NOS-1, EKVX, TALL-1, PC-3, C32, BEN, KM-H2, EHEB, NCI-H1793, SW626, CAPAN-1, RVH-421, K562, BE-13, UACC-257, NCI-H1650, RPMI 8402, KYSE-270, NMC-G1, MG-63, NCI-H1304, 1A9/ptx-22, T-24, HuO-3N1, DU-145, COLO-320-HSR, MDA-MB-361, A2058, SHP77, BHY, NCI-H187, MDA-MB-175-VII, SNU-C2B, NCI-H460, NCI-H2227, LC-1F, JIYOYE, SNU-449, NCI-H1618, Capan-2, SW837, SW1463, YKG-1, T84, AN3-CA, MDA-MB-231, GAK, KYSE-140, NCI-H720, NTERA-2-cl-D1, GR-ST, C-4-II, SCLC-21H, Sus scrofa, COLO-668, NCI-H596, RERF-LC-MS, MLMA, SK-CO-1, HCT-15, CAL-39, RD, SCC-3, IST-MES1, GMS-10, ChaGo-K-1, NCI-H1155, HT1197, SN12C, DSH1, THP-1, TE-5, NCI-H1963, K052, DK-MG, Ca9-22, A-375, OVCAR-3, Calu-3, MDA-MB-453, NCI-H719, NCI-H1573, ATN-1, NB10, H4, LoVo, MZ7-mel, REH, J-RT3-T3-5, D283 Med, DMS-79, LB2518-MEL, LB373-MEL-D, SK-N-AS, A4-Fuk, MDA-MB-415, COLO-680N, A253 cell line, NCI-H2052, LU-165, KYSE-450, T98G, Caov-3 cell line, NCI-H1755, Calu-1, COLO-741, AU565, LB996-RCC, GI-ME-N, U-87 MG, OS-RC-2, NCI-H2122, LNCaP-Clone-FGC, SNG-M, NB5, SW1417, NCI-H1792, KYSE-510, DMS-53, QIMR-WIL, BT-474, Hs-578T, SUP-T1, NCI-H1882, SK-HEP1, SK-MM-2, SW872, HuP-T4, NOMO-1, KYSE-70 cell line, MFE-296, SK-N-DZ, S-117, MZ2-MEL, SCC-25, NCI-H524, C3A, HEL, Detroit562, NCI-H1355, SAOS-2, HMV-2 cell line, NCI-H2196, LS-123, MDA-MB-468, NCI-H661, IGR-1, HCC1143, A101D, CAL-148, NCI-H1522, HCC1937, HD-MY-Z, SF-126, SF-268, CAKI-1, NCI-H209, SAS, OCI-AML2, SKG-IIIa, MeWo, DG-75, BT-20, KINGS-1, LCLC-97TM1, EB2, COLO-679, HN, IST-SL1, ABC-1, MHH-CALL-2, TGW, SCH, HCC1395, COLO-792, BHT-101, KURAMOCHI, LK-2, SK-N-FI, NCI-H2009, EM-2, BL-70, HCC2218, TE-6, ACN, LB647-SCLC, NCI-H1623, COLO-678, ES3, 8505C, SW982, KB 3-1, PANC-03-27, P31-FUJ, SK-OV-3, SK-MES-1, NON-PROTEIN TARGET, KG-1, HSC-3, Bel-7402, U-251, BFTC-905, CESS, ONS-76, D-502MG, RT-4, KARPAS-422, OE33, RH-1, GP5d, 23132-87, DMS-114, CCF-STTG1, 1A9, ASPC1, CW-2, SBC-1, SF-539, LC4-1, A673, Nuclear receptor subfamily 1 group I member 2, ME-180, ML-2, SNU-475, MEL-HO, SNU-423, U-266, HOS, UACC-812, TGBC1TKB, BFTC-909, DoTc2-4510, KNS-42, TE-10, EGI-1, OVCAR-5, SW1783, KNS-81-FD, KP-N-YS, DJM-1, LU-134-A, NCI-H1693, NCI-H520, RL, NCI-H2171, KU-19-19, NCI-H716, A3-KAW, HCC38, NCI-H2170, TE-11, A2780, HCC 2998, TT, TGBC24TKB, HLE, HOP-92, JVM-3, OMC-1, GCIY, L-428, KARPAS-299, CAMA-1, HCE-T, NCI-H2228, ES8, 5637, HCE-4, BC-3, NCI-H510A, SiHa, SK-MEL-2, COLO 205, NCI-H1563, NCI-H2081, G-402, EFO-21, MEL-JUSO, NCI-H747, SW948, VA-ES-BJ, CGTH-W-1, SK-MEL-24, LP-1, CAL-62, ACHN, HCC2157, CWR22R, EW-16, KGN, ALL-PO, Daoy, NCI-H2405, CHP-126, NCI-H1581, ECC4, KE-37, RKO, COR-L88, HT55, ES6, KS-1, SK-MEL3, CP50-MEL-B, CAL-12T, A704, HT-29, MC-CAR, BC1 cell line, SW48, SNU-16, ES5, HCC1599, EW-18, OE19, SNU-5, SW1710, TK-10, Ca-Ski, NCI-H1648, SW1088, BOKU, MKN-45, CTV-1, JEG-3, U2OS, PSN1, MHH-PREB-1, NCI-H1092, EW-1, ETK-1, LCLC-103H cell line, SNU-398, Panc1005, GB-1, RO82-W-1, KM12, DMS-273, NCI-H345, NCI-H1395, BXPC-3, HC-1, YAPC, SJRH30, BCPAP, NCI-H2126, EC-GI-10, RPMI-8866, MPP-89, HO-1-N-1, PA-1, HCC1419, K5, DB, SW1990, 639-V, HCC1806, SF-295, A204, SH-4, HT-1376, HEC-1, J82, MSTO-211H, DMS-153, HepG2, OCUB-M, COLO-684, NCI-N87, EW-13, A388, NCI-H526, VM-CUB-1, SW684, UACC-893, MV4-11, Pregnane X receptor, AM-38, NY, PFSK-1, DV-90, NB69, KMS-12-PE, LAMA-84, CAL-33, HGC-27, CTB-1, MC116, Ramos-2G6-4C10, 769-P, U-698-M, IPC-298, PC-14, HCT-116, RXF 393, NCI-H2347, UMUC3, RMG-I, PANC-08-13, GDM-1, EW-3, TE-441-T, KYSE-150 cell line, SW 962, 1A9/ptx-10, ST486, SR, IMR-5, 697, NCI-H28, PLC-PRF-5, NCI-H748, ES4, FaDu, MDA-MB-157, DEL, HAL-01, HSC-4, NKM-1, HCC1954, EOL1, KYSE-180, NCI-H838, KALS-1, MMAC-SF, no-11, WM-115, EFM-19, GCT, NCI-H889, NCI-H441, 786-0, HSC-2, OVCAR-8, MOLT-4, LOX IMVI, NB6, MONO-MAC-6, G-401, MRK-nu-1, SK-LU-1, KARPAS-45, NCI-H292, SIMA, CA46, NH-12, 647-V, SW 954, PF-382, KYSE-410, BB65-RCC, D-542MG, LU-139, SNU-C1, NCI-H1993, SCC-9, NCI-H69, KYSE-520 cell line, NCI-H1417, OAW-42, SK-MEL-1, L-363, EW-24, MKN-1, IM-9, COLO-800, JAR, MDA-MB-134-VI, VMRC-RCZ, GI-1, SNU1, T47D, RPMI-7951, NALM-6, C8166, FTC-133, 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CHEMBL614208, CHEMBL614533, CHEMBL614736, CHEMBL614886, CHEMBL1075397, CHEMBL2366119, CHEMBL614643, CHEMBL614919, CHEMBL2366236, CHEMBL1075602, CHEMBL1075581, CHEMBL614451, CHEMBL1075407, CHEMBL2366360, CHEMBL1075386, CHEMBL2366309, CHEMBL612588, CHEMBL614917, CHEMBL1075485, CHEMBL1075427, CHEMBL2366296, CHEMBL2366188, CHEMBL1075469, CHEMBL2366082, CHEMBL614187, CHEMBL2366075, CHEMBL1075536, CHEMBL2366262, CHEMBL1075494, CHEMBL394, CHEMBL2366217, CHEMBL1075456, CHEMBL2366274, CHEMBL2366144, CHEMBL614099, CHEMBL1075522, CHEMBL614943, CHEMBL2366372, CHEMBL1075488, CHEMBL2366161, CHEMBL2366368, CHEMBL1075477, CHEMBL1075552, CHEMBL614277, CHEMBL1075472, CHEMBL1075413, CHEMBL1075560, CHEMBL2366354, CHEMBL614317, CHEMBL2366200, CHEMBL1075557, CHEMBL1075580, CHEMBL1075523, CHEMBL1075461, CHEMBL2366174, CHEMBL2366291, CHEMBL1075457, CHEMBL614379, CHEMBL614295, CHEMBL1075462, CHEMBL613505, CHEMBL2366176, CHEMBL615010, CHEMBL2366154, CHEMBL614642, CHEMBL2366298, CHEMBL2366327, CHEMBL612250, CHEMBL1075567, CHEMBL1075594, CHEMBL2366118, CHEMBL1075442, CHEMBL1075412, CHEMBL614247, CHEMBL2366213, CHEMBL2366246, CHEMBL2366331, CHEMBL2366101, CHEMBL1075584, CHEMBL1075576, CHEMBL2366191, CHEMBL2366138, CHEMBL2366304, CHEMBL2366141, CHEMBL613508, CHEMBL612569, CHEMBL1075596, CHEMBL2366137, CHEMBL2366173, CHEMBL2366215, CHEMBL614931, CHEMBL614908, CHEMBL614281, CHEMBL1075553, CHEMBL2366175, CHEMBL2366256, CHEMBL2366232, CHEMBL614135, CHEMBL2366356, CHEMBL614610, CHEMBL2366224, CHEMBL1075565, CHEMBL1075531, CHEMBL385, CHEMBL1075453, CHEMBL614645, CHEMBL614567, CHEMBL2366172, CHEMBL1075430, CHEMBL2366072, CHEMBL2366318, CHEMBL2366182, CHEMBL2366238, CHEMBL614145, CHEMBL2366198, CHEMBL2366310, CHEMBL1075482, CHEMBL614387, CHEMBL2366063, CHEMBL2366371, CHEMBL614197, CHEMBL1075587, CHEMBL2366271, CHEMBL614725, CHEMBL2366228, CHEMBL1075530, CHEMBL2366204, CHEMBL1075563, CHEMBL613300, CHEMBL614213, CHEMBL614561, CHEMBL614529, CHEMBL1075532, CHEMBL614514, CHEMBL613984, CHEMBL612542, CHEMBL2366186, CHEMBL1075432, CHEMBL2366061, CHEMBL2366112, CHEMBL1075400, CHEMBL2366322, CHEMBL614286, CHEMBL2366133, CHEMBL2366207, CHEMBL1075454, CHEMBL2366192, CHEMBL614920, CHEMBL614012, CHEMBL2366074, CHEMBL2366264, CHEMBL1075495, CHEMBL1075601, CHEMBL2366279, CHEMBL613531, CHEMBL384, CHEMBL2366258, CHEMBL2366163, CHEMBL2366348, CHEMBL382, CHEMBL614388, CHEMBL2366179, CHEMBL614826, CHEMBL614347, CHEMBL2366239, CHEMBL2366242, CHEMBL2366283, CHEMBL1075533, CHEMBL1075436, CHEMBL1075590, CHEMBL2366160, CHEMBL1075519, CHEMBL1075496, CHEMBL2366284, CHEMBL2366136, CHEMBL2366098, CHEMBL1075415, CHEMBL614913, CHEMBL1075577, CHEMBL614245, CHEMBL1075493, CHEMBL614300, CHEMBL2366317, CHEMBL612555, CHEMBL614516, CHEMBL2366130, CHEMBL2366090, CHEMBL1075518, CHEMBL2366358, CHEMBL1075588, CHEMBL2366335, CHEMBL614343, CHEMBL2366311, CHEMBL2366108, CHEMBL1075450, CHEMBL2366218, CHEMBL1075504, CHEMBL2366316, CHEMBL2366297, CHEMBL614805, CHEMBL2366111, CHEMBL1075562, CHEMBL614905, CHEMBL614923, CHEMBL2366208, CHEMBL613998, CHEMBL1075514, CHEMBL1075478, CHEMBL2366272, CHEMBL2366076, CHEMBL613859, CHEMBL1075490, CHEMBL1075516, CHEMBL1075611, CHEMBL614335, CHEMBL390, CHEMBL614144, CHEMBL1075458, CHEMBL1075607, CHEMBL2366219, CHEMBL1075543, CHEMBL2366135, CHEMBL613997, CHEMBL1075409, CHEMBL2366307, CHEMBL2366099, CHEMBL2366263, CHEMBL2366363, CHEMBL1075513, CHEMBL1075414, CHEMBL614584, CHEMBL2366105, CHEMBL612583, CHEMBL2366110, CHEMBL1075500, CHEMBL2366203, CHEMBL1075410, CHEMBL1075479, CHEMBL1075481, CHEMBL1075406, CHEMBL1075467, CHEMBL2366177, CHEMBL2366097, CHEMBL2366359, CHEMBL2366367, CHEMBL612262, CHEMBL2366189, CHEMBL1075545, CHEMBL614997, CHEMBL2366329, CHEMBL614195, CHEMBL1075421, CHEMBL1075570, CHEMBL2366071, CHEMBL614241, CHEMBL1075561, CHEMBL614517, CHEMBL614334, CHEMBL1075393, CHEMBL2366104, CHEMBL2366184, CHEMBL1075428, CHEMBL1075540, CHEMBL2366205, CHEMBL2366147, CHEMBL614733, CHEMBL2366302, CHEMBL2366229, CHEMBL614051, CHEMBL612799, CHEMBL2366100, CHEMBL2366096, CHEMBL2366243, CHEMBL2366328, CHEMBL614353, CHEMBL1075583, CHEMBL1075534, CHEMBL2366091, CHEMBL612545, CHEMBL2366293, CHEMBL1075396, CHEMBL1075525, CHEMBL1075487, CHEMBL2366320, CHEMBL2366206, CHEMBL2366073, CHEMBL2366261, CHEMBL2366230, CHEMBL614884, CHEMBL2366365, CHEMBL2366257, CHEMBL612796, CHEMBL1075447, CHEMBL2366313, CHEMBL2366351, CHEMBL613102, CHEMBL1075510, CHEMBL1075399, CHEMBL612701, CHEMBL1075573, CHEMBL1075384, CHEMBL2366370, CHEMBL1075598, CHEMBL2366223, CHEMBL614774, CHEMBL614896, CHEMBL612440, CHEMBL1075591, CHEMBL1075455, CHEMBL1075438, CHEMBL614894, CHEMBL2366250, CHEMBL2366294, CHEMBL614140, CHEMBL614066, CHEMBL383, CHEMBL614056, CHEMBL2366132, CHEMBL1075571, CHEMBL2366146, CHEMBL1075395, CHEMBL2366233, CHEMBL1075418, CHEMBL1075541, CHEMBL2366226, CHEMBL1075491, CHEMBL612570, CHEMBL2366341, CHEMBL614107, CHEMBL1075382, CHEMBL2366143, CHEMBL2366241, CHEMBL2366209, CHEMBL612256, CHEMBL614476, CHEMBL1075404, CHEMBL2366301, CHEMBL2366142, CHEMBL2366070, CHEMBL1075466, CHEMBL2366157, CHEMBL2366295, CHEMBL614534, CHEMBL2366337, CHEMBL1075521, CHEMBL2366120, CHEMBL2366181, CHEMBL614039, CHEMBL2366126, CHEMBL2366253, CHEMBL1075465, CHEMBL2366332, CHEMBL2366247, CHEMBL2366222, CHEMBL1075411, CHEMBL2366315, CHEMBL2366159, CHEMBL2366277, CHEMBL2366225, CHEMBL1075475, CHEMBL1075517, CHEMBL614243, CHEMBL2366216, CHEMBL1075425, CHEMBL2366361, CHEMBL2366346, CHEMBL614177, CHEMBL1075431, CHEMBL1075391, CHEMBL2366299, CHEMBL614925, CHEMBL387, CHEMBL614055, CHEMBL613530, CHEMBL2366114, CHEMBL1075586, CHEMBL2366308, CHEMBL614882, CHEMBL2366306, CHEMBL1075439, CHEMBL1075585, CHEMBL2366094, CHEMBL1075537, CHEMBL2366334, CHEMBL1075463, CHEMBL2366201, CHEMBL614535, CHEMBL2366349, CHEMBL299, CHEMBL614694, CHEMBL614054, CHEMBL2366254, CHEMBL615023, CHEMBL2366319, CHEMBL2366369, CHEMBL614355, CHEMBL1075429, CHEMBL1075499, CHEMBL2366194, CHEMBL1075505, CHEMBL2366131, CHEMBL1075402, CHEMBL2366185, CHEMBL1075416, CHEMBL1075539, CHEMBL2366156, CHEMBL1075592, CHEMBL1075600, CHEMBL1075524, CHEMBL612565, CHEMBL1075483, CHEMBL2366210, CHEMBL2366125, CHEMBL1075444, CHEMBL2366343, CHEMBL2366121, CHEMBL614580, CHEMBL614940, CHEMBL2366281, CHEMBL1075446, CHEMBL1075435, CHEMBL614352, CHEMBL1075575, CHEMBL1075593, CHEMBL2366106, CHEMBL1075555, CHEMBL2996, CHEMBL2366087, CHEMBL2366149, CHEMBL614660, CHEMBL2366273, CHEMBL1075605, CHEMBL2366153, CHEMBL1075610, CHEMBL2366352, CHEMBL2366355, CHEMBL1075574, CHEMBL613868, CHEMBL2366167, CHEMBL614586, CHEMBL2366286, CHEMBL2366081, CHEMBL613854, CHEMBL2366235, CHEMBL1075460, CHEMBL613860, CHEMBL1075422, CHEMBL1075470, CHEMBL614709, CHEMBL2366214, CHEMBL2366084, CHEMBL400, CHEMBL2366170, CHEMBL2366079, CHEMBL614804, CHEMBL614530, CHEMBL614582, CHEMBL2366187, CHEMBL2366326, CHEMBL612566, CHEMBL2366267, CHEMBL614519, CHEMBL614588, CHEMBL2366069, CHEMBL2366251, CHEMBL614587, CHEMBL2366339, CHEMBL1075387, CHEMBL1075579, CHEMBL1075503, CHEMBL2366333, CHEMBL2366190, CHEMBL1075526, CHEMBL2366231, CHEMBL1075606, CHEMBL2366240, CHEMBL2366155, CHEMBL1075535, CHEMBL2366124, CHEMBL1075434, CHEMBL1075398, CHEMBL2366290, CHEMBL613888, CHEMBL614512, CHEMBL2366278, CHEMBL1075564, CHEMBL2366062, CHEMBL614803, CHEMBL614515, CHEMBL612657, CHEMBL1075423, CHEMBL614581, CHEMBL1075544, CHEMBL612815, CHEMBL613509, CHEMBL614354, CHEMBL1075604, CHEMBL1075498, CHEMBL2366123, CHEMBL1075417, CHEMBL1075502, CHEMBL396, CHEMBL613889, CHEMBL1075558, CHEMBL2366314, CHEMBL2366330, CHEMBL1075515, CHEMBL2366165, CHEMBL2366086, CHEMBL1075383, CHEMBL1075582, CHEMBL612279, CHEMBL2366211, CHEMBL614096, CHEMBL614036, CHEMBL1075433, CHEMBL1075578, CHEMBL614934, CHEMBL1075445, CHEMBL2366312, CHEMBL1075501, CHEMBL2366366, CHEMBL2366280, CHEMBL614949, CHEMBL2366077, CHEMBL2366221, CHEMBL2366266, CHEMBL2366342, CHEMBL2366116, CHEMBL2366065, CHEMBL614034, CHEMBL1075546, CHEMBL1075566, CHEMBL1075441, CHEMBL2366068, CHEMBL2366092, CHEMBL1075449, CHEMBL614255, CHEMBL614356, CHEMBL612255, CHEMBL1075542, CHEMBL614721, CHEMBL1075538, CHEMBL2366083, CHEMBL614899, CHEMBL1075408, CHEMBL1075595, CHEMBL2366344, CHEMBL2366220, CHEMBL614801, CHEMBL1075392, CHEMBL1075556, CHEMBL612447, CHEMBL2366340, CHEMBL1075489, CHEMBL2366171, CHEMBL2366109, CHEMBL2366305, CHEMBL1075440, CHEMBL614361, CHEMBL615022, CHEMBL1075497, CHEMBL1075547, CHEMBL1075527, CHEMBL2366268, CHEMBL2366178, CHEMBL614879, CHEMBL2366300, CHEMBL2366139, CHEMBL2366115, CHEMBL2366234, CHEMBL1075385, CHEMBL2366152, CHEMBL2366338, CHEMBL2366260, CHEMBL614775, CHEMBL614836, CHEMBL612264, CHEMBL1075528, CHEMBL1075459, CHEMBL2366140, CHEMBL2366196, CHEMBL2366373, CHEMBL2366259, CHEMBL612263, CHEMBL1075589, CHEMBL2366193, CHEMBL1075480, CHEMBL2366285, CHEMBL2366169, CHEMBL1075569, CHEMBL1075394, CHEMBL2366265, CHEMBL2366325, CHEMBL1075403, CHEMBL2366093, CHEMBL614916, CHEMBL1075419, CHEMBL2366364, CHEMBL613529, CHEMBL614214, CHEMBL1075612	AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-65, CPC-N, LAN-6, SBC-5, LB2241-RCC, NCI-H1436, TE-1, CaR-1, HuP-T3, BB30-HNC, P30-OHK, SK-MEL-30, C-33-A, RPMI-2650, 8-MG-BA, HPAF-II, EW-7, NCI-H650, DOHH-2, MHH-ES-1, TYK-nu, HT-3, Raji, NCI-H1770, NCI-H82, NCI-H1694, MOLT-16, MS-1, EFO-27, HCC1187, BPH-1, CAL-54, NEC8, Becker, NB13, 8305C, CHP-212, GT3TKB, HuCCT-1, MHH-NB-11, MEG-01, A-427, SW756, Calu-6, HH, LS-411N, MIA PaCa-2, EVSA-T, MN-60, LB771-HNC, SK-PN-DW, TE-15, IGROV-1, NCCIT, IST-SL2, D-392MG, SW13, NCI-H1651, HTC-C3, EB-3, NCI-H2452, OAW-28, RS4-11, MKN-28, MZ1-PC, SJSA-1, SW780, NCI-H2030, EW-11, NCI-H2342, LN-405, TCC-SUP, NCI-H522, LU-99A, NCI-H727, DU-4475, ES1, DOK, LB1047-RCC, EFE-184, SIG-M5, COLO-824, M059J, NCI-H2087, Unchecked, DBTRG-05MG, NCI-H1299, KMOE-2, GOTO, COR-L23, MFE-280, NUGC-3, NB1, A498, SU-DHL-1, CAL-85-1, GAMG, CAL-51, UMC-11, NCI-H1734, RCC10RGB, BL-41, TE-8, RT-112, NCI-H810, P12-Ichikawa, TE-9, LXF-289 cell line, IST-MEL1, MFM-223, TE-12, ES7, COLO-829, UACC-62, NCI-H358, SK-NEP-1, WSU-NHL, HCC1569, M14, SW-620, U-118-MG, ESS-1, RPMI-8226, KOSC-2, TUR, CAS-1, CAL-120, CAL-72, ARH-77, RCM-1, HT, Huh-7, SCC-4, KP-4, YT, A 172, HOP-62, JVM-2, SCC-15, C2BBe1, RPMI-6666, BB49-HNC, SNB-75, LB831-BLC, HT-144, LS-513, CP66-MEL, D-263MG, G-361, SK-LMS-1, OPM-2, MCF7, LS-1034, NCI-H1437, LOUCY, NCI-H446, COR-L279, CMK, SK-UT-1, CAL-27, CCRF-CEM, NCI-H64, HL-60, SNU-387, BV-173, KY821, KLE, NCI-H23, MES-SA, NCI-H322M, L-540, Daudi, KP-N-YN, CHL-1, IA-LM, MFH-ino, NCI-H2141, no-10, HuTu80, UO-31, HDLM-2, KU812 cell line, COR-L105, SK-MEL-28, OVCAR-4, NCI-H1838, SW1573, NB12, HCC70, NOS-1, EKVX, TALL-1, PC-3, C32, BEN, KM-H2, EHEB, NCI-H1793, SW626, CAPAN-1, RVH-421, K562, BE-13, UACC-257, NCI-H1650, RPMI 8402, KYSE-270, NMC-G1, MG-63, NCI-H1304, T-24, HuO-3N1, DU-145, COLO-320-HSR, MDA-MB-361, A2058, SHP77, A-431, BHY, NCI-H187, MDA-MB-175-VII, SNU-C2B, NCI-H460, NCI-H2227, LC-1F, JIYOYE, SNU-449, NCI-H1618, Capan-2, SW837, SW1463, YKG-1, T84, AN3-CA, MDA-MB-231, GAK, KYSE-140, NCI-H720, NTERA-2-cl-D1, GR-ST, C-4-II, Protein kinase C alpha, SCLC-21H, COLO-668, NCI-H596, RERF-LC-MS, MLMA, SK-CO-1, HCT-15, CAL-39, RD, SCC-3, IST-MES1, GMS-10, ChaGo-K-1, NCI-H1155, HT1197, SN12C, DSH1, THP-1, TE-5, NCI-H1963, K052, DK-MG, Ca9-22, A-375, OVCAR-3, Calu-3, MDA-MB-453, NCI-H719, NCI-H1573, ATN-1, NB10, H4, LoVo, MZ7-mel, REH, J-RT3-T3-5, D283 Med, DMS-79, LB2518-MEL, LB373-MEL-D, SK-N-AS, A4-Fuk, MDA-MB-415, COLO-680N, A253 cell line, NCI-H2052, LU-165, KYSE-450, T98G, Caov-3 cell line, NCI-H1755, Calu-1, COLO-741, AU565, LB996-RCC, GI-ME-N, U-87 MG, OS-RC-2, NCI-H2122, LNCaP-Clone-FGC, SNG-M, NB5, SW1417, NCI-H1792, KYSE-510, DMS-53, QIMR-WIL, BT-474, Hs-578T, SUP-T1, NCI-H1882, SK-HEP1, SK-MM-2, SW872, HuP-T4, NOMO-1, KYSE-70 cell line, MFE-296, SK-N-DZ, S-117, MZ2-MEL, SCC-25, NCI-H524, C3A, HEL, Detroit562, NCI-H1355, SAOS-2, HMV-2 cell line, NCI-H2196, LS-123, MDA-MB-468, NCI-H661, IGR-1, HCC1143, A101D, CAL-148, NCI-H1522, HCC1937, HD-MY-Z, SF-126, SF-268, CAKI-1, NCI-H209, SAS, OCI-AML2, SKG-IIIa, MeWo, DG-75, BT-20, KINGS-1, LCLC-97TM1, EB2, COLO-679, HN, IST-SL1, ABC-1, MHH-CALL-2, TGW, SCH, HCC1395, COLO-792, BHT-101, KURAMOCHI, LK-2, SK-N-FI, NCI-H2009, EM-2, BL-70, HCC2218, TE-6, ACN, LB647-SCLC, NCI-H1623, COLO-678, ES3, 8505C, SW982, PANC-03-27, P31-FUJ, SK-OV-3, SK-MES-1, KG-1, HSC-3, U-251, BFTC-905, CESS, ONS-76, D-502MG, RT-4, KARPAS-422, OE33, RH-1, GP5d, 23132-87, DMS-114, CCF-STTG1, ASPC1, CW-2, SBC-1, SF-539, LC4-1, A673, ME-180, ML-2, SNU-475, MEL-HO, U-266, HOS, SNU-423, UACC-812, TGBC1TKB, BFTC-909, DoTc2-4510, KNS-42, TE-10, EGI-1, OVCAR-5, SW1783, KNS-81-FD, KP-N-YS, DJM-1, LU-134-A, NCI-H1693, NCI-H520, RL, NCI-H2171, KU-19-19, NCI-H716, A3-KAW, HCC38, NCI-H2170, TE-11, A2780, HCC 2998, TT, TGBC24TKB, HLE, HOP-92, JVM-3, OMC-1, GCIY, L-428, KARPAS-299, CAMA-1, HCE-T, NCI-H2228, ES8, 5637, HCE-4, BC-3, NCI-H510A, SiHa, SK-MEL-2, COLO 205, NCI-H1563, NCI-H2081, G-402, EFO-21, MEL-JUSO, NCI-H747, SW948, VA-ES-BJ, CGTH-W-1, SK-MEL-24, LP-1, CAL-62, ACHN, HCC2157, CWR22R, EW-16, KGN, ALL-PO, Daoy, NCI-H2405, 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5	CHEMBL1554	DACTINOMYCIN	10.1	CHEMBL614533	177	Giardia intestinalis, Trypanosoma cruzi, Equus caballus, Bos taurus, Mus musculus, None, Plasmodium falciparum, Chlorocebus aethiops, Homo sapiens	177	CHEMBL388, CHEMBL614151, CHEMBL3577, CHEMBL5514, CHEMBL614628, CHEMBL614004, CHEMBL615023, CHEMBL613508, CHEMBL399, CHEMBL4261, CHEMBL614923, CHEMBL614533, CHEMBL612545, CHEMBL391, CHEMBL1293232, CHEMBL3563, CHEMBL1293231, CHEMBL2903, CHEMBL614919, CHEMBL4830, CHEMBL395, CHEMBL614542, CHEMBL372, CHEMBL392, CHEMBL3468, CHEMBL612558, CHEMBL1293254, CHEMBL3663, CHEMBL614177, CHEMBL1293224, CHEMBL398, CHEMBL1293236, CHEMBL364, CHEMBL612810, CHEMBL387, CHEMBL396, CHEMBL384, CHEMBL1293237, CHEMBL4801, CHEMBL612565, CHEMBL4159, CHEMBL382, CHEMBL614735, CHEMBL345, CHEMBL614519, CHEMBL3879801, CHEMBL386, CHEMBL5122, CHEMBL340, CHEMBL1293234, CHEMBL612514, CHEMBL389, CHEMBL614036, CHEMBL1293299, CHEMBL614696, CHEMBL613977, CHEMBL397	HT-29, CCRF-CEM, WIL2-NS, Unchecked, Caspase-7, 5637, HeLa, MOLT-4, Plasmodium falciparum, KB, Nuclear receptor ROR-gamma, Caspase-1, HEp-2, DU-145, HepG2, U2OS, Lymphoblastoid cells, CRL-7065 cell line, Hypoxia-inducible factor 1 alpha, ACHN, Discoidin domain-containing receptor 2, Cruzipain, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Putative fructose-1,6-bisphosphate aldolase, MT4, Calf thymus DNA, SK-MEL-28, Histone-lysine N-methyltransferase MLL, ATP-dependent DNA helicase Q1, Cytochrome P450 3A4, SK-MES-1, P388, NCI-H460, CCRF-SB, A549, NON-PROTEIN TARGET, Raji, Arachidonate 15-lipoxygenase, SF-268, Jurkat, A2780, Ferritin light chain, G-361, Microtubule-associated protein tau, Huntingtin, MCF7, C8166, L1210, Vero, ADMET, Growth factor receptor-bound protein 2, Nucleic Acid, Homo sapiens, Survival motor neuron protein, Bloom syndrome protein, Aldehyde dehydrogenase 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6	CHEMBL529	AZITHROMYCIN	8.59	CHEMBL3301413	70	None, Plasmodium falciparum, Escherichia coli, Streptococcus pneumoniae, Naegleria fowleri, Homo sapiens, Streptococcus, Toxoplasma gondii	70	CHEMBL347, CHEMBL612313, CHEMBL354, CHEMBL3301413, CHEMBL612888, CHEMBL1293235, CHEMBL340, CHEMBL364, CHEMBL612545, CHEMBL1963	Streptococcus, Unchecked, Cytochrome P450 3A4, Thyroid stimulating hormone receptor, Plasmodium falciparum, Escherichia coli, Streptococcus pneumoniae, Naegleria fowleri, Prelamin-A/C, Toxoplasma gondii	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]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	D0000004	15	0.46922952	5.455537	6,7,8,9,10,11,21,19,32,39,2,20,35,26,13	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]
7	CHEMBL599872	VANIPREVIR	10.3	CHEMBL612545,CHEMBL612545,CHEMBL3559639	55	Hepatitis C virus, Homo sapiens, None	55	CHEMBL379, CHEMBL612545, CHEMBL3559639, CHEMBL3879801, CHEMBL2954	Hepatitis C virus, Unchecked, Cathepsin S, Nonstructural protein NS3-4A, NON-PROTEIN TARGET	C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1	D0000005	20	-0.46912816	8.401408	38,37,34,27,33,43,3,26,44,18,0,1,25,15,20	[0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 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8	CHEMBL532	ERYTHROMYCIN	7.96	CHEMBL612545	54	Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii	54	CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545	Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma 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9	CHEMBL532	ERYTHROMYCIN	7.96	CHEMBL612545	54	Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii	54	CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545	Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma gondii	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]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	D0000007	14	0.21919216	5.223037	6,8,9,10,11,21,4,19,32,39,20,2,16,45,40	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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10	CHEMBL532	ERYTHROMYCIN	7.96	CHEMBL612545	54	Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii	54	CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545	Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma 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11	CHEMBL532	ERYTHROMYCIN	7.96	CHEMBL612545	54	Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii	54	CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545	Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma 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12	CHEMBL532	ERYTHROMYCIN	7.96	CHEMBL612545	54	Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii	54	CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545	Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma gondii	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]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	D0000010	14	-0.02046196	4.8169518	6,7,8,9,11,21,4,19,32,39,20,2,16,45,40	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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13	CHEMBL532	ERYTHROMYCIN	7.96	CHEMBL612545	54	Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii	54	CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545	Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma gondii	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]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	D0000011	14	0.6365588	5.024459	6,7,8,9,10,21,4,19,32,39,20,2,16,45,40	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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14	CHEMBL1173445	LARGAZOLE	8.8	CHEMBL612545	45	Homo sapiens, None	45	CHEMBL392, CHEMBL3192, CHEMBL3524, CHEMBL5103, CHEMBL4145, CHEMBL3879801, CHEMBL1865, CHEMBL614348, CHEMBL1937, CHEMBL396, CHEMBL1829, CHEMBL612545, CHEMBL325, CHEMBL5924	Histone deacetylase 9, Ubiquitin-like modifier-activating enzyme 1, Unchecked, Histone deacetylase 3, Histone deacetylase 1, NCI-H460, A549, Histone deacetylase 4, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10, NCI-H1975	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1	D0000012	16	-0.97468865	7.0711093	30,29,35,39,46,2,0,1,26,32,40,45,48,3,41	[0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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15	CHEMBL414883	RADICICOL	9.57	CHEMBL612545	41	Saccharomyces cerevisiae S288c, Human immunodeficiency virus 1, Human herpesvirus 1, Plasmodium falciparum, None, Homo sapiens, Rattus norvegicus	41	CHEMBL5586, CHEMBL612545, CHEMBL3014, CHEMBL3879801, CHEMBL2095165, CHEMBL4303, CHEMBL3536, CHEMBL230, CHEMBL378, CHEMBL364, CHEMBL3880, CHEMBL387, CHEMBL613834, CHEMBL614741, CHEMBL613518, CHEMBL2745, CHEMBL4199, CHEMBL377	NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, Heat shock protein HSP 90-alpha, Heat shock protein HSP90, Unchecked, SK-BR-3, Heat shock protein HSP 90-beta, Human immunodeficiency virus 1, Human herpesvirus 1, NON-PROTEIN TARGET, Heat shock protein HSP 90 (HSC82), Plasmodium falciparum, MCF7, Carbonyl reductase [NADPH] 1, ATP-citrate synthase, Heat shock protein HSP 90 (HSP82), Cyclooxygenase-2	C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1	D0000013	14	-2.11192	9.835732	23,33,43,42,31,36,17,14,44,34,16,18,47,22,28	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0]
16	CHEMBL1097700		8.55	CHEMBL3587	37	Homo sapiens, None	37	CHEMBL1862, CHEMBL3587, CHEMBL1841, CHEMBL3879801, CHEMBL3956, CHEMBL267, CHEMBL279, CHEMBL1974, CHEMBL3905, CHEMBL4898, CHEMBL614245, CHEMBL612545	Tyrosine-protein kinase SRC, Tyrosine-protein kinase FYN, Tyrosine-protein kinase Lyn, Unchecked, Mitogen-activated protein kinase kinase kinase 1, Tyrosine-protein kinase receptor FLT3, Neurotrophic tyrosine kinase receptor type 2, Vascular endothelial growth factor receptor 2, Tyrosine-protein kinase ABL, THP-1, NON-PROTEIN TARGET, Dual specificity mitogen-activated protein kinase kinase 1	CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O	D0000014	14	-2.1932893	9.068973	16,17,31,36,42,18,43,34,33,44,13,23,49,15,24	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]
17	CHEMBL19980	BREFELDIN A	7.05	CHEMBL1293294,CHEMBL1293294,CHEMBL1293277	26	Plasmodium falciparum, Homo sapiens, None, Rattus norvegicus, Schistosoma mansoni	26	CHEMBL1795094, CHEMBL1947, CHEMBL6110, CHEMBL1293294, CHEMBL364, CHEMBL1293277, CHEMBL4869, CHEMBL612545, CHEMBL613545	Ras-related protein Rab-9A, Nuclear receptor subfamily 0 group B member 1, Unchecked, Thyroid hormone receptor beta-1, Niemann-Pick C1 protein, Prion protein, INS1, Plasmodium falciparum, Thioredoxin glutathione reductase	C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1	D0000015	13	-2.6879845	8.320465	24,20,23,36,34,42,44,43,49,17,31,14,18,0,1	[0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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18	CHEMBL1097999	E-6201	8.09	CHEMBL3879801	26	Homo sapiens, None	26	CHEMBL614245, CHEMBL3879801, CHEMBL612545, CHEMBL3587	Unchecked, Dual specificity mitogen-activated protein kinase kinase 1, THP-1, NON-PROTEIN TARGET	CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O	D0000016	14	-2.378821	8.895458	14,17,31,36,18,42,43,34,33,44,13,23,49,15,24	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]
19	CHEMBL1077979		8.54	CHEMBL3587	23	Homo sapiens, None	23	CHEMBL5776, CHEMBL3587, CHEMBL6114, CHEMBL614697, CHEMBL3879801, CHEMBL4040, CHEMBL396, CHEMBL387, CHEMBL614245, CHEMBL5533, CHEMBL384, CHEMBL3530, CHEMBL3038499, CHEMBL613977	HT-29, Phospholipase A-2-activating protein, MAP kinase ERK2, NCI-H460, MDA-MB-435, TAK1/TAB1, NON-PROTEIN TARGET, THP-1, MCF7, Nuclear factor NF-kappa-B p65 subunit, SF-268, Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 7, Mitogen-activated protein kinase kinase kinase 7	COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O	D0000017	14	-1.8907673	9.61472	31,18,42,33,14,44,16,43,36,34,23,13,15,22,47	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]
20	CHEMBL2012519		8.95	CHEMBL1955	23	Homo sapiens, None	23	CHEMBL3094, CHEMBL1955, CHEMBL1936, CHEMBL613835, CHEMBL2964, CHEMBL3879801, CHEMBL2171, CHEMBL258, CHEMBL279, CHEMBL4247, CHEMBL3553, CHEMBL1974, CHEMBL4040, CHEMBL612545, CHEMBL5311	Tyrosine-protein kinase TYK2, Vascular endothelial growth factor receptor 3, Serine/threonine-protein kinase receptor R3, Dual specificity mitogen-activated protein kinase kinase 2, Unchecked, Tyrosine-protein kinase LCK, ALK tyrosine kinase receptor, MAP kinase-activated protein kinase 5, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, MV4-11, NON-PROTEIN TARGET, Dual specificity mitogen-activated protein kinase kinase 6, MAP kinase ERK2	COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O	D0000018	14	-1.3676902	10.036481	44,34,33,17,31,43,42,36,14,16,23,13,49,15,22	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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21	CHEMBL2315001		7.77	CHEMBL613107	22	Homo sapiens	22	CHEMBL613107, CHEMBL2034	Glucocorticoid receptor, PBMC	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]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@H]2[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O	D0000019	15	0.0031340583	5.6691904	4,6,7,8,9,10,11,21,32,2,39,20,37,38,40	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 1, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]
22	CHEMBL1559663		6.65	CHEMBL1293235	21	Homo sapiens, None, Influenza A virus	21	CHEMBL1293278, CHEMBL2842, CHEMBL3879801, CHEMBL1293235, CHEMBL1293294, CHEMBL1293298, CHEMBL1293303, CHEMBL1293277, CHEMBL1293237, CHEMBL612545	Geminin, Peripheral myelin protein 22, Ras-related protein Rab-9A, Unchecked, Niemann-Pick C1 protein, NON-PROTEIN TARGET, Bloom syndrome protein, Nonstructural protein 1, Serine/threonine-protein kinase mTOR, Prelamin-A/C	C[C@H]1CCC/C=C/C2C[C@H](O)C[C@@]2(O)C/C=C/C(=O)O1	D0000020	13	-2.322697	8.129465	15,24,23,36,34,42,44,43,0,1,17,31,18,49,48	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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23	CHEMBL1741	CLARITHROMYCIN	7.05	CHEMBL347	21	Escherichia coli, Homo sapiens, Toxoplasma gondii, None, Streptococcus pneumoniae	21	CHEMBL240, CHEMBL1697668, CHEMBL347, CHEMBL354, CHEMBL612888, CHEMBL340, CHEMBL4302, CHEMBL4040, CHEMBL1743121, CHEMBL612545	HERG, Unchecked, Cytochrome P450 3A4, P-glycoprotein 1, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 1B1, Escherichia coli, Streptococcus pneumoniae, MAP kinase ERK2, Toxoplasma gondii	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]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	D0000021	14	0.35127047	4.754086	6,7,8,9,10,11,4,19,32,20,2,39,16,40,26	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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24	CHEMBL1425538		7.3	CHEMBL5619	21	Bacillus subtilis, Oryctolagus cuniculus, Homo sapiens, Schistosoma mansoni, Giardia intestinalis	21	CHEMBL4695, CHEMBL1293255, CHEMBL2608, CHEMBL2392, CHEMBL2095202, CHEMBL1287622, CHEMBL2284, CHEMBL1293224, CHEMBL1293227, CHEMBL1075145, CHEMBL1293235, CHEMBL6110, CHEMBL1293248, CHEMBL4361, CHEMBL1293234, CHEMBL5619, CHEMBL1293237, CHEMBL1293299	Troponin, cardiac muscle, Transitional endoplasmic reticulum ATPase, 15-hydroxyprostaglandin dehydrogenase [NAD+], 4'-phosphopantetheinyl transferase ffp, Histone-lysine N-methyltransferase MLL, Ubiquitin carboxyl-terminal hydrolase 2, Microtubule-associated protein tau, Lethal(3)malignant brain tumor-like protein 1, Glyceraldehyde-3-phosphate dehydrogenase liver, Induced myeloid leukemia cell differentiation protein Mcl-1, DNA-(apurinic or apyrimidinic site) lyase, Bloom syndrome protein, DNA polymerase beta, Lysosomal alpha-glucosidase, Thioredoxin glutathione reductase, Fructose-bisphosphate aldolase A, Putative fructose-1,6-bisphosphate aldolase, Prelamin-A/C	O=C(O[C@@H]1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@@H]2O)[C@H]1O)c1cc(O)c(O)c(O)c1	D0000022	12	-2.771264	9.998269	47,28,31,34,17,44,18,33,43,36,42,13,23,14,16	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]
25	CHEMBL482050		5.5	CHEMBL1293294,CHEMBL1293277	20	Giardia intestinalis, Schistosoma mansoni, Mus musculus, None, Homo sapiens, Saccharomyces cerevisiae	20	CHEMBL1615322, CHEMBL1293231, CHEMBL3797, CHEMBL1293224, CHEMBL6110, CHEMBL5162, CHEMBL1293294, CHEMBL1293234, CHEMBL1293277, CHEMBL612545, CHEMBL1741165, CHEMBL361	Ras-related protein Rab-9A, microRNA 21, Microphthalmia-associated transcription factor, Nuclear receptor ROR-gamma, Unchecked, Microtubule-associated protein tau, Niemann-Pick C1 protein, Neuropeptide S receptor, Serine-protein kinase ATM, Thioredoxin glutathione reductase, Putative fructose-1,6-bisphosphate aldolase, Saccharomyces cerevisiae	CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1	D0000023	12	-2.5578709	9.086903	36,42,24,43,13,34,31,33,44,15,18,20,17,14,16	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]
26	CHEMBL1987060		7.15	CHEMBL612545	17	Homo sapiens, None, Rattus norvegicus, Escherichia coli O157:H7	17	CHEMBL1615322, CHEMBL5162, CHEMBL1293235, CHEMBL1293294, CHEMBL2095183, CHEMBL1293277, CHEMBL4869, CHEMBL612545, CHEMBL613545, CHEMBL5514	Ras-related protein Rab-9A, microRNA 21, Neuropeptide S receptor, Unchecked, Prion protein, Niemann-Pick C1 protein, INS1, Shiga toxin, Huntingtin, Prelamin-A/C	CC1CCC/C=C/C2CC(O)CC2C(O)/C=C/C(=O)O1	D0000024	13	-3.0751045	8.566552	15,20,23,36,42,49,14,44,43,16,34,17,31,18,0	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0]
27	CHEMBL91636		8.96	CHEMBL333,CHEMBL333,CHEMBL4588	17	Homo sapiens, Sus scrofa	17	CHEMBL2200, CHEMBL280, CHEMBL321, CHEMBL283, CHEMBL332, CHEMBL4073, CHEMBL4588, CHEMBL3332, CHEMBL3869, CHEMBL372, CHEMBL3706, CHEMBL333, CHEMBL2963	Matrix metalloproteinase-2, Matrix metalloproteinase 9, Matrix metalloproteinase 3, Matrix metalloproteinase 8, Matrix metalloproteinase 15, Matrix metalloproteinase 14, Matrix metalloproteinase 16, ADAM17, Matrix metalloproteinase 13, Matrix metalloproteinase-1, Matrix metalloproteinase 7, Homo sapiens	CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO	D0000025	15	-0.12744729	7.9593043	3,41,5,38,37,12,46,29,30,49,39,24,23,45,27	[0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]
28	CHEMBL1258348		8.4	CHEMBL3920,CHEMBL3920	17	Homo sapiens	17	CHEMBL299, CHEMBL2996, CHEMBL3616, CHEMBL3045, CHEMBL2938, CHEMBL3582, CHEMBL3920	Protein kinase C beta, Protein kinase C eta, Protein kinase C delta, Protein kinase C gamma, Protein kinase C epsilon, Protein kinase C alpha, Protein kinase C theta	CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cccc(O)c4)O[C@@]1(C3)O2	D0000026	12	-2.6801336	7.6703734	0,1,34,23,44,20,49,12,33,43,36,39,42,5,46	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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29	CHEMBL3902498		9.37	CHEMBL2095194,CHEMBL3991	17	Homo sapiens, None	17	CHEMBL2820, CHEMBL3991, CHEMBL1801, CHEMBL204, CHEMBL1873, CHEMBL3879801, CHEMBL2000, CHEMBL2016, CHEMBL4444, CHEMBL2095194, CHEMBL3286, CHEMBL2821, CHEMBL612545, CHEMBL2319, CHEMBL244	Coagulation factor X, Kallikrein 1, Coagulation factor XI, Unchecked, Thrombin, Coagulation factor IX, Plasminogen, Coagulation factor VII, Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, NON-PROTEIN TARGET, Tissue-type plasminogen activator, Urokinase-type plasminogen activator, Plasma kallikrein, Coagulation factor XII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1	D0000027	16	-0.66864645	8.128372	38,37,5,3,26,34,32,44,18,23,45,0,1,25,33	[0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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30	CHEMBL416615		6.85	CHEMBL1075138	17	Bacillus subtilis, Homo sapiens, Schistosoma mansoni, Saccharomyces cerevisiae, Giardia intestinalis	17	CHEMBL1293226, CHEMBL2608, CHEMBL2392, CHEMBL1293227, CHEMBL1293224, CHEMBL6110, CHEMBL4361, CHEMBL361, CHEMBL1293248, CHEMBL1075138, CHEMBL1293236, CHEMBL1293234, CHEMBL4040, CHEMBL1293237, CHEMBL1293299	4'-phosphopantetheinyl transferase ffp, Histone-lysine N-methyltransferase MLL, ATP-dependent DNA helicase Q1, Ubiquitin carboxyl-terminal hydrolase 2, Tyrosyl-DNA phosphodiesterase 1, Microtubule-associated protein tau, MAP kinase ERK2, Induced myeloid leukemia cell differentiation protein Mcl-1, Bloom syndrome protein, DNA polymerase beta, Lysosomal alpha-glucosidase, Thioredoxin glutathione reductase, Lysine-specific demethylase 4D-like, Putative fructose-1,6-bisphosphate aldolase, Saccharomyces cerevisiae	O=C1OCC2OC(O)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c3oc(=O)c4c(c(O)c(O)c5oc(=O)c2c3c54)-c2c1cc(O)c(O)c2O	D0000028	17	-2.5338812	9.996973	22,47,31,44,36,34,13,23,17,14,18,33,43,16,42	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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31	CHEMBL1796689	LARGAZOLE THIOL	9.4	CHEMBL325,CHEMBL325	15	Homo sapiens, None	15	CHEMBL3192, CHEMBL5103, CHEMBL3310, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 1, Histone deacetylase 11, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10	CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O	D0000029	16	-1.1221762	6.7415824	30,12,35,0,1,46,2,3,39,45,26,41,38,37,32	[0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 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32	CHEMBL3593247		9.4	CHEMBL325	15	Homo sapiens, None	15	CHEMBL3192, CHEMBL5103, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325, CHEMBL2111363	Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10	CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O	D0000030	16	-0.87039405	6.8418493	29,12,35,0,1,39,26,46,2,41,40,45,3,32,48	[0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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33	CHEMBL1668411		9.62	CHEMBL2007	14	Homo sapiens	14	CHEMBL1913, CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL3587, CHEMBL1868, CHEMBL3385, CHEMBL2850, CHEMBL279, CHEMBL1974, CHEMBL4040, CHEMBL262, CHEMBL397	Glycogen synthase kinase-3 alpha, Vascular endothelial growth factor receptor 3, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor 1, Dual specificity mitogen-activated protein kinase kinase 1, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, MAP kinase ERK1, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Glycogen synthase kinase-3 beta, MAP kinase ERK2, Jurkat	COc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O	D0000031	14	-1.8109171	9.733964	17,18,42,33,44,43,36,14,34,16,23,13,22,47,15	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]
34	CHEMBL1136	TELITHROMYCIN	8.62	CHEMBL612558	14	None, Homo sapiens, Plasmodium falciparum	14	CHEMBL240, CHEMBL1697668, CHEMBL612558, CHEMBL1743128, CHEMBL364, CHEMBL1743121, CHEMBL612545, CHEMBL6020	HERG, Unchecked, Bile salt export pump, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 1B1, Plasmodium falciparum, ADMET, Multidrug resistance-associated protein 4	CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C	D0000032	14	0.037006937	4.5778484	21,6,7,8,9,10,11,4,19,31,26,17,44,12,18	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 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35	CHEMBL1651523		7.02	CHEMBL612545	13	Homo sapiens, None	13	CHEMBL1913, CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL3587, CHEMBL2964, CHEMBL4247, CHEMBL1974, CHEMBL279, CHEMBL612545, CHEMBL397	Vascular endothelial growth factor receptor 3, Platelet-derived growth factor receptor beta, Dual specificity mitogen-activated protein kinase kinase 2, Unchecked, ALK tyrosine kinase receptor, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Dual specificity mitogen-activated protein kinase kinase 1, Jurkat	COc1cc(O)c2c(c1)CCCCCC(=O)/C=C\C[C@H](C)OC2=O	D0000033	14	-1.3905952	9.588344	43,44,18,34,42,17,31,36,13,23,14,16,22,47,41	[0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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36	CHEMBL4099337		7.21	CHEMBL5311,CHEMBL5311	13	Homo sapiens	13	CHEMBL5476, CHEMBL1955, CHEMBL4439, CHEMBL2964, CHEMBL5310, CHEMBL5275, CHEMBL1974, CHEMBL279, CHEMBL5311, CHEMBL5903	Vascular endothelial growth factor receptor 3, Serine/threonine-protein kinase receptor R3, Activin receptor type-1, Bone morphogenetic protein receptor type-1A, TGF-beta receptor type I, Dual specificity mitogen-activated protein kinase kinase 2, Bone morphogenetic protein receptor type-1B, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Activin receptor type-1B	COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O	D0000034	14	-0.91661173	9.959358	18,44,33,43,17,42,31,36,23,14,16,13,15,20,22	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]
37	CHEMBL3126408		9.09	CHEMBL612545	13	Homo sapiens, None	13	CHEMBL614917, CHEMBL612558, CHEMBL2732, CHEMBL3879801, CHEMBL399, CHEMBL1828, CHEMBL614392, CHEMBL612545, CHEMBL614879	RKO, DNA polymerase alpha subunit, Unchecked, HeLa, NON-PROTEIN TARGET, SK-MEL-2, DNA polymerase gamma subunit 1, HaCaT, ADMET	CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN(C)C	D0000035	19	-1.6952817	7.201909	0,1,29,30,40,48,12,33,44,20,43,39,34,15,23	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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38	CHEMBL1173442	AIGIALOMYCIN D	6.8	CHEMBL4204	12	Homo sapiens, Plasmodium falciparum	12	CHEMBL4895, CHEMBL3788, CHEMBL3582, CHEMBL308, CHEMBL1974, CHEMBL364, CHEMBL4204, CHEMBL4718, CHEMBL2094128, CHEMBL4036	Tyrosine-protein kinase receptor UFO, Serine/threonine-protein kinase PLK4, Cyclin-dependent kinase 5, Tyrosine-protein kinase receptor FLT3, Cyclin-dependent kinase 2/cyclin A, Protein kinase C epsilon, Plasmodium falciparum, MAP kinase-interacting serine/threonine-protein kinase MNK1, MAP kinase signal-integrating kinase 2, Cyclin-dependent kinase 1	C[C@H]1C/C=C/[C@@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1	D0000036	14	-2.890403	9.363515	42,17,31,43,14,16,23,18,44,34,33,13,15,20,24	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 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39	CHEMBL2203873		10.8	CHEMBL612545	11	Hepatitis C virus, None	11	CHEMBL379, CHEMBL612545	Hepatitis C virus, Unchecked	C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1	D0000037	18	-0.27358767	7.4784408	38,5,27,34,43,0,1,3,33,2,44,18,25,32,26	[0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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40	CHEMBL1672609		10.7	CHEMBL612545	11	Hepatitis C virus, None	11	CHEMBL379, CHEMBL612545	Hepatitis C virus, Unchecked	C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nccc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1	D0000038	18	-0.6106841	7.691323	37,5,27,34,43,33,3,44,18,0,1,42,25,2,26	[0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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41	CHEMBL1242745	PLADIENOLIDE B	9.4	CHEMBL387,CHEMBL614213	11	Homo sapiens, None	11	CHEMBL612545, CHEMBL394, CHEMBL614647, CHEMBL390, CHEMBL1250378, CHEMBL614213, CHEMBL399, CHEMBL387, CHEMBL392	OVCAR-3, PC-3, WiDr, Splicing factor 3B subunit 3, Unchecked, A549, HeLa, MCF7, HCT-116	CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C	D0000039	12	-2.073519	6.7568545	2,0,1,12,46,4,20,49,6,7,8,9,10,11,26	[0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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42	CHEMBL435984	RORIDIN M	7.58	CHEMBL614387	11	Homo sapiens	11	CHEMBL614886, CHEMBL614917, CHEMBL394, CHEMBL614078, CHEMBL614697, CHEMBL614610, CHEMBL612263, CHEMBL614317, CHEMBL614516, CHEMBL614740, CHEMBL614387	RXF 393, UACC-62, A498, MDA-MB-435, NCI-H226, HCT-116, SK-MEL-2, NCI-H522, MDA-N, HCT-15, M14	CC1=C[C@H]2O[C@@H]3[C@H](O)[C@H]4OC(=O)/C=C\C=C\[C@@H]5O[C@H](C/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)O[C@H]5C	D0000040	18	-1.4808704	7.5611725	48,35,0,1,20,15,44,39,34,13,24,12,33,21,6	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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43	CHEMBL264224	ARENASTATIN A	9.89	CHEMBL614328	10	Homo sapiens, None	10	CHEMBL2095182, CHEMBL394, CHEMBL613829, CHEMBL387, CHEMBL614328, CHEMBL612545	NCI/ADR-RES, Unchecked, MCF7, HCT-116, MCF7S, Tubulin	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1	D0000041	16	-1.005601	9.158683	43,42,31,33,17,46,44,18,45,34,25,39,29,30,26	[0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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44	CHEMBL1668418		7.57	CHEMBL2007	10	Homo sapiens	10	CHEMBL1913, CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL3587, CHEMBL1868, CHEMBL1974, CHEMBL279, CHEMBL397	Vascular endothelial growth factor receptor 3, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor 1, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Dual specificity mitogen-activated protein kinase kinase 1, Jurkat	COc1cc(O)c2c(c1)/C=C/CCCC(=O)/C=C/C[C@H](C)OC2=O	D0000042	14	-2.3057606	9.55043	43,17,31,33,36,44,18,34,23,14,16,13,15,20,24	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 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45	CHEMBL1668419		7.05	CHEMBL2007	10	Homo sapiens	10	CHEMBL1913, CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL3587, CHEMBL1868, CHEMBL1974, CHEMBL279, CHEMBL397	Vascular endothelial growth factor receptor 3, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor 1, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Dual specificity mitogen-activated protein kinase kinase 1, Jurkat	COc1cc(O)c2c(c1)CCCCCC(=O)/C=C/C[C@H](C)OC2=O	D0000043	14	-1.1712899	9.640925	33,42,44,18,34,17,31,36,23,13,14,16,15,41,20	[0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1]
46	CHEMBL1651521		8.24	CHEMBL279	10	Homo sapiens, None	10	CHEMBL1936, CHEMBL2041, CHEMBL5147, CHEMBL258, CHEMBL279, CHEMBL4247, CHEMBL3553, CHEMBL4204, CHEMBL4040, CHEMBL612545	Tyrosine-protein kinase TYK2, Tyrosine-protein kinase receptor RET, Unchecked, Tyrosine-protein kinase LCK, ALK tyrosine kinase receptor, Stem cell growth factor receptor, Vascular endothelial growth factor receptor 2, Ephrin type-B receptor 4, MAP kinase ERK2, MAP kinase signal-integrating kinase 2	COc1cc(O)c2c(c1)CCC[C@H](O)CC(=O)/C=C\C[C@H](C)OC2=O	D0000044	14	-1.5604748	10.260626	33,18,43,34,17,31,42,36,23,14,13,16,15,20,24	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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47	CHEMBL1450553		5.4	CHEMBL340,CHEMBL340,CHEMBL340,CHEMBL3356	10	Homo sapiens	10	CHEMBL1293224, CHEMBL3356, CHEMBL340	Cytochrome P450 3A4, Microtubule-associated protein tau, Cytochrome P450 1A2	CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H]1C	D0000045	18	-1.3409067	8.793692	46,41,33,17,31,44,18,29,43,34,42,12,6,7,8	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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48	CHEMBL1836145	THAILANDEPSIN B	8.92	CHEMBL325	10	Homo sapiens	10	CHEMBL3192, CHEMBL3524, CHEMBL1865, CHEMBL3885590, CHEMBL2716, CHEMBL3885591, CHEMBL2111363, CHEMBL325	Histone deacetylase 2/Nuclear receptor corepressor 2, Histone deacetylase 1/Nuclear receptor corepressor 2, Histone deacetylase 1, Histone deacetylase 4, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 7	CCCC[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H]([C@@H](C)CC)[C@@H](O)CC(=O)O2	D0000046	15	-1.6454002	8.631749	36,12,41,45,15,24,39,20,49,16,26,17,23,29,30	[0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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49	CHEMBL449392	CORILAGIN	5.46	CHEMBL612545	10	Human immunodeficiency virus 1, Mus musculus, None, Hepatitis C virus, Homo sapiens, Rattus norvegicus	10	CHEMBL2094266, CHEMBL378, CHEMBL4241, CHEMBL379, CHEMBL612545, CHEMBL612557, CHEMBL2093867, CHEMBL1781	Protein kinase C (PKC), Squalene monooxygenase, Unchecked, DNA topoisomerase I, Human immunodeficiency virus 1, RAW264.7, Hepatitis C virus	O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1	D0000047	12	-2.4169314	10.371712	22,28,31,34,13,17,44,18,33,43,36,42,23,14,16	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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50	CHEMBL136396	VERRUCARRIN M	8.15	CHEMBL614561	10	Homo sapiens	10	CHEMBL614886, CHEMBL614917, CHEMBL614078, CHEMBL614697, CHEMBL614610, CHEMBL612263, CHEMBL614317, CHEMBL614516, CHEMBL614561, CHEMBL614740	RXF 393, UACC-62, A498, MDA-MB-435, NCI-H226, SK-MEL-2, COLO 205, MDA-N, HCT-15, M14	CC1=C[C@H]2O[C@@H]3[C@H](O)[C@H]4OC(=O)/C=C\C=C\C(=O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1	D0000048	18	-1.7156316	7.872256	40,35,20,0,1,13,15,34,24,31,44,23,39,33,43	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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51	CHEMBL70590	BORRELIDIN	9.3	CHEMBL613979	10	Saccharomyces cerevisiae S288c, Homo sapiens, None, Saccharomyces cerevisiae, Phytophthora sojae	10	CHEMBL614129, CHEMBL614197, CHEMBL3879801, CHEMBL5213, CHEMBL2366435, CHEMBL613979, CHEMBL384, CHEMBL361	HT-29, HUVEC, MDA-MB-361, NON-PROTEIN TARGET, Threonyl-tRNA synthase, Cell division control protein 28, Saccharomyces cerevisiae, NCI-N87	C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1	D0000049	18	-3.0748832	8.910397	36,15,24,14,18,16,23,17,44,20,0,1,31,43,34	[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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381 KiB Raw Permalink Blame History

381 KiB

Raw Permalink Blame History