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--
-- Database: `neurodb`
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-- --------------------------------------------------------
--
-- Table structure for table `alldrug`
--
CREATE TABLE IF NOT EXISTS `alldrug` (
`osr1` bigint(200) NOT NULL,
`osr2` varchar(500) NOT NULL,
`osr3` varchar(500) NOT NULL,
`osr4` varchar(500) NOT NULL,
`osr5` varchar(500) NOT NULL,
`osr6` varchar(500) NOT NULL,
`osr7` varchar(500) NOT NULL,
`osr8` varchar(500) NOT NULL,
`osr9` varchar(500) NOT NULL,
`osr10` varchar(500) NOT NULL,
`osr11` varchar(500) NOT NULL,
`osr12` varchar(500) NOT NULL,
`osr13` varchar(500) NOT NULL,
`osr14` varchar(500) NOT NULL,
`osr15` varchar(500) NOT NULL,
`osr16` varchar(500) NOT NULL,
`osr17` varchar(500) NOT NULL,
`osr18` varchar(500) NOT NULL,
`osr19` varchar(500) NOT NULL,
`osr20` varchar(500) NOT NULL,
`osr21` varchar(500) NOT NULL,
`osr22` varchar(500) NOT NULL,
`osr23` varchar(11) NOT NULL,
`osr24` varchar(500) NOT NULL,
`osr25` varchar(500) NOT NULL,
`osr26` varchar(500) NOT NULL,
`osr27` varchar(500) NOT NULL,
`osr28` varchar(500) NOT NULL,
`osr29` varchar(500) NOT NULL,
`osr30` varchar(500) NOT NULL,
`osr31` varchar(500) NOT NULL,
`osr32` varchar(500) NOT NULL,
`osr33` varchar(500) NOT NULL,
`osr34` varchar(500) NOT NULL,
`osr35` varchar(500) NOT NULL,
`osr36` varchar(500) NOT NULL,
`osr37` varchar(500) NOT NULL,
`osr38` varchar(500) NOT NULL,
`osr39` varchar(500) NOT NULL,
`osr40` varchar(500) NOT NULL,
`osr41` varchar(500) NOT NULL,
`osr42` varchar(500) NOT NULL,
`osr43` varchar(500) NOT NULL,
`osr44` varchar(500) NOT NULL,
`osr45` varchar(500) NOT NULL,
`osr46` varchar(500) NOT NULL,
`osr47` varchar(500) NOT NULL,
`osr48` varchar(500) NOT NULL,
`osr49` varchar(500) NOT NULL,
`osr50` varchar(500) NOT NULL,
`osr51` varchar(500) NOT NULL,
`osr52` varchar(500) NOT NULL,
`osr53` varchar(500) NOT NULL,
`osr54` varchar(500) NOT NULL,
`osr55` varchar(500) NOT NULL,
`osr56` varchar(500) NOT NULL,
`osr57` varchar(500) NOT NULL,
`osr58` varchar(500) NOT NULL,
`osr59` varchar(500) NOT NULL,
`osr60` varchar(500) NOT NULL,
`osr61` varchar(500) NOT NULL,
`osr62` varchar(500) NOT NULL,
`osr63` varchar(500) NOT NULL,
`osr64` varchar(500) NOT NULL,
`osr65` varchar(500) NOT NULL
) ENGINE=InnoDB DEFAULT CHARSET=latin1;
--
-- Dumping data for table `alldrug`
--
INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
(1, '1', 'Not Available', 'Cc1ccc(C)n1c2ccc(C(=O)O)c(O)c2', '4-(2,5-dimethylpyrrol-1-yl)-2-hydroxy-benzoic acid', 'CYAAFQwA^dwQSI^JFNt13yJB8cYmyZlXHiQoFkcpAPdGjU7WjUybUepbdTZRJ1qjeqMx^wdmIEr1Qqd0rTYX0B5fGnhcfuH^qr5r6hdriT4Iy5$9iBWGMbTnB6pfDAhAtcPYgT0QiNyUCdAjsZYJM2On9RqcqEo24pnriXTgyMq7gRRSO3YZQeKFsINmDjcUKO220FlX FHC8nImiFuMfLSJaUgSWeD96XooVZIX3HxmUtoQ0RK1md76daz7StWcATZYKo4C7q4lIKOicRjy7pQ3IVemdbbLBroQPxtkCmgiJlpxZ3tAmynoH5OkFzC1lRak2IWcNgmbLv5ZKwjoqTJivaZDnIu6YYiP4uVv0ErjdF5960ZqnKaMwd9OqhGcUMQRrxIH1fr0I8S6u UkkZYZjURK31vXaEkTVXo0dHolqeXvEmik6usO36dEoV94hdUPtf8629vqcXEK1JuVPpDcEf7Ktyq8jPkJiKgvYoFiFvyWM5', 'InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-11(13(16)17)12(15)7-10/h3-7,15H,1-2H3,(H,16,17)', 'AuxInfo=1/1/N:3,4,15,14,6,5,10,13,12,8,7,9,1,11,2,16,17/E:(1,2)(3,4)(8,9)(16,17)/rA:17COCCCCCCCCNCCCCOO/rB:;;;;s5;s1d+5;d-6;s2s7;s8d+9;s8;s4s11;s3s11;d+12;d+13s14;s1;d1;/rC:10.9314,-3.5126,.0006;8.432 4,-5.0181,-.0016;8.2767,-9.8598,.0011;13.5264,-9.8692,-.0011;12.0483,-5.6556,.0017;12.0386,-7.1188,.0015;10.9058,-4.9784,.0006;10.8981,-7.8153,.0005;9.6407,-5.7058,-.0005;9.6394,-7.0367,-.0006;10.8983 ,-9.322,.0001;12.0476,-10.211,-.0005;9.7504,-10.2071,.0003;11.6289,-11.4745,-.0009;10.1651,-11.4', 'WAYCNXGAKFXIKA-UHFFFAOYSA-N', '1010:J177CVPU822Y1G2B1PE3CPNHGGTJ17', '[#6](=[#8])(-[#8])-[c](:[c](-[#8]):[c]:[c](-[n]1:[c](-[#6]):[c]:[c]:[c]1-[#6]):[c]2):[c]2', 'C(=O)(O)c(c(O)cc(n1c(C)ccc1C)c2)c2', '02.385', '2.385', '0', '0', 'TRUE', '0.2926\r\n-0.3601\r\n-2.88e-002\r\n-2.88e-002\r\n-4.47e-002\r\n-4.24e-002\r\n7.68e-002\r\n2.85e-002\r\n8.62e-002\r\n-1.24e-002\r\n-0.2224\r\n5.e-004\r\n5.e-004\r\n-4.66e-002\r\n-4.66e-002\r\n-0.3278\r\n-0.2608', '0', '0.904', 'C13H13NO3', '0231.09', '-3.22', '0231.247', '-3.7 -3.47 9.1', '1', '1', '1', '6', '11', '2', '17', '18', '6', '6', '004', '02', '13', '0', '2', '002', '0062.46', '243.02', 'Molecule has implicit hydrogens, 3D Descriptor calculation may not give useful results', '4.12466', '1.4137', '51.51', '23.41', '6.87617', '28.1', '913.854', '129.476', '184.19', '', 'C(/C2=C/C=C(N1/C(C)=C\\C=C1\\C)\\C=C2\\O)(O)=O', 'Cc1ccc(C)n1c2ccc(C(=O)O)c(O)c2', 'Compound_23', 'Not Available', 'Ephrin type-A receptor 4', 'Not Available', 'Under Investigation', 'Amyotrophic Lateral Sclerosis (ALS)', '22922411', 'Amyotrophic Lateral Sclerosis (ALS)', 'AMYOTROPHIC LATERAL SCLEROSIS 1, FAMILIAL; FALS\nAMYOTROPHIC LATERAL SCLEROSIS 1, AUTOSOMAL DOMINANT; Lou Gehrig Disease'),
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(17, '17', 'Not Available', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '1OP-2198', 'Not Available', 'Potassium voltage-gated channel subfamily KQT member 1', 'Not Available', 'Under Investigation', 'Epilepsy', '28111749', 'Epilepsy', 'LANDAU-KLEFFNER SYNDROME, INCLUDED; LKS, INCLUDED\nCONTINUOUS SPIKE AND WAVES DURING SLOW-WAVE SLEEP SYNDROME, INCLUDED; CSWS, INCLUDED; CSWSS, INCLUDED\nROLANDIC EPILEPSY, MENTAL RETARDATION, AND SPEECH DYSPRAXIA, AUTOSOMAL DOMINANT, INCLUDED; RESDAD, INCLUDED; ADRESD, INCLUDED\nBENIGN EPILEPSY OF CHILDHOOD WITH CENTROTEMPORAL SPIKES, INCLUDED; BECTS, INCLUDED'),
(18, '18', 'Not Available', 'CCCN(CC(=O)N(CCC)CC(=O)N(CC(=O)N)Cc1cn(CCCNC(=N)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)C(=N)N)nn1)C(=O)CNCc5cn(CCCNC(=N)c6ccc(cc6)c7oc(cc7)c8ccc(cc8)C(=N)N)nn5', 'N-[2-[[2-[(2-amino-2-oxo-ethyl)-[[1-[3-[[4-[5-(4-carbamimidoylphenyl)-2-furyl]benzenecarboximidoyl]amino]propyl]triazol-4-yl]methyl]amino]-2-oxo-ethyl]-propyl-amino]-2-oxo-ethyl]-2-[[1-[3-[[4-[ 5-(4-carbamimidoylphenyl)-2-furyl]benzenecarboximidoyl]amino]propyl]triazol-4-yl]methylamino]-N-propyl-acetamide', 'CYAAFQwA0cwQuW$WKKy^I9$AZ7elbPiE0R68kZfId6Ub^xQJW011VGf0VEhUmDKElf4OVHXD43LwLWqYF5xDl91rhVcyPwNWS9h^YXUEDhLizF8xImmd61XGM1bfX^$L^^WV39zzm6^vrvuWxqGtLSgNc71tP7epvuFs$f9z1Ks863k0q2ox7b44jaY7YxcUctWAnABf K1EfTISHVp019v^u1fsct0rIcqlvcPB2JVUJ4OOfxZWiqEPUgNutJWTaiI$4860wDti4RR8PP4VoFX^npBPn3sw7jimyMx35nshSflqIbllnkhMfD3SbdLd9N$5DOljrmrOt3F6ky^ef1qAPgrQdS1561g9vH2854NNysrYozPH65B^nqPbb0Tr3x7bssy9QHU$AzPtT mqPWrcztJ^VDQoFcucgrtu^qOfzT4NNT$05VfnScivr81IC8WM7zeE9lPaHud319VF2WRufjCVv$wVSl49VqnL0aNLn^Weg8', 'InChI=1S/C62H73N19O6/c1-3-29-77(56(83)34-70-33-49-36-80(75-73-49)31-5-27-71-61(68)47-19-11-43(12-20-47)53-25-23-51(86-53)41-7-15-45(16-8-41)59(64)65)39-57(84)78(30-4-2)40-58(85)79(38-55(63)82)35-50-37 -81(76-74-50)32-6-28-72-62(69)48-21-13-44(14-22-48)54-26-24-52(87-54)42-9-17-46(18-10-42)60(66)67/h7-26,36-37,70H,3-6,27-35,38-40H2,1-2H3,(H2,63,82)(H3,64,65)(H3,66,67)(H2,68,71)(H2,69,72)', 'AuxInfo=1/1/N:54,47,53,46,63,27,79,80,8,12,70,71,19,20,81,82,7,11,68,69,21,22,77,15,75,17,64,26,52,45,62,28,56,51,34,59,30,36,44,40,78,10,72,18,83,9,67,23,57,32,76,13,73,16,37,50,43,39,85,2,66,24,38,8 6,87,1,84,3,6,55,65,25,58,33,60,31,49,42,35,61,29,5,48,4,41,74,14/E:(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(64,65)(66,67)/rA:87NCNOONCCCCCCCOCCCCCCCCCCNCCCNCNCNCNCCNCCONCCCCCONCCCCCNCCNC NNCCCNCCCCCCCCOCCCCCCCCCNCNN/rB:s1;;;;;;s7;s2d+7;d-8;s9;s10d-11;s10;s13;d+13;s14;s15d-16;s16;s18', 'RDSJKXGFAMVXAU-UHFFFAOYSA-N', '1010:6A32PXMWTNGNX1ZJFC8SYMZ8EQDB1G', '[#7]-[#6](=[#7])-[c](:[c]:[c]:[c](-[c]1:[c]:[c]:[c](-[c]2:[c]:[c]:[c](-[#6](-[#7]-[#6]-[#6]-[#6]-[n]3:[n]:[n]:[c](-[#6]-[#7](-[#6](=[#8])-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=[#8])-[#6]-[#7](-[#6]-[#6]-[# 6])-[#6](=[#8])-[#6]-[#7]-[#6]-[c]4:[c]:[n](-[#6]-[#6]-[#6]-[#7]-[#6](-[c]5:[c]:[c]:[c](-[c]6:[c]:[c]:[c](-[c]7:[c]:[c]:[c](-[#6](=[#7])-[#7]):[c]:[c]7):[o]6):[c]:[c]5)=[#7]):[n]:[n]4)-[#6]-[#6](=[#8] )-[#7]):[c]3)=[#7]):[c]:[c]2):[o]1):[c]8):[c]8', 'NC(=N)c(ccc(c1ccc(c2ccc(C(NCCCn3nnc(CN(C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CNCc4cn(CCCNC(c5ccc(c6ccc(c7ccc(C(=N)N)cc7)o6)cc5)=N)nn4)CC(=O)N)c3)=N)cc2)o1)c8)c8', '03.65', '3.65', '0', '0', 'TRUE', '-0.287\r\n0.1013\r\n-0.2891\r\n-0.2757\r\n-0.2761\r\n-0.2891\r\n-5.12e-002\r\n-5.17e-002\r\n1.04e-002\r\n5.3e-003\r\n-5.12e-002\r\n-5.17e-002\r\n8.93e-002\r\n-0.3092\r\n-2.8e-002\r\n8.93e-002\r\n-2.8e-002\r\n5.3e-003\r\n-5.17e-002\r\n-5.17e-002\r\n-5.12e-002\r\n-5.12e-002\r\n1.07e-002\r\n0.1041\r\n-0.2', '0', '2.937', 'C62H73N19O6', '1179.6', '-12.274', '1180.37', '0.66 4.07 7.44 11.13 11.13 11.49 11.49', '10', '6', '8', '42', '44', '8', '87', '94', '20', '28', '025', '13', '73', '0', '8', '034', '0375.24', '1,255.45', '', '', '', '', '', '', '', '', '', '', '', 'NC(/C/8=C/C=C(/C7=C/C=C(/C/6=C/C=C(C(=N)NCCCN/5/C=C(CN(CC(N)=O)C(CN(C(CN(C(CNC/C\\4=C/N(CCCNC(=N)/C/3=C/C=C(/C2=C/C=C(/C/1=C/C=C(C(N)=N)\\C=C1)\\O2)\\C=C3)/N=N4)=O)CCC)=O)CCC)=O)\\N=N5)\\C=C6)\\O7)\\C=C8)=N', 'CCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc4cn(CCCNC(=N)c3ccc(c2ccc(c1ccc(C(=N)N)cc1)o2)cc3)nn4)C(=O)CNCc8cn(CCCNC(=N)c7ccc(c6ccc(c5ccc(C(=N)N)cc5)o6)cc7)nn8', '2AU-2', 'Not Available', 'r(AUUCU)exp in ATXN10 gene', 'Not Available', 'Under Investigation', 'Spinocerebellar Ataxia 10', '27248057', 'Spinocerebellar Ataxia 10', 'SCA10');
INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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(22, '22', 'Not Available', 'CC(C)c1oc(nc1)C(=O)Nc2ccccc2', '5-isopropyl-N-phenyl-oxazole-2-carboxamide', 'CYAAFQwADfwQWmd0Iu^EcX0KTo2Zb10rNr2Of^2fzuniayfjO5l1rnTXTY4jxMen0mIjfFn4xF8aYhkvUT15Bromvy4QwoxivKFDMBr2SRk35rEW3ZJOXODIHEcmH^eeLIpobaJxkJ3QOXup6x$u2LIeTpI$3RxhCGXOnsAGFWjT1lz^5YPHypmdz43x^s3d67Tdm2f7 4cZNXHj3LQBXvm3m3m325t89xFKRzdl48K^rJjrp8seTZaMljbxCJ8n^g7ekXmAzY6Q^bHUXbIb4Ln2EyS8sQdxnpUOtz9mMrPBlULSKIqpjTsftLGDfOrGkWujg3J17rzm86qqT5jYOgq7KGqhKXgZozZxJSIcIw4$4RSHoe6kF8eO2PxDAxE^xLg^1gS77ZB', 'InChI=1S/C13H14N2O2/c1-9(2)11-8-14-13(17-11)12(16)15-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,16)', 'AuxInfo=1/1/N:16,17,6,4,5,2,3,14,15,1,13,8,10,12,7,9,11/E:(1,2)(4,5)(6,7)/rA:17CCCCCCNCOCONCCCCC/rB:s1;d-1;d-2;s3;s4d-5;s1;s7;d8;s8;s10;d+10;s11;s12d-13;s13;s15;s15;/rC:7.3259,-7.2998,0;7.3259,-8.1248 ,0;6.6114,-6.8873,0;6.6114,-8.5373,0;5.8969,-7.2998,0;5.8969,-8.1248,0;8.0404,-6.8873,0;8.7549,-7.2998,0;9.4693,-6.8873,0;8.7549,-8.1248,0;9.4223,-8.6098,0;8.0874,-8.6098,0;9.1674,-9.3944,0;8.3424,-9. 3944,0;9.6523,-10.0619,0;10.4728,-9.9756,0;9.3168,-10.8155,0;', 'XOKRHZOIJIGPSA-UHFFFAOYSA-N', '1010:SPWJXKC2V43RGVACC5YXTWEH7E5Z5U', '[c]1(-[#7]-[#6](-[c]2:[n]:[c]:[c](-[#6](-[#6])-[#6]):[o]2)=[#8]):[c]:[c]:[c]:[c]:[c]1', 'c1(NC(c2ncc(C(C)C)o2)=O)ccccc1', '02.193', '2.193', '0', '0', 'TRUE', '3.29e-002\r\n-4.08e-002\r\n-4.08e-002\r\n-6.04e-002\r\n-6.04e-002\r\n-6.22e-002\r\n-0.2782\r\n0.2905\r\n-0.2673\r\n0.2365\r\n-0.29\r\n-0.2254\r\n8.23e-002\r\n5.69e-002\r\n1.9e-003\r\n-5.67e-002\r\n-5.67e-002', '0', '2.193', 'C13H14N2O2', '0230.106', '-3.576', '0230.262', '-3.24 0.9', '3', '1', '1', '6', '11', '2', '17', '18', '4', '6', '004', '01', '14', '0', '2', '003', '0055.13', '248.25', '', '', '', '', '', '', '', '', '', '', '', 'C\\2(/NC(=O)/C1=N/C=C(C(C)C)\\O1)=C\\C=C/C=C2', 'CC(C)c2cnc(C(=O)Nc1ccccc1)o2', '4m', 'Not Available', 'Survival Motor Neuron Protein', 'Not Available', 'Under Investigation', 'Spinal Muscular Atrophy Type I', '28481536', 'Spinal Muscular Atrophy Type I', 'SPINAL AND BULBAR MUSCULAR ATROPHY; SBMA\nKENNEDY DISEASE; KD\nKENNEDY SPINAL AND BULBAR MUSCULAR ATROPHY\nBULBOSPINAL MUSCULAR ATROPHY, X-LINKED\nBULBOSPINAL NEURONOPATHY, X-LINKED RECESSIVE; XBSN; ; SMA1'),
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INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
(37, '1986', '1986', 'CC(=O)Nc1nnc(s1)S(=O)(=O)N', 'N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide', 'CYAAFQwABcwQ9nm5agUtz3vZf7E36bfpC8Ye54gbeO92pZUrfR08sBle1zJXW^xXm2lF7OEzndCz7NTl5R5qczEqTutrpdHT3TFyfHZCKL4aWR6UK0CJmtTtM$lBP4OiwIxT7RtkmSIDD4Q9whml8aegBtjtHVJjSNZgEV65C80MLG8lv0Fh4TxkJnHmlYm8zu1jtwTr 84UJcCKkxM$ce6hbsZcKD84MmF8Z5SUzic45r7JchOMU6U1lmV4jVesnesJlKW^EsCtknXzBW5eL90whrTDpeARUzIRV57vjRtc32w7jbW17RZ$Rfm3B375J23yj$Qrba^61Xk4qoezai1UWBxj6snXm9288b9gSvylRu1O6zVib0S27Rzn055O0Ghlo7EVRsO^TLO^V f1HS6VPL65UrfWi4Lv1BaIlXuvyGne6epnrofDVq2IKiBce53FYXg$IEG8ObHAkqodAfImwB9EwdzSnWcDE3odaglC1BBA0u', 'InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)', 'AuxInfo=1/1/N:13,12,11,10,8,6,9,7,5,3,4,2,1/E:(10,11)/CRV:13.6/rA:19SSOOONNNNCCCCHHHHHH/rB:;d1;d1;;;;s1;s7;s1s2d+7;s2s6d-9;d5s6;s12;s6;s8;s8;s13;s13;s13;/rC:-3.0413,.1096,-.0849;-.3004,1.2561,-.0551;- 3.2804,1.4106,-.7138;-3.5976,-1.1019,-.6884;3.6277,-1.2076,.0479;2.273,.7117,-.0033;-.6907,-1.2763,-.0231;-3.6357,.2114,1.5313;.683,-1.1093,-.0015;-1.3219,-.122,-.0519;1.0438,.1727,-.0151;3.5294,.0106 ,.0277;4.7111,.9345,.0303;2.3074,1.7278,-.0193;-3.5872,-.6498,2.0909;-3.3608,1.0446,2.0673;4.740', 'BZKPWHYZMXOIDC-UHFFFAOYSA-N', '1010:3GCY54WAE8MJ3BX5WD8QQ4RQRGFTZE', '[#16](-[c]1:[n]:[n]:[c](-[#7](-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])=[#8]):[s]1)(-[#7](-[#1])-[#1])(=[#8])=[#8]', 'S(c1nnc(N([H])C(C([H])([H])[H])=O)s1)(N([H])[H])(=O)=O', '-01.329', '-0.579', '0', '0', 'TRUE', '1.442\r\n-4.94e-002\r\n-0.568\r\n-0.568\r\n-0.2777\r\n-0.2631\r\n-0.1601\r\n-0.3839\r\n-0.1281\r\n0.1103\r\n0.1855\r\n0.2143\r\n1.3e-002\r\n0.1577\r\n8.8e-002\r\n8.8e-002\r\n3.28e-002\r\n3.28e-002\r\n3.39000000000001e-002', '0', '-1.274', 'C4H6N4O3S2', '0221.988', '-1.038', '0222.245', '7.4', '5', '2', '3', '5', '05', '1', '13', '13', '11', '5', '007', '03', '6', '0', '1', '002', '0151.65', '205.44', '', '4.87619', '1.3536', '42.02', '13.87', '3.5067', '28.15', '429.136', '277.414', '143.71', '179.89', 'S(=O)(=O)(N([H])[H])/C1=N/N=C(N(C(=O)C([H])([H])[H])[H])\\S1', 'CC(=O)Nc1nnc(S(N)(=O)=O)s1', 'Acetazolamide', 'acetazolamide\nacetamox\nacetazolamid\ncidamex\nnephramide\nacetazolamide sodium', 'Small conductance calcium-activated potassium channel protein 2', '1986', 'Under Investigation', 'Kleine-Levin Syndrome', '25317098', 'Kleine-Levin Syndrome', 'HYPP , ADYNAMIA EPISODICA HEREDITARIA WITH OR WITHOUT MYOTONIA\nGAMSTORP DISEASE'),
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INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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(311, '311', 'Not Available', 'Nc1nc2ccccc2nc1NC(=O)c3ccc(cc3)N4CCCCC4', 'N-(3-aminoquinoxalin-2-yl)-4-(1-piperidyl)benzamide', 'CYAAFQwAxdwQhougfR8akeTzL1apUOb0rC6Io9$owTan4Q9PB7DwTBhKP57agf98YH2JhMbX6e^d6BFLjSn^FnapNG4LaR7yJwqDKF^KAyRHLGhPE^gIPRXyCIyWMS2naOZGyUCka4MwpwODoOTf9EorzsJz1h2xi6cJsGzDj5RcqvBcE6btqwtVzH95er^^mf9rLdNU jjL7OeSN9n7lTenMep673eOQhPHnofCYWTO30Wk6FVYwN^nbpHZTCyR8Not37nOXB7Aa4uFS$^ul532^lOn7iwuH$lpMNerjXyxc5i75n2zVHjdV25eZztjDaLsYUueOwdjh857cOz5r9t2SPw35G1bOmNp2bPf4FzURzKITURc2^AZsqzxXmzcRiNZBmArqI10mYLSx fDkWjvNb4Ydwipsd5Mm3EWUmsYBZTMrJW7YNpqa70kAqinpDRFK6uOUjZ6zFJzURTKIL$kY2w3iTyBvCPzIP^YsuxDZTbB', 'InChI=1S/C20H21N5O/c21-18-19(23-17-7-3-2-6-16(17)22-18)24-20(26)14-8-10-15(11-9-14)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13H2,(H2,21,22)(H,23,24,26)', 'AuxInfo=1/1/N:26,6,5,24,25,4,3,14,15,16,17,22,23,13,18,2,1,10,8,12,20,9,7,11,21,19/E:(4,5)(8,9)(10,11)(12,13)/rA:26CCCCCCNCNCNCCCCCCCONNCCCCC/rB:s1;d-1;d-2;s3;s4d-5;s1;d-7;s2;s8d-9;s8;s11;s12;s13;d+13 ;d-14;s15;s16d-17;d12;s10;s18;s21;s21;s22;s23;s24s25;/rC:5.6986,-10.7642,0;6.1111,-11.4787,0;4.8736,-10.7642,0;5.6986,-12.1932,0;4.4611,-11.4787,0;4.8736,-12.1932,0;6.1111,-10.0498,0;6.9361,-10.0498,0 ;6.9361,-11.4787,0;7.3486,-10.7642,0;7.3486,-9.3353,0;8.1737,-9.3353,0;8.5862,-10.0498,0;9.4112,', 'XSZAEOSYXLTWAC-UHFFFAOYSA-N', '1010:SZPRBJ6Z965XEZ2U3HVFTFVH2APNPE', '[c]12:[c](:[n]:[c](-[#7]):[c](-[#7]-[#6](=[#8])-[c]3:[c]:[c]:[c](-[#7]4-[#6]-[#6]-[#6]-[#6]-[#6]4):[c]:[c]3):[n]1):[c]:[c]:[c]:[c]2', 'c12c(nc(N)c(NC(=O)c3ccc(N4CCCCC4)cc3)n1)cccc2', '03.489', '3.489', '0', '0', 'TRUE', '9.1e-002\r\n9.07e-002\r\n-3.42e-002\r\n-3.42e-002\r\n-6.e-002\r\n-6.e-002\r\n-0.2277\r\n0.1619\r\n-0.2314\r\n0.1443\r\n-0.2633\r\n0.2484\r\n3.75e-002\r\n-4.81e-002\r\n-4.81e-002\r\n-4.33e-002\r\n-4.33e-002\r\n1.72e-002\r\n-0.2715\r\n-0.2839\r\n-0.275\r\n3.e-003\r\n3.e-003\r\n-4.e-002\r\n-4.e-002\r\n-5.09e-002', '0', '3.34', 'C20H21N5O', '0347.175', '-4.773', '0347.414', '5.51 7.02', '3', '2', '1', '11', '17', '3', '26', '29', '4', '9', '006', '03', '21', '0', '4', '003', '0084.14', '350.75', '', '', '', '', '', '', '', '', '', '', '', 'C/1\\4=C/C=C\\C=C1\\N=C(N)/C(NC(/C/3=C/C=C(N2CCCCC2)\\C=C3)=O)=N4', 'Nc2nc1ccccc1nc2NC(=O)c4ccc(N3CCCCC3)cc4', 'Compound 11a - 22019465', 'Not Available', 'BACE1 (beta-secretase)', 'Not Available', 'Under Investigation', 'Alzheimer disease (AD)', '22019465', 'Alzheimer disease (AD)', 'PRESENILE AND SENILE DEMENTIA'),
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(313, '313', 'Not Available', 'Nc1nc2ccccc2nc1NC(=O)c3ccc(cc3)N4CCCCC4', 'N-(3-aminoquinoxalin-2-yl)-4-(1-piperidyl)benzamide', 'CYAAFQwAxdwQhougfR8akeTzL1apUOb0rC6Io9$owTan4Q9PB7DwTBhKP57agf98YH2JhMbX6e^d6BFLjSn^FnapNG4LaR7yJwqDKF^KAyRHLGhPE^gIPRXyCIyWMS2naOZGyUCka4MwpwODoOTf9EorzsJz1h2xi6cJsGzDj5RcqvBcE6btqwtVzH95er^^mf9rLdNU jjL7OeSN9n7lTenMep673eOQhPHnofCYWTO30Wk6FVYwN^nbpHZTCyR8Not37nOXB7Aa4uFS$^ul532^lOn7iwuH$lpMNerjXyxc5i75n2zVHjdV25eZztjDaLsYUueOwdjh857cOz5r9t2SPw35G1bOmNp2bPf4FzURzKITURc2^AZsqzxXmzcRiNZBmArqI10mYLSx fDkWjvNb4Ydwipsd5Mm3EWUmsYBZTMrJW7YNpqa70kAqinpDRFK6uOUjZ6zFJzURTKIL$kY2w3iTyBvCPzIP^YsuxDZTbB', 'InChI=1S/C20H21N5O/c21-18-19(23-17-7-3-2-6-16(17)22-18)24-20(26)14-8-10-15(11-9-14)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13H2,(H2,21,22)(H,23,24,26)', 'AuxInfo=1/1/N:26,6,5,24,25,4,3,14,15,16,17,22,23,13,18,2,1,10,8,12,20,9,7,11,21,19/E:(4,5)(8,9)(10,11)(12,13)/rA:26CCCCCCNCNCNCCCCCCCONNCCCCC/rB:s1;d-1;d-2;s3;s4d-5;s1;d-7;s2;s8d-9;s8;s11;s12;s13;d+13 ;d-14;s15;s16d-17;d12;s10;s18;s21;s21;s22;s23;s24s25;/rC:5.6986,-10.7642,0;6.1111,-11.4787,0;4.8736,-10.7642,0;5.6986,-12.1932,0;4.4611,-11.4787,0;4.8736,-12.1932,0;6.1111,-10.0498,0;6.9361,-10.0498,0 ;6.9361,-11.4787,0;7.3486,-10.7642,0;7.3486,-9.3353,0;8.1737,-9.3353,0;8.5862,-10.0498,0;9.4112,', 'XSZAEOSYXLTWAC-UHFFFAOYSA-N', '1010:SZPRBJ6Z965XEZ2U3HVFTFVH2APNPE', '[c]12:[c](:[n]:[c](-[#7]):[c](-[#7]-[#6](=[#8])-[c]3:[c]:[c]:[c](-[#7]4-[#6]-[#6]-[#6]-[#6]-[#6]4):[c]:[c]3):[n]1):[c]:[c]:[c]:[c]2', 'c12c(nc(N)c(NC(=O)c3ccc(N4CCCCC4)cc3)n1)cccc2', '03.489', '3.489', '0', '0', 'TRUE', '9.1e-002\r\n9.07e-002\r\n-3.42e-002\r\n-3.42e-002\r\n-6.e-002\r\n-6.e-002\r\n-0.2277\r\n0.1619\r\n-0.2314\r\n0.1443\r\n-0.2633\r\n0.2484\r\n3.75e-002\r\n-4.81e-002\r\n-4.81e-002\r\n-4.33e-002\r\n-4.33e-002\r\n1.72e-002\r\n-0.2715\r\n-0.2839\r\n-0.275\r\n3.e-003\r\n3.e-003\r\n-4.e-002\r\n-4.e-002\r\n-5.09e-002', '0', '3.34', 'C20H21N5O', '0347.175', '-4.773', '0347.414', '5.51 7.02', '3', '2', '1', '11', '17', '3', '26', '29', '4', '9', '006', '03', '21', '0', '4', '003', '0084.14', '350.75', '', '', '', '', '', '', '', '', '', '', '', 'C/1\\4=C/C=C\\C=C1\\N=C(N)/C(NC(/C/3=C/C=C(N2CCCCC2)\\C=C3)=O)=N4', 'Nc2nc1ccccc1nc2NC(=O)c4ccc(N3CCCCC3)cc4', 'Compound 11a - 22019465', 'Not Available', 'Histamine H3 receptor', 'Not Available', 'Under Investigation', 'Alzheimer disease (AD)', '22019465', 'Alzheimer disease (AD)', 'PRESENILE AND SENILE DEMENTIA'),
(314, '314', 'Not Available', 'COc1cc(\\C=C\\C(=O)OCC2CCN(Cc3ccccc3)CC2)ccc1O', '(1-benzyl-4-piperidyl)methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate', 'CYAAFQwA9cwQMeHxQfBwY8iDFHPaL77YkHZRIvM05^MrdsE8IvP$DvSFv2i7ZyH3FvJ4ZR$NSpx7fljCB6UmkkjNqqNXD5hZrKfe0e1^G08DniEaFgK^gTks1yang6j$t65NAh3Aj4oM1U4Z4plyl3OhsOupBO0YcqurTjeSJfm5OmbpjgYT8qVHT^VIBNfDDJOM1pPm fkpupLcOdvTegyL8YYafam^5vwpb8Wjay8VIfyLntXx124^s9OR9Zf3X^W67nv6NfkLkPavoUl^597zJ882y9T6zmvxodU9rzP3z3P1$YtO2INy7zvY9DC0$d3nIQ$sv$ezv^$HPO1GdDEXn9Z^v4NCOk$XrPlyJ2xlBXFAtgfmdDKzdGgMUpVJfZgFmjBWKybB0QCLD pywm02AkbGFBGkBXAXNdd9d6gxTZAACqoQg1HkGgAuHZBwdmHIXZOkMnLWHUyEYva8QfUhD0nL6GNbZosVtAdPqugnR7YhX6', 'InChI=1S/C23H27NO4/c1-27-22-15-18(7-9-21(22)25)8-10-23(26)28-17-20-11-13-24(14-12-20)16-19-5-3-2-4-6-19/h2-10,15,20,25H,11-14,16-17H2,1H3/b10-8+', 'AuxInfo=1/0/N:28,1,2,3,4,5,9,13,11,14,19,20,21,22,8,24,17,7,6,18,12,10,15,23,26,25,27,16/E:(3,4)(5,6)(11,12)(13,14)/rA:28CCCCCCCCCCCCCCCOCCCCCCNCOOOC/rB:s1;d-1;d-2;s3;s4d-5;;s7;d-7;d-8;s9;s10d-11;s7;d +13;s14;s15;s16;s17;s18;s18;s19;s20;s21s22;s6s23;d15;s12;s10;s27;/rC:15.5304,-12.4373,0;15.5303,-13.2623,0;14.8158,-12.0248,0;14.8158,-13.6748,0;14.1014,-12.4373,0;14.1014,-13.2623,0;6.9566,-12.4373,0 ;6.9566,-13.2623,0;6.2421,-12.0248,0;6.2421,-13.6748,0;5.5277,-12.4373,0;5.5277,-13.2623,0;7.671', 'QJDRBHVMOOPIGE-CSKARUKUSA-N', '1010:WCR3TXJ2CNZKU2VP12MPZ7DC9M5C82', '[c]1:[c]:[c]:[c](-[#6]-[#7](-[#6]-[#6]-[#6]2-[#6]-[#8]-[#6](=[#8])\\-[#6]=[#6]\\-[c]3:[c]:[c]:[c](-[#8]):[c](-[#8]-[#6]):[c]3)-[#6]-[#6]2):[c]:[c]1', 'c1ccc(CN(CCC2COC(=O)\\C=C\\c3ccc(O)c(OC)c3)CC2)cc1', '04.167', '4.167', '0', '0', 'TRUE', '-6.23e-002\r\n-6.2e-002\r\n-6.2e-002\r\n-5.78e-002\r\n-5.78e-002\r\n-3.4e-002\r\n-2.27e-002\r\n-2.19e-002\r\n-5.22e-002\r\n0.105\r\n-2.88e-002\r\n0.1015\r\n-4.89e-002\r\n1.11e-002\r\n0.2853\r\n-0.3123\r\n5.95e-002\r\n-1.48e-002\r\n-3.53e-002\r\n-3.53e-002\r\n-1.2e-003\r\n-1.2e-003\r\n-0.2991\r\n2.33e', '0', '3.658', 'C23H27NO4', '0381.194', '-5.352', '0381.465', '7.78 9.88', '3', '1', '2', '16', '12', '2', '28', '30', '5', '8', '005', '01', '27', '0', '3', '008', '0059', '403.55', '', '', '', '', '', '', '', '', '', '', '', 'C/3=C/C=C(CN2CCC(COC(/C=C/C/1=C/C=C(O)\\C(OC)=C1)=O)CC2)\\C=C3', 'COc3cc(/C=C/C(=O)OCC2CCN(Cc1ccccc1)CC2)ccc3O', 'Compound 12a - 28282613', 'Not Available', 'Acetylcholinesterase', 'Not Available', 'Under Investigation', 'Alzheimer disease (AD)', '28282613', 'Alzheimer disease (AD)', 'PRESENILE AND SENILE DEMENTIA'),
(315, '315', 'Not Available', 'Oc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc5ccccc35)CC2)cc6OC(=CC(=O)c16)c7ccccc7', '5-hydroxy-2-phenyl-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one', 'CYAAFQwAnfwQkz2ruPStsSPiTjzs8lFflA4opHl4lnLKt^Q7F$WPMAIBhjZfQrKHL1zRaFPxWUAhC^zh$v5kjPLf3YZ1IwYLJ5vGmizaIRZkY8ShTz2t83TnSNp$R9rUL07adCkI3IlohGyoNJvNaN7AjhavZZdcWEJseQAdOrY0ccLgOkI5VUYIH$cXtkCYWvL5ayX9 02dnlorrnuLYP2rf3$7Bzw3sPp5vEKS38MM4NTwX5b2S94nZfW73wK6AD$K0ObF6fcQl11cKKQXAv8DNLxYCJ43CzBMX$s7v7ilIX^qk^5Tv$0VgSf^VZP1jwmblFquLuwRuEozCdfUTwP3hX414vw5yxu57ckPgH5OTy380cjZEvy87$Zu66flDTqLq3Y3$7e8F15sG 6e2LH0VW03awXW32Iz39tT$FP4TabzurW^KzvtR5dOV7$Q5haf^V9Y9r7$d27je^PC3$^3hBDEb8yDoHuGwW8JgkwtjJybRT', 'InChI=1S/C38H42N4O4/c43-33-24-28(25-36-37(33)34(44)26-35(46-36)27-10-2-1-3-11-27)45-23-9-18-42-21-19-41(20-22-42)17-8-16-39-38-29-12-4-6-14-31(29)40-32-15-7-5-13-30(32)38/h1-4,6,10-12,14,24-26,43H,5,7 -9,13,15-23H2,(H,39,40)', 'AuxInfo=1/1/N:44,42,43,5,12,6,14,17,26,40,41,3,11,4,13,16,18,25,21,24,19,22,27,31,30,38,39,29,1,8,2,10,33,37,36,32,34,7,15,9,23,20,46,45,28,35/E:(2,3)(10,11)(19,20)(21,22)/rA:46CCCCCCCCNCCCCCNCCCCNCCN CCCCOCCCCCCOCCCCCCCCCOO/rB:s1;d-1;d-2;s3;s4d-5;s1;d-7;s2;s8d-9;s8;s11;s10;s12s13;s7;s15;s16;s17;;s19;s19;s20;s18s21;s22s23;s20;s25;s26;s27;s28;s29;d+29;d-30;s31;s32d-33;s32;s35;s34;d-36s37;s36;s39;d+3 9;d-40;s41;s42d-43;d37;s33;/rC:4.2098,-10.9201,0;3.3848,-10.9201,0;4.6223,-11.6346,0;2.9723,-11.', 'VBAJECZQEAYMJO-UHFFFAOYSA-N', '1010:B5876BYFNGXCEHVCMJ1G81QWQBPABT', '[c]12:[c](:[n]:[c](-[#6]-[#6]-[#6]-[#6]3):[c]3:[c]1-[#7]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]4-[#6]-[#6]-[#6]-[#8]-[c]5:[c]:[c](-[#8]):[c](-[#6](=[#8])-[#6]=[#6](-[c]6:[c]:[c]:[c]:[c]:[c]6)-[#8]7):[c]7 :[c]5)-[#6]-[#6]4):[c]:[c]:[c]:[c]2', 'c12c(nc(CCCC3)c3c1NCCCN(CCN4CCCOc5cc(O)c(C(=O)C=C(c6ccccc6)O7)c7c5)CC4)cccc2', '06.262', '6.262', '0', '0', 'TRUE', '1.84e-002\r\n7.21e-002\r\n-5.13e-002\r\n-3.58e-002\r\n-6.15e-002\r\n-6.01e-002\r\n2.9e-002\r\n-7.9e-003\r\n-0.2525\r\n4.58e-002\r\n-2.45e-002\r\n-4.88e-002\r\n-1.01e-002\r\n-4.74e-002\r\n-0.2878\r\n1.1e-003\r\n-2.75e-002\r\n-6.e-004\r\n1.1e-002\r\n-0.3007\r\n1.1e-002\r\n1.1e-002\r\n-0.3008\r\n1.1e-002\r\n4.e-004\r\n-1.63e-002\r\n5.45e-002\r\n-0.3459\r\n8.01e-002\r\n1.e-004\r\n-8.e-004\r\n9.84e-002\r\n8.77e-002\r\n8.29e-002\r\n-0.3087\r\n9.31e-002\r\n0.1932\r\n1.77e-002\r\n5.4e-003\r\n-5.24e-002\r\n-5.24e-002\r\n-6.16e-002\r\n-6.16e-002\r\n-6.23e-002\r\n-0.289\r\n-0.36', '0', '6.232', 'C38H42N4O4', '0618.321', '-9.103', '0618.764', '2.69 6.28 7.16 10.09', '4', '2', '2', '27', '23', '4', '46', '52', '5', '13', '008', '02', '42', '0', '7', '011', '0087.16', '617.95', '', '', '', '', '', '', '', '', '', '', '', 'C/12=C/C=C\\C=C1\\N=C\\7/C(=C2/NCCCN6CCN(CCCO/C/3=C/C(O)=C/5\\C(=C3)O/C(/C/4=C/C=C\\C=C4)=C\\C5=O)CC6)CCCC7', 'O=c6cc(c1ccccc1)oc7cc(OCCCN5CCN(CCCNc3c2CCCCc2nc4ccccc34)CC5)cc(O)c67', 'Compound 13K-24095756', 'Not Available', 'Acetylcholinesterase', 'Not Available', 'Under Investigation', 'Alzheimer disease (AD)', '24095756', 'Alzheimer disease (AD)', 'PRESENILE AND SENILE DEMENTIA'),
(316, '66720098', '66720098', 'NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c2cccnc2n3ccc(n3)c4ccccc4', 'N-[(1S)-3-amino-1-benzyl-2,3-dioxo-propyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide', 'CYAAFQwA8ewQxruEKo$7IqLcL5n6ZKrAy^jWiLOtANJel5OGJxmu^vKd6EPXhstSyv$HdDn6QJePOLNVRXB6ca17MMwCXu8IE^S2ULKs^GXPrgWdWE$cfd8vb$zPePtS^zpG^zP8IuY9asn9h8MgMEewf9hkwCB$ocGmX2uIM0kN8cJ3361wjLeEm4AjueQ9REa4x7GN TdIEdF3ILlI8cZ4virr3eEM9d7r0RIe^ahX6cGSQgxmG6gzbxjx8FjWAPxOrNoPXTG4tpB1gQQnadEn2lZKVIgaV^MKgvkJcEjOgvsVo2z5HPjmfdyiEvsVwnJw2LNsTd2iKHe8Ebhqdb^iAeSSXLyDucsZeqUcxt5ZeWaAOaVTGqty5H1RhjgjiFreV8oXp84Y^CvaS V9Zk5Hczc45wdQFSl5xQhT9DSdWDFEQFThjnOcyxi$zkHARyiH^UlRM$0P0RJ0uPOUvSX5eyZI7DHKfVU3FWOufULT8Yu0sC', 'InChI=1S/C25H21N5O3/c26-23(32)22(31)21(16-17-8-3-1-4-9-17)28-25(33)19-12-7-14-27-24(19)30-15-13-20(29-30)18-10-5-2-6-11-18/h1-15,21H,16H2,(H2,26,32)(H,28,33)/t21-/m0/s1', 'AuxInfo=1/1/N:26,33,20,21,31,32,27,16,17,29,30,18,24,28,23,10,11,25,14,19,9,12,22,15,13,8,7,4,6,5,1,3,2/E:(3,4)(5,6)(8,9)(10,11)/it:im/rA:54OOONNNNNC.eCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB: ;;;;s5;;;s4;s9;s10;d1s9;d2s4;s13;s5s7d-14;d+11;s11;s14;d-6;s16;d-17;d3s8s12;s5;s19d-23;s19;d-20s21;d-18;d-7s27;d+25;s25;s29;d-30;d-31s32;s9;s10;s10;s4;s16;s17;s18;s23;s20;s21;s24;s26;s27;s28;s29;s30;s 8;s8;s31;s32;s33;/rC:.8304,-3.4069,.1444;-.1179,.9948,-2.3258;1.5992,-1.4809,2.3741;.8613,.1751,', 'YAJUREDVHDQEOI-NRFANRHFSA-N', '1010:HFP6D7A8FXCTCSDN26FJHKU6HC2HSX', '[#8]=[#6](-[#6](-[#7](-[#1])-[#1])=[#8])-[#6@](-[#1])(-[#6](-[#1])(-[#1])-[c]1:[c](-[#1]):[c](-[#1]):[c](-[#1]):[c](-[#1]):[c]1-[#1])-[#7](-[#1])-[#6](-[c](:[c](-[#1]):[c](-[#1]):[c](-[#1]):[n]2):[c]2 -[n]3:[c](-[#1]):[c](-[#1]):[c](-[c]4:[c](-[#1]):[c](-[#1]):[c](-[#1]):[c](-[#1]):[c]4-[#1]):[n]3)=[#8]', 'O=C(C(N([H])[H])=O)[C@]([H])(C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])N([H])C(c(c([H])c([H])c([H])n2)c2n3c([H])c([H])c(c4c([H])c([H])c([H])c([H])c4[H])n3)=O', '03.37', '3.37', '0', '0', 'TRUE', '-0.2868\r\n-0.2718\r\n-0.2687\r\n-0.3004\r\n-0.1261\r\n-0.1883\r\n-0.2418\r\n-0.3225\r\n9.5e-002\r\n-1.7e-003\r\n-4.57e-002\r\n0.2374\r\n0.2468\r\n7.62e-002\r\n0.1445\r\n-5.9e-002\r\n-5.9e-002\r\n-4.49e-002\r\n8.67e-002\r\n-6.2e-002\r\n-6.2e-002\r\n0.2784\r\n1.24e-002\r\n-2.13e-002\r\n1.4e-003\r\n-6.23e-', '1', '3.37', 'C25H21N5O3', '0439.164', '-7.219', '0439.466', '0.43 3.48', '5', '2', '3', '10', '23', '4', '33', '36', '28', '14', '008', '03', '21', '0', '4', '008', '0119.97', '437.9', '', '2.77153', '1.2752', '72.82', '49.45', '4.31895', '23.37', '1,351.48', '134.747', '333.05', '-178.85', 'O=C([C@@H](NC(=O)/C/3=C(N/2/N=C(/C/1=C/C=C\\C=C1)\\C=C2)/N=C\\C=C3)C/C/4=C/C=C\\C=C4)C(=O)N', 'NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c2cccnc2n4ccc(c3ccccc3)n4', 'Compound 19-28759231', 'A-933548', 'Calpain 3', '66720098', 'Under Investigation', 'Alzheimer disease (AD)', '28759231', 'Alzheimer disease (AD)', 'PRESENILE AND SENILE DEMENTIA');
INSERT INTO `alldrug` (`osr1`, `osr2`, `osr3`, `osr4`, `osr5`, `osr6`, `osr7`, `osr8`, `osr9`, `osr10`, `osr11`, `osr12`, `osr13`, `osr14`, `osr15`, `osr16`, `osr17`, `osr18`, `osr19`, `osr20`, `osr21`, `osr22`, `osr23`, `osr24`, `osr25`, `osr26`, `osr27`, `osr28`, `osr29`, `osr30`, `osr31`, `osr32`, `osr33`, `osr34`, `osr35`, `osr36`, `osr37`, `osr38`, `osr39`, `osr40`, `osr41`, `osr42`, `osr43`, `osr44`, `osr45`, `osr46`, `osr47`, `osr48`, `osr49`, `osr50`, `osr51`, `osr52`, `osr53`, `osr54`, `osr55`, `osr56`, `osr57`, `osr58`, `osr59`, `osr60`, `osr61`, `osr62`, `osr63`, `osr64`, `osr65`) VALUES
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(319, '319', 'Not Available', 'Oc1ccc(cc1)\\N=C\\2/Oc3ccccc3C=C2C(=O)Nc4cc(Br)ccc4N5CCN(CCC6C(=O)c7ccccc7C6=O)CC5', '(2Z)-N-[5-bromo-2-[4-[2-(1,3-dioxoindan-2-yl)ethyl]piperazin-1-yl]phenyl]-2-(4-hydroxyphenyl)imino-chromene-3-carboxamide', 'CYAAFQwAbfwQRgjc9zc^JoDkND2$xY1s4yf3nBu7uyVEYBCr7mvo0UyA8nvUQlMOyCUFqfdanVhRioisnDGausgwYvhTKCxTsZPvqQ6yFVXrFYvtRmYxND$MW75OiyrGX759OiwQAHCscA5pERp$z2R4A7rHXjXsCcVe66$2fqKHfYY69iVuftT9vGv$uPDecbX$eqF6 $1xxtG3VnLjDdr9VOyoOOhyvznYd3S3iXa0fz1UXWnbH5Pg660dDCI$v5PQ462dDOO6f329Kb1^2j3ozfQp1XWF0dDPO0VWfbq36qr5wP6T^6aN^vdX4v1tH1tRrLfPrVuNmvPv7D^ZSpzdZR7P35RfX0NA737cJni9yT63VcVRfNy8WU$Muuci^th034fnHGNer^fgn nV$uZd8$PUZcIfF33i68Lk87FTcniy^B0n2y9zUumrBO85ofogOX0b3p5XRuqlumETXqT3czP9DPAl^xiq1l48fW3vubTjwc', 'InChI=1S/C37H31BrN4O5/c38-24-9-14-32(42-19-17-41(18-20-42)16-15-29-34(44)27-6-2-3-7-28(27)35(29)45)31(22-24)40-36(46)30-21-23-5-1-4-8-33(23)47-37(30)39-25-10-12-26(43)13-11-25/h1-14,21-22,29,43H,15-20 H2,(H,40,46)/b39-37-', 'AuxInfo=1/1/N:10,45,47,12,8,44,46,11,24,29,30,31,32,22,36,35,1,5,2,6,13,21,7,23,28,33,40,41,37,14,19,20,9,38,39,17,16,25,27,18,3,4,34,42,43,26,15/E:(2,3)(6,7)(10,11)(12,13)(17,18)(19,20)(27,28)(34,35) (44,45)/rA:47CCNNCCCCCCCCCCOCCNCCCCCCBrONCCCCCCOCCCCCCCOOCCCC/rB:s1;s1;s2;s3;s4s5;;s7;d-7;d-8;s9;s10d-11;s7;d-13;s9;s14s15;s14;s17;s18;s4s19;d+19;d+20;s21;s22d-23;s23;d17;d+16;s27;s28;d+28;d-29;s30;s3 1d-32;s33;s3;s35;s36;s37;s37;s38;s39d-40;d38;d39;s40;d-44;s41;s45d-46;/rC:11.4292,-15.2055,0;10.', 'NYDOMQVMPCWJLU-XENYIEROSA-N', '1010:Y2G5UNXJP35UPAZKVFU42R6RE9V88V', '[#6]1-[#7](-[#6]-[#6]-[#6]2-[#6](=[#8])-[c](:[c]:[c]:[c]:[c]3):[c]3-[#6]2=[#8])-[#6]-[#6]-[#7](-[c]4:[c]:[c]:[c](-[#35]):[c]:[c]4-[#7]-[#6](=[#8])-[#6](\\-[#6](=[#7]\\-[c]5:[c]:[c]:[c](-[#8]):[c]:[c]5)\\ -[#8]-[c](:[c]67):[c]:[c]:[c]:[c]6)=[#6]7)-[#6]1', 'C1N(CCC2C(=O)c(cccc3)c3C2=O)CCN(c4ccc(Br)cc4NC(=O)C(\\C(=N\\c5ccc(O)cc5)\\Oc(c67)cccc6)=C7)C1', '06.483', '6.483', '0', '0', 'TRUE', '1.13e-002\r\n1.59e-002\r\n-0.3008\r\n-0.2709\r\n1.13e-002\r\n1.59e-002\r\n6.2e-003\r\n-5.24e-002\r\n9.12e-002\r\n-6.15e-002\r\n-3.06e-002\r\n-5.96e-002\r\n-3.54e-002\r\n8.81e-002\r\n-0.2903\r\n0.185\r\n0.2515\r\n-0.2798\r\n5.22e-002\r\n3.91e-002\r\n-2.49e-002\r\n-4.1e-002\r\n1.94e-002\r\n-4.63e-002\r\n-5.08e-002\r\n-0.2714\r\n-0.2238\r\n6.61e-002\r\n-3.38e-002\r\n-3.38e-002\r\n-3.e-002\r\n-3.e-002\r\n7.14e-002\r\n-0.361\r\n-7.e-004\r\n-2.29e-002\r\n8.69e-002\r\n0.1739\r\n0.1739\r\n2.91e-002\r\n2.91e-002\r\n-0.2934\r\n-0.2934\r\n-5.07e-002\r\n-6.15e-002\r\n-5.07e-002\r\n-6.15e-002', '0', '6.169', 'C37H31BrN4O5', '0690.148', '-8.946', '0691.57', '-2.65 6.56 7.37 7.56 7.67 10.22', '5', '2', '5', '24', '24', '4', '47', '53', '9', '17', '009', '02', '31', '0', '7', '007', '0111.54', '612.77', '', '', '', '', '', '', '', '', '', '', '', 'C5CN(/C1=C/C=C(Br)\\C=C1\\NC(/C/3=C/C/2=C(/C=C\\C=C2)\\OC3=N/C/4=C/C=C(O)\\C=C4)=O)CCN5CCC6C(=O)/C/7=C(C6=O)/C=C\\C=C7', 'O=C(Nc1cc(Br)ccc1N4CCN(CCC3C(=O)c2ccccc2C3=O)CC4)c6cc5ccccc5oc6=Nc7ccc(O)cc7', 'Compound 9e-23480856', 'Not Available', 'BACE1 (beta-secretase)', 'Not Available', 'Under Investigation', 'Alzheimer disease (AD)', '23480856', 'Alzheimer disease (AD)', 'PRESENILE AND SENILE DEMENTIA'),
(320, '7687685', '7687685', 'Fc1ccc(OCC(=O)Nc2cccc(c2)N3CCCCC3=O)cc1', '2-(4-fluorophenoxy)-N-[3-(2-oxo-1-piperidyl)phenyl]acetamide', 'CYAAFQwAQcwQ7ii5f3XsKhWf$ZsFYNj1SE201k8qlb4l74oa7OZF^BY6ftsjH12VwZBHXkv2UDZ2edyjtz8nVVAak8hPXgCY7C0Kw^Fk4LaIgMUi370XRaCTSYJJ7^LLmWbqAkwfV2gn6VKTuE2WWUDzGh8LfNdFu9RqndBvmL^waZcUKMftf1EUK41FZUmXtW4u9sQv 5ldBgWFmo0b62N7EvjpHkdJv9x6BpS9l4O4Kr$SpESmHXURGO6vpjjWlDxTv7$eU63gU4Ely5hVfpGglq2LDA5OPn3J1KnVGg8ByqgPzNzT7SMv3SMZ$$1e28wRviYQyY$cXm81hH3p8tmdWto27IN$IXQsc6Uf2LL^o9I0h0xa9VycFrwdbzjrT67MMAsK042nNqe^n VafG474GORFVQbQPwnaE5BCq8$KKLYAyC4HlX3K9Huh6k51dV40tqrD5259Gyl0vD$WubW6d11hHV71Cw1qXyDjL7awZ5S63', 'InChI=1S/C19H19FN2O3/c20-14-7-9-17(10-8-14)25-13-18(23)21-15-4-3-5-16(12-15)22-11-2-1-6-19(22)24/h3-5,7-10,12H,1-2,6,11,13H2,(H,21,23)', 'AuxInfo=1/1/N:9,7,16,17,14,10,23,24,21,22,8,13,19,25,15,12,20,18,11,1,6,5,4,2,3/E:(7,8)(9,10)/rA:44FOOONNCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5s7;s7;s9;d2s5s10;s5;s12;d+12;s6d+13;s14;s15d- 16;d4s6;s3s18;s3;d+20;s20;s21;d-22;s1d+23s24;s7;s7;s8;s8;s9;s9;s10;s10;s13;s14;s16;s17;s6;s19;s19;s21;s22;s23;s24;/rC:8.2897,1.8339,-.6291;-3.6187,2.1995,-.8029;3.6934,-.8836,.6504;1.5407,-2.2335,.067 4;-4.7019,.2572,-.0476;.1095,-.3832,.3522;-7.0857,.496,.7143;-6.0128,-.3953,.1115;-7.1348,1.801,', 'AKNVSHJDMGMSOK-UHFFFAOYSA-N', '1010:YJBKPDCNR8JWKS4B4P3A8WBXJARMV4', '[#9]-[c](:[c](-[#1]):[c](-[#1]):[c]1-[#8]-[#6](-[#1])(-[#1])-[#6](-[#7](-[#1])-[c](:[c](-[#1]):[c](-[#1]):[c](-[#1]):[c]2-[#7]3-[#6](-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]3(-[# 1])-[#1])=[#8]):[c]2-[#1])=[#8]):[c](-[#1]):[c]1-[#1]', 'Fc(c([H])c([H])c1OC([H])([H])C(N([H])c(c([H])c([H])c([H])c2N3C(C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=O)c2[H])=O)c([H])c1[H]', '02.693', '2.693', '0', '0', 'TRUE', '-0.207\r\n-0.2772\r\n-0.3365\r\n-0.2747\r\n-0.2716\r\n-0.2834\r\n-3.65e-002\r\n1.92e-002\r\n-4.32e-002\r\n2.49e-002\r\n0.2185\r\n3.72e-002\r\n-1.91e-002\r\n-4.04e-002\r\n3.43e-002\r\n-5.86e-002\r\n-4.06e-002\r\n0.2424\r\n0.1301\r\n7.58e-002\r\n-2.89e-002\r\n-2.89e-002\r\n-2.38e-002\r\n-2.38e-002\r\n0.1', '0', '2.691', 'C19H19FN2O3', '0342.138', '-4.214', '0342.364', '0.68 5.61', '3', '1', '2', '13', '12', '2', '25', '27', '24', '8', '005', '01', '19', '0', '3', '005', '0058.64', '340.54', '', '4.95748', '1.2754', '27.52', '-0.21', '5.3709', '27.73', '2,031.81', '90.64', '261.7', '-166.93 -180', 'F/C/3=C/C=C(OCC(=O)N/C/2=C/C(N1CCCCC1=O)=C\\C=C2)\\C=C3', 'O=C(COc1ccc(F)cc1)Nc3cccc(N2CCCCC2=O)c3', 'Compound ID 7687685', '1. 2-(4-fluorophenoxy)-N-(3-(2-oxopiperidin-1-yl)phenyl)acetamide, AC1OQM9V', 'Superoxide Dismutase 1', '7687685', 'Under Investigation', 'Amyotrophic Lateral Sclerosis (ALS)', '22652679', 'Amyotrophic Lateral Sclerosis (ALS)', 'AMYOTROPHIC LATERAL SCLEROSIS 1, FAMILIAL; FALS\nAMYOTROPHIC LATERAL SCLEROSIS 1, AUTOSOMAL DOMINANT'),
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