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CompoundMeSH IDNameTree numberUMLS IDScoreRank

[1] Untitled

Original SMILES:
CC(C)(C)c1cc(-c2nc3ccccc3[nH]2)[nH]n1

Prepared SMILES:
CC(c1n[nH]c(c1)c1nc2c([nH]1)cccc2)(C)C

D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.06705011
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.0667162
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.05131713
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.04829694
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.04683655
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.04681516
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.04508287
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.04423078
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.04301439
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.039943310
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.039191111
D005221FATIGUE; FatigueC23.888.369C00156720.037836112
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.037391413
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.036273814
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.034156915
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.031953116
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.031045517
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.030271418
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.029968319
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.029104920
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.028433221
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.028418622
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.027862723
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.027458124
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.027442625
D007239Clinical Infection; Communicable disease; Communicable disease, NOS; Communicable diseases; Contagious ...C01.539C00094500.027203526
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.026309827
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.026128
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.026067729
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.025952930
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.025728131
D008113HEPATIC NEOPLASIA; HEPATIC NEOPLASM; Hepatic neoplasia; Hepatic neoplasm; Hepatic tumor; ...C04.588.274.623; C06.301.623; C06.552.697C00239030.025641132
D014786Disorder of Visual System; Disorder of vision; Disorder of vision, ...C10.597.751.941; C11.966; C23.888.592.763.941C00427900.025424133
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.025052434
D004415DYSPEPSIA; Dyspepsia; Dyspepsia, NOS; Dyspepsia/indigestion; INDIGESTION; IndigestionC23.888.821.236C00133950.024994635
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.024176736
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.024050437
D000855ANOREXIA; Anorexia; anorectic; anorexiaC23.888.821.108C00031230.023961438
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.023767239
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.023563940
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.023438541
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.023131942
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.022914543
D008106liver cirrhosis, experimentalC06.552.630.467; E05.598.500.468C00238930.022902244
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.02286145
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.022854546
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.022741447
D012131Insufficiency, Pulmonary; PR - Pulmonary regurgitation; PULMONARY INSUFFICIENCY; PULMONARY REGURGITATION; ...C08.618.846; C14.280.484.660C00340880.02270948
D005355Desmoplasia; FIBROSIS; Fibroplasia; Fibroplasia, NOS; Fibrosis; Fibrosis, NOS; Fibrous repair; ...C23.550.355C00160590.022543249
D008133LONG QT SYNDROME; Long Q-T syndrome; Long QT Syndrome; Long ...C14.280.067.565; C14.280.123.625; C16.131.240.400.715; C23.550.073.547C00239760.02227850

[2] Untitled

Original SMILES:
CCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1

Prepared SMILES:
CCN(c1ccc(cc1)/C=C/c1cc([s+]c(c1)c1ccccc1)c1ccccc1)CC

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.05008551
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.0488292
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.04569133
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.04408674
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.04108935
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.04074596
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.03961597
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.0368728
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.03636259
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.034979410
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.0343411
D004487Dropsy; Dropsy, NOS; EDEMA; EDEMA NOS; EDEMATOUS; EdemaC23.888.277C00136040.034181712
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.031048713
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.030875814
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.030546815
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.029923616
D005221FATIGUE; FatigueC23.888.369C00156720.029465817
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.028769918
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.028623619
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.028465620
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.026902221
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.026809722
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.026437923
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.02640624
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.026262625
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.025851826
D018908PARALYSIS PARTIAL; PARESIS; Paresis; Paresis, NOS; muscle weakness; paralysis partial; ...C05.651.515; C10.597.613.593; C23.550.695; C23.888.592.608.593; C10.597.636; C23.888.592.643C00305520.024853627
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.024724928
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.023993829
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.023387230
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.022619931
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.022414632
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.021765333
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.021544234
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.021468935
D007674Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...C12.777.419; C13.351.968.419C00226580.021196736
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.020856737
D001943BREAST CANCER; BREAST CANCER NOS; Breast Cancer; Breast cancer; Breast--Cancer; ...C04.588.180; C17.800.090.500C00061420.0207538
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.020704839
D002375Catalepsy; catalepsyC10.597.350.200; C23.888.592.350.200C00073700.020459140
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.020164341
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.019948842
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.019885643
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.019880244
D018476ACTIVITY DECREASED; Behavior showing reduced motor activity; Behaviour showing reduced ...C10.597.350.400; C23.888.592.350.400C00864390.019857645
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.019704446
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.019351347
D001416BACK PAIN; BACKACHE; BACKPAIN; Back Pain; Back ache; Back pain; ...C23.888.592.612.107C00046040.018927248
D003863DEPRESSION; Depression; Depression (Emotion); Depression, Mental; Depression, NOS; Depression, mental; ...F01.145.126.350C00115700.018778149
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.018301250

[3] Untitled

Original SMILES:
O=C(CCl)/N=c1\sc2ccccc2n1-c1ccccc1

Prepared SMILES:
ClCC(=O)/N=c/1\sc2c(n1c1ccccc1)cccc2

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.06913731
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.06688532
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.05683383
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.05317344
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.05151595
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.05016336
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.04795667
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.04579668
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.044199
D005221FATIGUE; FatigueC23.888.369C00156720.04415310
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.042296311
D006965Cellular proliferation; HYPERPLASIA; Hypercellular; Hypercellularity; Hyperplasia; Hyperplasia, NOS; Hyperplastic; Proliferation, ...C23.550.444C00205070.041258812
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.03962213
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.038543514
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.038469715
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.036717616
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.036357717
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.036147818
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.033935619
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.033897920
D008113HEPATIC NEOPLASIA; HEPATIC NEOPLASM; Hepatic neoplasia; Hepatic neoplasm; Hepatic tumor; ...C04.588.274.623; C06.301.623; C06.552.697C00239030.032926321
D018771ARTHRALGIA; ARTHRALGIAS; Ache in joint; Arthralgia; Arthralgias; Arthrodynia; Articular pain; ...C05.550.091; C23.888.592.612.094; F02.830.816.444.350; G11.561.790.444.350C00038620.032242122
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.031667423
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.03147124
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.031441925
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.030385526
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.030383727
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.02991228
D004415DYSPEPSIA; Dyspepsia; Dyspepsia, NOS; Dyspepsia/indigestion; INDIGESTION; IndigestionC23.888.821.236C00133950.029656929
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.028930130
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.028015731
D000855ANOREXIA; Anorexia; anorectic; anorexiaC23.888.821.108C00031230.027824332
D004408Adverse taste perception; DYSGEUSIA; Disordered taste; Distorted taste; Disturbance;taste; Dysgeusia; ...C10.597.751.861.479; C23.888.592.763.861.479C00133780.02723633
D014717Dizzy spell; Feel I'm spinning round; Head spinning; Rotary vertigo; ...C09.218.568.900.883; C10.597.951; C23.888.592.958C00425710.026906334
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.02686335
D053609LETHARGY; Lethargic; Lethargy; Listless; Stuporous; Torpid; demonstrated behavior lethargy; demonstrates ...C10.597.606.441; C23.888.592.604.444; F01.700.470C00233800.026567736
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.026175437
D007970Decreased blood leukocyte number; LEUCOPENIA; LEUKOPENIA; Leucopenia, NOS; Leukocytopenia; Leukocytopenia, ...C15.378.553.546; C15.378.553.546.184.564C00235300.025743138
D014012EAR RINGING SOUND; Ears, Ringing In; Noise in ears; Noises ...C09.218.458.670; C10.597.751.418.670; C23.888.592.763.393.670C00402640.025699839
D006505HEPATITIS; HEPATITIS NONSPECIFIC; Hepatitis; Hepatitis, NOS; Hepatitis, unspecified; Inflammatory disease ...C06.552.380C00191580.025560440
D020521APOPLEXY, CEREBRAL; Apoplexy; Apoplexy, NOS; Brain attack; CEREBRAL VASCULAR ACCIDENT; ...C10.228.140.300.775; C14.907.253.855C00384540.025332941
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.025193142
D003128COMA; Coma; Coma, NOS; Coma, unspecifiedC10.597.606.358.800.200; C23.888.592.604.359.800.200C00094210.024755143
D013262EPIDERMOLYSIS, ACUTE TOXIC; LYELL SYNDROME; Lyell; Lyell Syndrome; Lyell syndrome; ...C07.465.864.500; C17.800.174.600.900; C17.800.229.400.683; C17.800.865.475.683; C20.543.206.380.900; C25.100.468.380.900C00145180.024611344
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.0243145
D007565Icteric; Icterus; Icterus, NOS; JAUNDICE; JaundiceC23.550.429.500; C23.888.885.375C00223460.024258246
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.02420747
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.023703548
D009503Decreased blood leukocyte number; LEUCOPENIA; LEUKOPENIA; Leucopenia, NOS; Leukocytopenia; Leukocytopenia, ...C15.378.553.546; C15.378.553.546.184.564C00235300.023650949
D007674Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...C12.777.419; C13.351.968.419C00226580.023077250

[4] Untitled

Original SMILES:
CC1(C)N=C(S)N2N1C(S)=NC2(C)C

Prepared SMILES:
SC1=NC(N2N1C(C)(C)N=C2S)(C)C

D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.03011221
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.02748792
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.02262753
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.02160894
D013492Mucopurulent inflammation; Mucopurulent inflammation, NOS; Purulent inflammation; Purulent inflammation, NOS; ...C01.539.830; C23.550.470.756C00388620.02052435
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.01984246
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.01884297
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.01875388
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.01835529
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.018086810
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.017164311
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.016820112
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.016337713
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.015429614
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.01538315
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.014549116
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.013598517
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.012757818
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.012723419
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.012670520
D005221FATIGUE; FatigueC23.888.369C00156720.012650221
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.012077422
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.011795323
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.011433224
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.011348625
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.011313326
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.011138827
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.01100328
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.010711529
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.010568630
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.01037531
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.010260632
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.010144633
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.0099512134
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.0098771535
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.0097688736
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.0096396337
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.0091160738
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.0090564339
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.0090206940
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.0089724641
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.0088631142
D013575A faint; Attack(s);fainting; Blackout; FAINTING; FAINTING EPISODES; FAINTNESS; Faint; Fainted; ...C10.597.606.358.800.600; C23.888.592.604.359.800.600C00390700.0087979343
D009369CA; CA - Cancer; CANCER; Cancer; MALIGNANCY; MALIGNANT TUMOR; MalignancyC04C00068260.0085371644
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.0082757645
D000855ANOREXIA; Anorexia; anorectic; anorexiaC23.888.821.108C00031230.0082616546
D006212HALLUCINATION; HALLUCINATIONS; Hallucination; Hallucination, NOS; Hallucinations; Hallucinations, unspecified; hallucinate; hallucinated; ...C10.597.606.762.300; C23.888.592.604.764.300; F01.700.750.300C00185240.0081758247
D013035CRAMP; Cramp; Cramp in muscle; Cramp in muscle, NOS; Cramp(s); ...C05.651.475; C10.597.613.500; C23.888.592.608.500; C10.597.613.750; C23.888.592.608.750C00268210.0080996548
D006930HYPERALGESIA; HYPERALGIA; Hyperalgesia; Hyperalgia; Hyperpathia; Increased sensitivity to painful stimulus; ...C10.597.751.791.400; C23.888.592.763.770.400C00204290.0079610549
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.0079099650

[5] Untitled

Original SMILES:
C=CCN1C=CC=C/C1=C\c1ccc2ccc(C)cc2[n+]1CC

Prepared SMILES:
C=CCn1cccc/c/1=C\c1ccc2c([n+]1CC)cc(cc2)C

D008064LIPIDOSIS; Lipid storage disease; Lipid storage disease, NOS; Lipid storage ...C16.320.565.398.641; C18.452.584.687; C18.452.648.398.641C00237940.075911
D016464Disorder of Lysosomal Enzymes; Disorder of lysosomal enzyme; Disorder of ...C16.320.565.595; C18.452.648.595C00850780.07491492
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.07184363
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.05967864
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.05735545
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.05468146
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.05240587
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.05191728
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.05179519
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.05003410
D008545MALIGNANT MELANOMA; MELANOMA; MELANOMA MALIGNANT; MELANOMA, MALIGNANT; MM - Malignant ...C04.557.465.625.650.510; C04.557.580.625.650.510; C04.557.665.510C00252020.049644311
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.048642412
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.047594413
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.047122714
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.045330515
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.044552216
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.042881617
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.041749618
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.039666719
D001768BLISTER; BULLA; Bleb; Blister; Blister, NOS; Blistering; Blistering eruption; Blisters; ...C17.800.865.187; C23.300.122C00057580.038854620
D007674Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...C12.777.419; C13.351.968.419C00226580.037721721
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.037519422
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.033914123
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.033788124
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.030291125
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.030048226
D003711Demyelinating Disease; Demyelinating Disorder; Demyelinating nervous system disease or syndrome; ...C10.314C00113030.028959427
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.028915628
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.028576629
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.028197730
D005221FATIGUE; FatigueC23.888.369C00156720.028105131
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.028053232
D019970Cocaine induced mental disorder; Cocaine-induced organic mental disorder; Cocaine-induced organic ...C25.775.300; F03.900.300C02367360.027963433
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.027678234
D020257Ventricular remodeling; Ventricular remodelling; ventricular remodelingC23.300.985; G09.330.955.975C06005190.027643335
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.026997336
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.026496937
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.025790838
D063806Aching muscles; MUSCLE PAIN; MUSCLE PAIN GENERALIZED; MUSCULAR PAIN; MYALGIA; ...C05.651.542; C10.668.491.525; C23.888.592.612.547.249; F02.830.816.353.500; G11.561.790.353.500C02315280.025051139
D009369CA; CA - Cancer; CANCER; Cancer; MALIGNANCY; MALIGNANT TUMOR; MalignancyC04C00068260.024506340
D015431Decreased body weight; Decreased weight; Decreased;weight; Losing weight; Loss (of);weight; ...C23.888.144.243.963; G07.345.249.314.120.200.963C12624770.024059441
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.023957742
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.023924943
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.023269444
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.023230545
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.022360946
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.022118347
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.022017148
D014786Disorder of Visual System; Disorder of vision; Disorder of vision, ...C10.597.751.941; C11.966; C23.888.592.763.941C00427900.021958449
D018908PARALYSIS PARTIAL; PARESIS; Paresis; Paresis, NOS; muscle weakness; paralysis partial; ...C05.651.515; C10.597.613.593; C23.550.695; C23.888.592.608.593; C10.597.636; C23.888.592.643C00305520.021756550

[6] Untitled

Original SMILES:
CCC(C)N1C(=O)/C(=C\c2[nH]cnc2C)N(C)C1=S

Prepared SMILES:
CCC(N1C(=O)/C(=C\c2[nH]cnc2C)/N(C1=S)C)C

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.09704251
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.06837462
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.05809913
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.05409434
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.05045615
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.04993656
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.04928927
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.04778848
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.04729749
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.044066710
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.038890311
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.036993312
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.036853613
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.036123314
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.035295415
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.035084216
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.035057417
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.035042718
D005221FATIGUE; FatigueC23.888.369C00156720.034857719
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.034104520
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.033640521
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.032452422
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.032300623
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.031929624
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.030532825
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.029463726
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.028361327
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.02807928
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.027174329
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.026976130
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.026716231
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.02625432
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.026155833
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.02598234
D013575A faint; Attack(s);fainting; Blackout; FAINTING; FAINTING EPISODES; FAINTNESS; Faint; Fainted; ...C10.597.606.358.800.600; C23.888.592.604.359.800.600C00390700.025972335
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.025682836
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.025647937
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.025465838
D003248CN - Constipation; CONSTIPATION; Constipated; ConstipationC23.888.821.150C00098060.025463639
D013035CRAMP; Cramp; Cramp in muscle; Cramp in muscle, NOS; Cramp(s); ...C05.651.475; C10.597.613.500; C23.888.592.608.500; C10.597.613.750; C23.888.592.608.750C00268210.025235840
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.024208841
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.024049742
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.024018843
D000855ANOREXIA; Anorexia; anorectic; anorexiaC23.888.821.108C00031230.023519644
D006930HYPERALGESIA; HYPERALGIA; Hyperalgesia; Hyperalgia; Hyperpathia; Increased sensitivity to painful stimulus; ...C10.597.751.791.400; C23.888.592.763.770.400C00204290.023058945
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.022940946
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.021879347
D014786Disorder of Visual System; Disorder of vision; Disorder of vision, ...C10.597.751.941; C11.966; C23.888.592.763.941C00427900.02154748
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.02129249
D006323ASYSTOLE; Arrest, Cardiac; Asystole; CA - Cardiac arrest; CARDIAC ARREST; ...C14.280.383C00187900.021065650

[7] Untitled

Original SMILES:
[O-][n+]1onc2c3no[n+]([O-])c3c3c(no[n+]3[O-])c21

Prepared SMILES:
O=n1onc2c1c1non(=O)c1c1c2non1=O

D000307ADRENAL DISEASE, NOS; ADRENAL DISORDER; Adrenal Disease; Adrenal Gland Disease; ...C19.053C00016210.03348781
D019457Chromosome Breakage; Chromosome breakage; High frequency of chromosome breaks in ...C23.550.210.170; G05.200.210.170; G05.365.590.175.175C03766280.02788162
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.02735993
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.02168284
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.02148365
D015431Decreased body weight; Decreased weight; Decreased;weight; Losing weight; Loss (of);weight; ...C23.888.144.243.963; G07.345.249.314.120.200.963C12624770.02040436
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.01928527
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.01854738
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.01846669
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.018336310
D009374Experimental TumorC04.619; E05.598.500.496C00276590.017844811
D002869Aberrant Chromosome; CHROMOSOME ABNORMALITY; Chromosomal Aberration; Chromosomal Abnormalities; Chromosomal Abnormality; ...C23.550.210; G05.365.590.175C00086250.017637212
D012878CA - Skin cancer; Cancer of skin; Malignant Neoplasm of ...C04.588.805; C17.800.882C00071140.01760513
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.017597314
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.01709515
D048629micronuclei, chromosome-defectiveA11.284.430.106.570; A11.284.430.214.190.875.117.570; C23.550.210.570; G05.365.590.175.570C14498610.016736716
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.016644417
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.016600318
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.016350719
D008175LUNG TUMOR; Lung Neoplasm; Lung Neoplasms; Lung Tumor; Lung neoplasm; ...C04.588.894.797.520; C08.381.540; C08.785.520C00241210.016336820
D002471Oncogenesis; Tumorigenesis; neoplastic transformation; neoplastic transformations; tumorigenesisC04.697.098.500; C23.550.727.098.500C00076210.015234221
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.014959222
D006965Cellular proliferation; HYPERPLASIA; Hypercellular; Hypercellularity; Hyperplasia; Hyperplasia, NOS; Hyperplastic; Proliferation, ...C23.550.444C00205070.014898823
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.014808224
D002294CARCINOMA SQUAMOUS; CARCINOMA, SQUAMOUS CELL, MALIGNANT; Epidermoid Carcinoma; Epidermoid Cell ...C04.557.470.200.400; C04.557.470.700.400C00071370.014442425
D002277CARCINOMA; CARCINOMA, MALIGNANT; Carcinoma; Carcinoma NOS; Carcinoma, NOS; Carcinoma, no ...C04.557.470.200C00070970.01410426
D010212PAPILLOMA; PAPILLOMA, BENIGN; Papilloma; Papilloma, NOS; non cancerous skin tumor; ...C04.557.470.700.600C00303540.013996427
D004938Esophageal Neoplasm; Esophageal Neoplasms, Benign and Malignant; Esophageal Tumor; Esophageal ...C04.588.274.476.205; C04.588.443.353; C06.301.371.205; C06.405.117.430; C06.405.249.205C00148590.013823728
D063806Aching muscles; MUSCLE PAIN; MUSCLE PAIN GENERALIZED; MUSCULAR PAIN; MYALGIA; ...C05.651.542; C10.668.491.525; C23.888.592.612.547.249; F02.830.816.353.500; G11.561.790.353.500C02315280.013800229
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.013768930
D009062Lesion of mouth; Lip and Oral Cavity Neoplasm; Lip and ...C04.588.443.591; C07.465.530C00266400.013494731
D018771ARTHRALGIA; ARTHRALGIAS; Ache in joint; Arthralgia; Arthralgias; Arthrodynia; Articular pain; ...C05.550.091; C23.888.592.612.094; F02.830.816.444.350; G11.561.790.444.350C00038620.013493732
D014062Neoplasm of Tongue; Neoplasm of the Tongue; Neoplasm of the ...C04.588.443.591.925; C07.465.530.925; C07.465.910.470C00404110.013443933
D005483FLUSHES; FLUSHING; Face goes red; Flush; Flushed; Flushes; FlushingC23.888.885.344C00163820.013370934
D004415DYSPEPSIA; Dyspepsia; Dyspepsia, NOS; Dyspepsia/indigestion; INDIGESTION; IndigestionC23.888.821.236C00133950.013202735
D000077277ESOPHAGEAL CANCER SQUAMOUS CELL; Esophageal Epidermoid Carcinoma; Esophageal SCC; Esophageal ...C04.557.470.200.400.330; C04.557.470.700.400.565; C04.588.274.476.205.500; C04.588.443.353.500; C06.301.371.205.500; C06.405.117.430.500; C06.405.249.205.500C02796260.013187636
D000799ANGIOEDEMA; ANGIONEUROTIC EDEMA; Angio-edema; Angio-edema-urticaria; Angio-oedema; Angio-oedema-urticaria; Angioedema; Angioedema, NOS; ...C14.907.079; C17.800.862.945.066; C20.543.480.904.066C00029940.013179637
D000138ACIDOSIS; Acidosis; Acidosis, NOS; acidoses; acidosisC18.452.076.176C00011220.012953838
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.012828139
D012131Insufficiency, Pulmonary; PR - Pulmonary regurgitation; PULMONARY INSUFFICIENCY; PULMONARY REGURGITATION; ...C08.618.846; C14.280.484.660C00340880.012258340
D007333Body fails to respond to insulin; Drug resistance to insulin; ...C18.452.394.968.500; G07.690.773.984.617C00216550.011588941
D003244disorders of consciousnessC10.597.606.358; C23.888.592.604.359; F01.700.315; F03.615.300C00097920.01132142
D001986BRONCHOSPASM; Bronchial spasm; Bronchospasm; bronchial spasm; bronchial spasms; bronchospasmC08.127.321C00062660.011104343
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.011038144
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.010927645
D002779BILE DUCT OBSTRUCTION; Bile duct obstruction; Bile duct occlusion; Bile ...C06.130.120.135C00083700.010726346
D010996Effusion, Pleural; Effusion;pleural; Fluid around lungs; PLEURAL EFFUSION; Pleural Effusion; ...C08.528.652C00322270.010696947
D001161ARTERIOSCLEROSIS; ARTERIOSCLEROTIC VASCULAR DISEASE; Arterial Sclerosis; Arteriosclerosis; Arteriosclerosis, NOS; Arteriosclerotic ...C14.907.137.126; C14.907.137.126.307C00038500.0103248
D000860Anoxia; Oxygen supply absent; Oxygen, absence; absence oxygen; anoxiaC23.888.852.079C00031300.010296449
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.010293950

[8] Untitled

Original SMILES:
COc1ccc(/N=C/c2ccc(Sc3cccc4ncccc34)c([N+](=O)[O-])c2)c(OC)c1

Prepared SMILES:
COc1cc(OC)ccc1/N=C/c1ccc(c(c1)N(=O)=O)Sc1cccc2c1cccn2

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.1044651
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.09415082
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.073753
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.07144644
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.07050495
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.06824176
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.06491557
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.06486558
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.06406829
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.059206210
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.057355311
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.056152712
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.055763413
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.054455614
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.053126515
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.052440716
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.052360117
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.048819418
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.048236819
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.047967320
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.046814721
D005221FATIGUE; FatigueC23.888.369C00156720.046771922
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.046171623
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.045666124
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.045530325
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.045380326
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.044939827
D001943BREAST CANCER; BREAST CANCER NOS; Breast Cancer; Breast cancer; Breast--Cancer; ...C04.588.180; C17.800.090.500C00061420.043630728
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.042800529
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.041529530
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.040651331
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.03885832
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.038605533
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.038590534
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.038486335
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.037528736
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.036988337
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.036872738
D009369CA; CA - Cancer; CANCER; Cancer; MALIGNANCY; MALIGNANT TUMOR; MalignancyC04C00068260.036510239
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.036344240
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.036277741
D008175LUNG TUMOR; Lung Neoplasm; Lung Neoplasms; Lung Tumor; Lung neoplasm; ...C04.588.894.797.520; C08.381.540; C08.785.520C00241210.036162342
D012131Insufficiency, Pulmonary; PR - Pulmonary regurgitation; PULMONARY INSUFFICIENCY; PULMONARY REGURGITATION; ...C08.618.846; C14.280.484.660C00340880.035558143
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.035479444
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.03489545
D015431Decreased body weight; Decreased weight; Decreased;weight; Losing weight; Loss (of);weight; ...C23.888.144.243.963; G07.345.249.314.120.200.963C12624770.034643746
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.034566447
D004487Dropsy; Dropsy, NOS; EDEMA; EDEMA NOS; EDEMATOUS; EdemaC23.888.277C00136040.034511348
D008113HEPATIC NEOPLASIA; HEPATIC NEOPLASM; Hepatic neoplasia; Hepatic neoplasm; Hepatic tumor; ...C04.588.274.623; C06.301.623; C06.552.697C00239030.034372649
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.034196250

[9] Untitled

Original SMILES:
Oc1ccccc1-c1nc(/C=C/c2cccnc2)n[nH]1

Prepared SMILES:
Oc1ccccc1c1[nH]nc(n1)/C=C/c1cccnc1

D007674Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...C12.777.419; C13.351.968.419C00226580.09209311
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.06975162
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.06503483
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.05824934
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.05346255
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.05036316
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.04906727
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.0489818
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.04856589
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.046574310
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.045856811
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.045686712
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.043962713
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.042681614
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.040708415
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.039585716
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.038976917
D005221FATIGUE; FatigueC23.888.369C00156720.038337718
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.037528119
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.033279120
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.032952621
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.032531622
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.032494423
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.032473224
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.030155825
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.029959626
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.02924627
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.029212828
D002375Catalepsy; catalepsyC10.597.350.200; C23.888.592.350.200C00073700.028928429
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.028641730
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.027432231
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.0269932
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.026704433
D004487Dropsy; Dropsy, NOS; EDEMA; EDEMA NOS; EDEMATOUS; EdemaC23.888.277C00136040.026261234
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.026229235
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.025047136
D005483FLUSHES; FLUSHING; Face goes red; Flush; Flushed; Flushes; FlushingC23.888.885.344C00163820.024963137
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.024830938
D001416BACK PAIN; BACKACHE; BACKPAIN; Back Pain; Back ache; Back pain; ...C23.888.592.612.107C00046040.024766139
D006930HYPERALGESIA; HYPERALGIA; Hyperalgesia; Hyperalgia; Hyperpathia; Increased sensitivity to painful stimulus; ...C10.597.751.791.400; C23.888.592.763.770.400C00204290.02444640
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.024392641
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.024066442
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.023921743
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.023767544
D001943BREAST CANCER; BREAST CANCER NOS; Breast Cancer; Breast cancer; Breast--Cancer; ...C04.588.180; C17.800.090.500C00061420.023517745
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.023074946
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.023021747
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.02286948
D004408Adverse taste perception; DYSGEUSIA; Disordered taste; Distorted taste; Disturbance;taste; Dysgeusia; ...C10.597.751.861.479; C23.888.592.763.861.479C00133780.022661349
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.022644950

[10] Untitled

Original SMILES:
Cc1nc(Nc2nc(O)cc(-c3ccccc3)n2)n[nH]1

Prepared SMILES:
Oc1nc(Nc2n[nH]c(n2)C)nc(c1)c1ccccc1

D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.05681211
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.05315042
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.0521883
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.05135964
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.04761375
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.04673936
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.04462057
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.04438748
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.04079829
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.039320510
D006930HYPERALGESIA; HYPERALGIA; Hyperalgesia; Hyperalgia; Hyperpathia; Increased sensitivity to painful stimulus; ...C10.597.751.791.400; C23.888.592.763.770.400C00204290.037670611
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.035598712
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.03459713
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.03325214
D005221FATIGUE; FatigueC23.888.369C00156720.033148115
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.032679816
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.0322217
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.031892218
D003110CA - Cancer of colon; COLON CANCER; COLON NOS CANCER; ...C04.588.274.476.411.307.180; C06.301.371.411.307.180; C06.405.249.411.307.180; C06.405.469.158.356.180; C06.405.469.491.307.180C00071020.031270919
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.031027520
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.030641621
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.030595722
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.030441423
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.030059624
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.029292125
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.029203826
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.028429627
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.026883728
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.026609529
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.026481830
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.026345231
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.025894932
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.024660533
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.024409134
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.024202135
D008288Cameroon fever; Cameroon; fever; Corsican fever; Disease caused by Plasmodiidae; ...C03.752.530C00245300.023944736
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.023864737
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.023819938
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.023596939
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.023392440
D059350Chronic Pain; Chronic pain; Long-lasting pain; PAIN CHRONIC; Pain;chronic; chronic ...C23.888.592.612.274C01500550.023060241
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.022926942
D018771ARTHRALGIA; ARTHRALGIAS; Ache in joint; Arthralgia; Arthralgias; Arthrodynia; Articular pain; ...C05.550.091; C23.888.592.612.094; F02.830.816.444.350; G11.561.790.444.350C00038620.022865143
D004487Dropsy; Dropsy, NOS; EDEMA; EDEMA NOS; EDEMATOUS; EdemaC23.888.277C00136040.022696644
D013921THROMBOCYTOPENIA; Thrombocytopaenia; Thrombocytopenia; Thrombocytopenia, NOS; Thrombocytopenia, unspecified; Thrombocytopenic disorder; thrombocytopaenia; ...C15.378.140.855C00400340.02267445
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.022656646
D001416BACK PAIN; BACKACHE; BACKPAIN; Back Pain; Back ache; Back pain; ...C23.888.592.612.107C00046040.022602847
D012131Insufficiency, Pulmonary; PR - Pulmonary regurgitation; PULMONARY INSUFFICIENCY; PULMONARY REGURGITATION; ...C08.618.846; C14.280.484.660C00340880.022051548
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.021946749
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.021858650

[11] Untitled

Original SMILES:
O=[N+]([O-])c1cc(O)cc(/C=N/c2c3ccccc3nc3ccccc23)c1

Prepared SMILES:
Oc1cc(/C=N/c2c3ccccc3nc3c2cccc3)cc(c1)N(=O)=O

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.08977511
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.08131382
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.05518993
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.05498424
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.0540375
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.05264666
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.05148737
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.05114978
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.04919599
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.048025210
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.046371711
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.043055812
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.041280813
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.041245214
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.040967415
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.040723316
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.039138117
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.038867818
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.038736119
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.037122620
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.035541921
D001943BREAST CANCER; BREAST CANCER NOS; Breast Cancer; Breast cancer; Breast--Cancer; ...C04.588.180; C17.800.090.500C00061420.035403322
D004487Dropsy; Dropsy, NOS; EDEMA; EDEMA NOS; EDEMATOUS; EdemaC23.888.277C00136040.035246323
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.035152824
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.034055825
D002375Catalepsy; catalepsyC10.597.350.200; C23.888.592.350.200C00073700.031731126
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.031455927
D005221FATIGUE; FatigueC23.888.369C00156720.031390628
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.031155929
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.030744430
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.03070931
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.02986532
D008175LUNG TUMOR; Lung Neoplasm; Lung Neoplasms; Lung Tumor; Lung neoplasm; ...C04.588.894.797.520; C08.381.540; C08.785.520C00241210.029778633
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.029712234
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.029480335
D017449ACD - Allergic contact dermatitis; Allergic Contact Dermatitis; Allergic contact ...C17.800.174.255.100; C17.800.815.255.100; C20.543.418.150C01628200.028815236
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.028603537
D007674Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...C12.777.419; C13.351.968.419C00226580.028464938
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.028319839
D009369CA; CA - Cancer; CANCER; Cancer; MALIGNANCY; MALIGNANT TUMOR; MalignancyC04C00068260.028037940
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.028025741
D015431Decreased body weight; Decreased weight; Decreased;weight; Losing weight; Loss (of);weight; ...C23.888.144.243.963; G07.345.249.314.120.200.963C12624770.027600242
D008113HEPATIC NEOPLASIA; HEPATIC NEOPLASM; Hepatic neoplasia; Hepatic neoplasm; Hepatic tumor; ...C04.588.274.623; C06.301.623; C06.552.697C00239030.02725443
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.02626244
D006725ANCYLOSTOMIASIS; Ancylostoma; infestation; Ancylostomiasis; Ancylostomosis; Ankylostomiasis; Hookworm infection by Ancylostoma; ...C03.335.508.700.775.455C00028310.025930645
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.025720146
D009361neoplasm invasivenessC04.697.645; C23.550.727.645C00276260.02525247
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.025235548
D006323ASYSTOLE; Arrest, Cardiac; Asystole; CA - Cardiac arrest; CARDIAC ARREST; ...C14.280.383C00187900.025071449
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.024880550

[12] Untitled

Original SMILES:
CC12CCC3C(CCC4(O)CC(O)CCC34/C=N\C34CC5CC(CC(C5)C3)C4)C1(O)CCC2C1=CC(=O)OC1

Prepared SMILES:
O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC2(C1(CCC(C2)O)/C=N\C12CC3CC(C2)CC(C1)C3)O)O

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.08845261
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.08760692
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.07690283
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.07477224
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.07227365
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.06897346
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.06754357
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.06526228
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.06257549
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.058545710
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.058070611
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.057716412
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.055883813
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.053286614
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.050709315
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.048705716
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.046889417
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.046878318
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.04563719
D005221FATIGUE; FatigueC23.888.369C00156720.044949320
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.044227721
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.044127322
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.043111323
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.042182424
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.041941625
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.040101726
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.039388527
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.039264628
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.037813729
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.036245930
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.036195531
D006331Cardiac diseases; Cardiac disorder; Cardiopathy; Cardiopathy, NOS; Disease or syndrome ...C14.280C00187990.036087732
D001281AF; AF - Atrial fibrillation; AFib; ATRIAL FIBRILLATION; Afib; Atrial ...C14.280.067.198; C23.550.073.198C00042380.035666333
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.035494934
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.035331835
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.035229336
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.03500337
D017449ACD - Allergic contact dermatitis; Allergic Contact Dermatitis; Allergic contact ...C17.800.174.255.100; C17.800.815.255.100; C20.543.418.150C01628200.034746238
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.034434839
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.034383840
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.033158641
D006323ASYSTOLE; Arrest, Cardiac; Asystole; CA - Cardiac arrest; CARDIAC ARREST; ...C14.280.383C00187900.033001942
D014693Cardiac arrest - ventricular fibrillation; FIBRILLATION VENTRICULAR; Fibrillation, Ventricular; Fibrillation;ventricular; ...C14.280.067.922; C23.550.073.922C00425100.032981643
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.03278644
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.032478845
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.031251846
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.030717347
D008508Drug error; MEDICATION ERROR; Medication Error; Medication Errors; Medication error; ...E02.319.529; N02.421.450.500C00251150.030412648
D013035CRAMP; Cramp; Cramp in muscle; Cramp in muscle, NOS; Cramp(s); ...C05.651.475; C10.597.613.500; C23.888.592.608.500; C10.597.613.750; C23.888.592.608.750C00268210.030382149
D009369CA; CA - Cancer; CANCER; Cancer; MALIGNANCY; MALIGNANT TUMOR; MalignancyC04C00068260.029956950

[13] Untitled

Original SMILES:
N=C1NCCCS1

Prepared SMILES:
N=C1NCCCS1

D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.0480391
D004938Esophageal Neoplasm; Esophageal Neoplasms, Benign and Malignant; Esophageal Tumor; Esophageal ...C04.588.274.476.205; C04.588.443.353; C06.301.371.205; C06.405.117.430; C06.405.249.205C00148590.04363352
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.04221953
D055370Injury of lung; Traumatic lung injury; Unspecified injury of lung, ...C08.381.520; C26.891.554C02731150.03308144
D002819CHOREA; Chorea; Chorea syndrome; Choreaform movement; Choreic movement; Choreic movements; ...C10.228.662.262.249; C10.597.350.250; C23.888.592.350.250C00084890.03171455
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.03051626
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.0299087
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.02952638
D007674Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...C12.777.419; C13.351.968.419C00226580.029399
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.027997110
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.026407911
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.025028512
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.023550813
D012772Endotoxic shock; Gram-negative septic shock; Gram-negative shock; Shock due to ...C01.539.757.800; C23.550.470.790.500.800; C23.550.835.900.712C00369810.023523314
D006470BLEEDING; BLOOD LOSS; Bleeding; Bleeding, NOS; Blood loss; Extravasation blood; ...C23.550.414C00190800.023338815
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.023236216
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.022993117
D003556Bladder infection; CYSTITIS; Cystitis; Cystitis of the urinary bladder; Cystitis, ...C12.777.829.495; C13.351.968.829.495C00106920.022210918
D000140ACIDOSIS LACTIC; LACTIC ACIDOSIS; Lactic Acidosis; Lactic acidosis; Lacticacidosis; acidosis ...C18.452.076.176.180C00011250.021904419
D011015ASPIRATION PNEUMONIA; Aspiration pneumonia; Aspiration pneumonia, NOS; Aspiration pneumonitis; Aspiration ...C08.381.677.529; C08.730.610.529C00322900.020647520
D011014Lung inflamed; PNEUM; PNEUMONIA; Pneumonia; Pneumonia, NOS; Pneumonia, unspecified; Pneumonitis, ...C08.381.677; C08.730.610C00322850.02010621
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.019344722
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.019322523
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.019151324
D015431Decreased body weight; Decreased weight; Decreased;weight; Losing weight; Loss (of);weight; ...C23.888.144.243.963; G07.345.249.314.120.200.963C12624770.019035125
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.018223626
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.018095427
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.018058628
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.017876329
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.017812630
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.017800331
D005221FATIGUE; FatigueC23.888.369C00156720.016978332
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.016303433
D001284ATROPHY; Atrophic; Atrophy; Atrophy, NOS; atrophic; atrophied; atrophies; atrophy; atrophyingC23.300.070C03336410.015657334
D006965Cellular proliferation; HYPERPLASIA; Hypercellular; Hypercellularity; Hyperplasia; Hyperplasia, NOS; Hyperplastic; Proliferation, ...C23.550.444C00205070.015549235
D017449ACD - Allergic contact dermatitis; Allergic Contact Dermatitis; Allergic contact ...C17.800.174.255.100; C17.800.815.255.100; C20.543.418.150C01628200.015350736
D005355Desmoplasia; FIBROSIS; Fibroplasia; Fibroplasia, NOS; Fibrosis; Fibrosis, NOS; Fibrous repair; ...C23.550.355C00160590.015223537
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.015203738
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.014990439
D011658Cirrhosis of lung; Cirrhosis of lung, NOS; Fibrosis of lung; ...C08.381.765C00340690.014778640
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.014594841
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.014515542
D017563INTERSTITIAL PNEUMONIA; Interstitial Pneumonia; Interstitial Pneumonitis; Interstitial pneumonia; Interstitial pneumonitis; ...C08.381.483C02060610.014294643
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.013901244
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.013877545
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.01363846
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.013234247
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.013175948
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.013003649
D008171Disease of lung, NOS; Disease;lung; Disorder of Lung; Disorder of ...C08.381C00241150.01290750

[14] Untitled

Original SMILES:
CN1C(=O)/C(=C\Nc2ccccc2)C=C1c1ccccc1

Prepared SMILES:
O=C1/C(=C\Nc2ccccc2)/C=C(N1C)c1ccccc1

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.05278051
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.05022172
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.04690043
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.04668724
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.04110665
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.04039566
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.04013787
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.03848368
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.03752999
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.037113610
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.035949311
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.035180912
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.034248913
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.033672614
D005221FATIGUE; FatigueC23.888.369C00156720.033562915
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.032514716
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.031957517
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.031173518
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.029738219
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.026954820
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.026675721
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.025566522
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.025332123
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.025086924
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.025070625
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.024949626
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.02429727
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.024296128
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.023617929
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.023604330
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.023336131
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.023326332
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.023199433
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.021568134
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.021150835
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.021021236
D013035CRAMP; Cramp; Cramp in muscle; Cramp in muscle, NOS; Cramp(s); ...C05.651.475; C10.597.613.500; C23.888.592.608.500; C10.597.613.750; C23.888.592.608.750C00268210.020985837
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.020583338
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.020536339
D001416BACK PAIN; BACKACHE; BACKPAIN; Back Pain; Back ache; Back pain; ...C23.888.592.612.107C00046040.020373340
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.020269341
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.020236542
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.019921843
D004415DYSPEPSIA; Dyspepsia; Dyspepsia, NOS; Dyspepsia/indigestion; INDIGESTION; IndigestionC23.888.821.236C00133950.019670944
D003248CN - Constipation; CONSTIPATION; Constipated; ConstipationC23.888.821.150C00098060.019557245
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.019506546
D023341CHILL; CHILLS; Chill; Chills; ague; chill; chill shaking; chilling; chillsC23.888.208C00855930.019376647
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.019059948
D007674Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...C12.777.419; C13.351.968.419C00226580.0188549
D014786Disorder of Visual System; Disorder of vision; Disorder of vision, ...C10.597.751.941; C11.966; C23.888.592.763.941C00427900.018651350

[15] Untitled

Original SMILES:
Cc1cc(C)nc(NC(=N)NCCc2cccs2)n1

Prepared SMILES:
N=C(Nc1nc(C)cc(n1)C)NCCc1cccs1

D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.06822131
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.06592152
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.0634373
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.05697524
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.05331045
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.05284426
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.04740377
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.04674618
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.04620939
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.042222110
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.041874611
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.041845812
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.041329813
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.038168714
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.03810915
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.037684216
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.037665217
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.035777618
D005221FATIGUE; FatigueC23.888.369C00156720.034794919
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.034766620
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.033060521
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.03257922
D009069Abnormality of movement; MOVEMENT DISORDER; Movement Disorder; Movement Disorders; Movement ...C10.228.662C00266500.032237523
D006930HYPERALGESIA; HYPERALGIA; Hyperalgesia; Hyperalgia; Hyperpathia; Increased sensitivity to painful stimulus; ...C10.597.751.791.400; C23.888.592.763.770.400C00204290.031717824
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.030600225
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.029111426
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.02910727
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.028633128
D001008ANXIETY DISORDER; Anxiety; Anxiety Disorder; Anxiety Disorders; Anxiety disorder; Anxiety ...F03.080C00034690.028421829
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.02840230
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.028085131
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.02785332
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.02698533
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.025311334
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.024044835
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.023867336
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.023839637
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.023390438
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.023295139
D005483FLUSHES; FLUSHING; Face goes red; Flush; Flushed; Flushes; FlushingC23.888.885.344C00163820.023261240
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.023034241
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.02273342
D013575A faint; Attack(s);fainting; Blackout; FAINTING; FAINTING EPISODES; FAINTNESS; Faint; Fainted; ...C10.597.606.358.800.600; C23.888.592.604.359.800.600C00390700.022571843
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.022402944
D006940Engorgement; Engorgement, NOS; HYPEREMIA; Hyperaemia; Hyperaemia, NOS; Hyperemia; Hyperemia, NOS; ...C14.907.474C00204520.022401545
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.02195146
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.021642647
D005119extravasation of diagnostic and therapeutic materialsC23.550.340; C26.371C00153790.021603948
D059226nociceptive painC23.888.592.612.720C31787660.021598749
D013035CRAMP; Cramp; Cramp in muscle; Cramp in muscle, NOS; Cramp(s); ...C05.651.475; C10.597.613.500; C23.888.592.608.500; C10.597.613.750; C23.888.592.608.750C00268210.021253750

[16] Untitled

Original SMILES:
Brc1ccc(/C=N/c2cc3ccccc3cc2/N=C/c2ccc(Br)o2)o1

Prepared SMILES:
Brc1ccc(o1)/C=N/c1cc2ccccc2cc1/N=C/c1ccc(o1)Br

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.06287321
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.05045682
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.04795693
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.04642734
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.04405175
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.04342326
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.0432287
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.04288168
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.04212689
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.038900310
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.038397411
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.037313812
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.035448413
D005221FATIGUE; FatigueC23.888.369C00156720.034869514
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.034542715
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.03431516
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.032950117
D008113HEPATIC NEOPLASIA; HEPATIC NEOPLASM; Hepatic neoplasia; Hepatic neoplasm; Hepatic tumor; ...C04.588.274.623; C06.301.623; C06.552.697C00239030.032899918
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.032743219
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.031250420
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.031233921
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.030282522
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.029952723
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.029748524
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.02848525
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.02747726
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.0273527
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.027047528
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.02657129
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.026337930
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.026335831
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.025876932
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.025009633
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.024866234
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.024704835
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.024364336
D012135Friction rub, pleural; Pleural Friction Rub; Pleural friction rub; Pleural ...C23.888.852.779; E01.370.386.720; G09.772.775C00322300.024235937
D015431Decreased body weight; Decreased weight; Decreased;weight; Losing weight; Loss (of);weight; ...C23.888.144.243.963; G07.345.249.314.120.200.963C12624770.023429738
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.023415539
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.022624540
D001416BACK PAIN; BACKACHE; BACKPAIN; Back Pain; Back ache; Back pain; ...C23.888.592.612.107C00046040.022303641
D012131Insufficiency, Pulmonary; PR - Pulmonary regurgitation; PULMONARY INSUFFICIENCY; PULMONARY REGURGITATION; ...C08.618.846; C14.280.484.660C00340880.022047342
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.02203143
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.021658844
D013035CRAMP; Cramp; Cramp in muscle; Cramp in muscle, NOS; Cramp(s); ...C05.651.475; C10.597.613.500; C23.888.592.608.500; C10.597.613.750; C23.888.592.608.750C00268210.021063645
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.020811546
D004415DYSPEPSIA; Dyspepsia; Dyspepsia, NOS; Dyspepsia/indigestion; INDIGESTION; IndigestionC23.888.821.236C00133950.020713447
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.020699648
D063806Aching muscles; MUSCLE PAIN; MUSCLE PAIN GENERALIZED; MUSCULAR PAIN; MYALGIA; ...C05.651.542; C10.668.491.525; C23.888.592.612.547.249; F02.830.816.353.500; G11.561.790.353.500C02315280.019953849
D003863DEPRESSION; Depression; Depression (Emotion); Depression, Mental; Depression, NOS; Depression, mental; ...F01.145.126.350C00115700.019890350

[17] Untitled

Original SMILES:
CCOc1ccc/c(=N\C2CCCCC2)c2c(C)n(C)c(C)c12

Prepared SMILES:
CCOc1ccc/c(=N\C2CCCCC2)/c2c1c(C)n(c2C)C

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.0692241
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.06668982
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.0661173
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.06304754
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.06258685
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.05963096
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.05934577
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.05817668
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.05733569
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.056570610
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.054767511
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.053661612
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.050382113
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.050024614
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.048735615
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.047192916
D007674Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...C12.777.419; C13.351.968.419C00226580.045895417
D005221FATIGUE; FatigueC23.888.369C00156720.045727218
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.044487819
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.041531620
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.039598621
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.039471822
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.039428823
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.039205424
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.038934825
D007970Decreased blood leukocyte number; LEUCOPENIA; LEUKOPENIA; Leucopenia, NOS; Leukocytopenia; Leukocytopenia, ...C15.378.553.546; C15.378.553.546.184.564C00235300.038410526
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.038334127
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.038312628
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.0378529
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.037285230
D006331Cardiac diseases; Cardiac disorder; Cardiopathy; Cardiopathy, NOS; Disease or syndrome ...C14.280C00187990.035861731
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.035616432
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.035195133
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.034428134
D014786Disorder of Visual System; Disorder of vision; Disorder of vision, ...C10.597.751.941; C11.966; C23.888.592.763.941C00427900.034199435
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.034071336
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.033302537
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.033281838
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.033237339
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.033096740
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.03286241
D000799ANGIOEDEMA; ANGIONEUROTIC EDEMA; Angio-edema; Angio-edema-urticaria; Angio-oedema; Angio-oedema-urticaria; Angioedema; Angioedema, NOS; ...C14.907.079; C17.800.862.945.066; C20.543.480.904.066C00029940.032629142
D012131Insufficiency, Pulmonary; PR - Pulmonary regurgitation; PULMONARY INSUFFICIENCY; PULMONARY REGURGITATION; ...C08.618.846; C14.280.484.660C00340880.03219343
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.030985244
D003680Can't get food down; Cannot get food down; DYSPHAGIA; Deglutition ...C06.405.117.119; C09.775.174C00111680.030921345
D018771ARTHRALGIA; ARTHRALGIAS; Ache in joint; Arthralgia; Arthralgias; Arthrodynia; Articular pain; ...C05.550.091; C23.888.592.612.094; F02.830.816.444.350; G11.561.790.444.350C00038620.030758546
D004415DYSPEPSIA; Dyspepsia; Dyspepsia, NOS; Dyspepsia/indigestion; INDIGESTION; IndigestionC23.888.821.236C00133950.030716847
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.030563648
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.030207949
D053609LETHARGY; Lethargic; Lethargy; Listless; Stuporous; Torpid; demonstrated behavior lethargy; demonstrates ...C10.597.606.441; C23.888.592.604.444; F01.700.470C00233800.029500350

[18] Untitled

Original SMILES:
Cc1cc(C)nc(NC(=N)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1

Prepared SMILES:
N=C(Nc1ccc(cc1C(=O)c1ccccc1)Cl)Nc1nc(C)cc(n1)C

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.1008981
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.07424892
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.06810373
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.0664854
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.06586895
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.06378836
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.06122187
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.06062948
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.06007539
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.055928810
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.055063911
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.051926312
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.048993513
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.048321714
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.047973915
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.046857116
D005221FATIGUE; FatigueC23.888.369C00156720.04646217
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.045387118
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.042107219
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.040615320
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.040531921
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.039754222
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.038660923
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.037605824
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.036466925
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.036464926
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.035179727
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.034819328
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.034715829
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.034415130
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.034046831
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.033829532
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.032302133
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.032131534
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.031960835
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.031882736
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.031275637
D012131Insufficiency, Pulmonary; PR - Pulmonary regurgitation; PULMONARY INSUFFICIENCY; PULMONARY REGURGITATION; ...C08.618.846; C14.280.484.660C00340880.031100238
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.031010339
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.030039340
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.029020641
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.028916242
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.028694243
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.028305644
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.02797845
D013575A faint; Attack(s);fainting; Blackout; FAINTING; FAINTING EPISODES; FAINTNESS; Faint; Fainted; ...C10.597.606.358.800.600; C23.888.592.604.359.800.600C00390700.027748246
D001416BACK PAIN; BACKACHE; BACKPAIN; Back Pain; Back ache; Back pain; ...C23.888.592.612.107C00046040.027667247
D006212HALLUCINATION; HALLUCINATIONS; Hallucination; Hallucination, NOS; Hallucinations; Hallucinations, unspecified; hallucinate; hallucinated; ...C10.597.606.762.300; C23.888.592.604.764.300; F01.700.750.300C00185240.027501248
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.02727549
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.027167850

[19] Untitled

Original SMILES:
CCn1nccc1C(=O)Nc1cc(-c2cc3ccccc3n2CC)n[nH]1

Prepared SMILES:
CCn1c(cc2c1cccc2)c1n[nH]c(c1)NC(=O)c1ccnn1CC

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.08649591
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.08625462
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.08307883
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.07389794
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.07036485
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.06933936
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.06491137
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.06321078
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.06236739
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.061940910
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.060549111
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.059160712
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.057696213
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.054688714
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.053156315
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.051662616
D005221FATIGUE; FatigueC23.888.369C00156720.049553517
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.048272518
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.045311819
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.044394120
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.043635221
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.042980522
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.042549423
D004487Dropsy; Dropsy, NOS; EDEMA; EDEMA NOS; EDEMATOUS; EdemaC23.888.277C00136040.042011524
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.042008125
D009374Experimental TumorC04.619; E05.598.500.496C00276590.0417726
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.041628927
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.040880628
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.039522129
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.038553230
D013921THROMBOCYTOPENIA; Thrombocytopaenia; Thrombocytopenia; Thrombocytopenia, NOS; Thrombocytopenia, unspecified; Thrombocytopenic disorder; thrombocytopaenia; ...C15.378.140.855C00400340.038080831
D003092COLITIS; COLON NOS INFLAMMATION; Colitis; Colitis, NOS; Colon inflamed; Colon ...C06.405.205.265; C06.405.469.158.188C00093190.037909832
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.03755133
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.037395334
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.037161435
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.037051636
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.036339137
D006331Cardiac diseases; Cardiac disorder; Cardiopathy; Cardiopathy, NOS; Disease or syndrome ...C14.280C00187990.035013538
D000799ANGIOEDEMA; ANGIONEUROTIC EDEMA; Angio-edema; Angio-edema-urticaria; Angio-oedema; Angio-oedema-urticaria; Angioedema; Angioedema, NOS; ...C14.907.079; C17.800.862.945.066; C20.543.480.904.066C00029940.034411439
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.03426440
D000855ANOREXIA; Anorexia; anorectic; anorexiaC23.888.821.108C00031230.034178341
D009410Nerve degeneration; Neurodegeneration; Ongoing loss of nerve cells; degeneration nerves; ...C23.550.737C00277460.03415242
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.033934543
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.033544244
D006528CARCINOMA OF LIVER; CARCINOMA, HEPATOCELLULAR, MALIGNANT; Carcinoma of Liver Cells; ...C04.557.470.200.025.255; C04.588.274.623.160; C06.301.623.160; C06.552.697.160C22391760.033356945
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.033125446
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.032888547
D014552Infection of urinary tract; Infection, Urinary Tract; Tract, Infection Of ...C01.539.895; C12.777.892; C13.351.968.892C00420290.032545348
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.03215649
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.032144450

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
244592026-08-13
23:13:23		Adverse drug events (ADEs)ADENetGlobal drug-ADE association network (version 2021)Morgan fingerprint, similar to FCFP_4 Downloadk = 2, Top 50Download

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