araag2/HINT huggingface dataset:
Clinical trial NCT01021813 (phase 3, status: completed)
Conditions: insomnia
ICD codes: F51.01, F51.02, F51.03, F51.04, G47.00, G47.09, A81.83
Drugs: suvorexant, dose-matched placebo to suvorexant
SMILES: ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Diagnosis of primary insomnia

          -  Participant is able to read, understand, and complete questionnaires and diaries

          -  If female, participant and partner both agree to use acceptable contraception. If male
             partner does not use an effective form of contraception, female participant must use 2
             acceptable forms of contraception

          -  If ≥65 years of age, score of ≥25 on the Mini Mental State Examination (MMSE)

        Exclusion Criteria:

          -  If female, participant is pregnant

          -  Participant expects to donate eggs or sperm during the study

          -  Recent and/or active history of a confounding neurological disorder

          -  History of clinically unstable cardiovascular disorder within the last 6 months

          -  Lifetime history of bipolar disorder

          -  Psychiatric condition that requires treatment with a medication prohibited by the
             study, or any other psychiatric condition that would interfere with the participant's
             ability to participate in the study

          -  History of substance abuse/dependence

          -  History of cancer ≤5 years prior to study participation except for adequately treated
             basal cell or squamous cell skin cancer or in situ cervical cancer

          -  Evidence of suicidality (based on a score of 2 on the Quick Inventory of Depressive
             Symptomatology Self-Report 16-Item ([QIDS-SR16] suicide item #12)

          -  Participant has travelled across >3 time zones or >3 hour time difference in the last
             2 weeks

          -  History of permanent night shift work or rotating day/night shift work in the past 2
             weeks

          -  Body Mass Index (BMI) >40 kg/m^2
Clinical trial NCT00688740 (phase 3, status: completed)
Conditions: breast cancer
ICD codes: C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60
Drugs: docetaxel, 5-fluorouracil, doxorubicin, cyclophosphamide
SMILES: [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1, FC1=CNC(=O)NC1=O, COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O, ClCCN(CCCl)P1(=O)NCCCO1
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically proven breast cancer (invasive adenocarcinoma with at least one
             axillary lymph node showing evidence of tumor among a minimum of six resected lymph
             nodes).

          -  Definitive surgical treatment must be either mastectomy, or breast conserving surgery
             with axillary lymph node dissection for operable breast cancer. Margins of resected
             specimen from definitive surgery must be histologically free of invasive
             adenocarcinoma and ductal carcinoma.

        Exclusion criteria:

          -  Prior systemic anticancer therapy for breast cancer (immunotherapy, hormonotherapy,
             chemotherapy).

          -  Prior anthracycline therapy or taxoids (paclitaxel, docetaxel) for any malignancy.
Clinical trial NCT00091572 (phase 3, status: completed)
Conditions: melanoma
ICD codes: C43.0, C43.31, D03.9, C43.51, C43.9, D03.0, C43.4
Drugs: temozolomide, dacarbazine
SMILES: CSCC[C@H](N)C(O)=O, N1C=CN=C1
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically confirmed, stage IV, surgically incurable melanoma

          -  Age 18 years or older

          -  World Health Organization (WHO) Eastern Cooperative Oncology Group (ECOG) performance
             status of 0 or 1

          -  Meets protocol requirements for specified laboratory values

          -  Must be able to take oral medication

          -  Must be disease free from cancer for period of 5 years (except for surgically cured
             carcinoma in-situ of the cervix and basal or squamous cell carcinoma of the skin).

          -  Women of childbearing potential and men must be practicing a medically approved
             contraception.

          -  Must provide written informed-consent to participate in the study.

          -  Must have full recovery from major surgery or adjuvant treatment

          -  No clinically uncontrolled infectious disease including HIV or AIDS-related illness

        Exclusion Criteria:

          -  Ocular melanomas

          -  Brain Metastases

          -  Prior cytokine or chemotherapy for stage IV disease

          -  Pregnant or nursing women
Clinical trial NCT00191945 (phase 3, status: completed)
Conditions: attention deficit hyperactivity disorder
ICD codes: F90.2, F90.8, F90.9, F90.0, F90.1
Drugs: atomoxetine hydrochloride, placebo
SMILES: CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          1. Child or adolescent patients must be at least 6 years of age, but must not yet have
             reached their 16th birthday prior to Visit 1, when informed consent is obtained.

          2. Patients must meet the Diagnostic and Statistical Manual for Mental Disorders, Fourth
             Edition Text Revision (DSM-IV-TR) diagnostic criteria for ADHD. For the purposes of
             this study the diagnosis of ADHD will be confirmed during Visit 1 by administering the
             K-SADS-PL. Patients must also have an ADHDRS-IV-Parent:Inv score at least 1.5 standard
             deviations above the age norm for their diagnostic subtype at both Visit 1 and Visit
             2. In addition, they must have a CGI-ADHD-S score 4 at both Visit 1 and Visit 2.

          3. Patients must have a newly diagnosed case of ADHD. Newly diagnosed case of ADHD means
             that a specialist (including pediatrician, child psychiatrist, or child neurologist)
             or child psychologist has diagnosed ADHD (according DSM-IV-TR or International
             Statistical Classification of Diseases and Related Health Problems [World Health
             Organisation; 10th Revision] [ICD 10] criteria) within 3 months prior to Visit 1.

        Exclusion Criteria:

          1. Patients with history of ADHD diagnosis longer than 3 months prior to Visit 1.
             Diagnosis of ADHD means that a specialist (including pediatrician, child psychiatrist,
             or child neurologist) or child psychologist has diagnosed ADHD (according DSM-IV-TR or
             ICD 10 criteria) and has registered it in medical records or verbally informed parents
             about this diagnosis.

          2. Patients who weigh less than 20 kg at study entry (Visit 1). If a patient's weight
             changes after Visit 1 to a value outside of the stated range, the patient will still
             be eligible, and the weight should be rounded to the nearest value within the above
             range for dosing purposes.
Clinical trial NCT00249795 (phase 3, status: completed)
Conditions: atrial fibrillation, cardiovascular disease
ICD codes: I48.0, I48.21, I48.91, I48.11, I48.19, I48.20, A52.00, A52.09, A50.54, Z01.810, Q87.418, Z13.6, R94.30
Drugs: irbesartan, placebo
SMILES: CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

        Should fulfill the eligibility criteria for ACTIVE A or ACTIVE W trial and:

          -  have a systolic blood pressure of at least 110 mmHg

          -  not already receiving an angiotensin receptor blocking agent, unless they are willing
             and able to be changed to another antihypertensive agent

          -  no previous intolerance to angiotensin receptor blocking agents

          -  no proven indication for angiotensin receptor blocking agents, unless an Angiotensin
             Converting Enzyme (ACE) inhibitor can be substituted

        Exclusion Criteria:

        Patients will be excluded from ACTIVE study if any of the following are present:

          -  requirement for clopidogrel (such as recent coronary stent procedure)

          -  requirement for oral anticoagulant (such as prosthetic mechanical heart valve)

          -  prior intolerance to acetylsalicyclic acid (ASA) or clopidogrel

          -  documented peptic ulcer disease within the previous 6 months

          -  prior intracerebral hemorrhage

          -  significant thrombocytopenia (platelet count <50 x 10(9)/L)

          -  psychosocial reason making study participation impractical

          -  geographic reason making study participation impractical

          -  ongoing alcohol abuse

          -  mitral stenosis

          -  pregnant or nursing woman or woman of child bearing potential and not on effective
             birth control for at least one month prior to start of study or not willing to
             continue on birth control for duration of study

          -  severe comorbid condition such that the patient is not expected to survive 6 months

          -  patient currently receiving an investigational pharmacologic agent

          -  requirement for chronic (> 3 months) non-cyclooxygenase-2 (non-COX-2) inhibitor
             nonsteroidal anti-inflammatory drug (NSAID) therapy unless willing enrolled in ACTIVE
             A
Clinical trial NCT01015287 (phase 3, status: completed)
Conditions: acute coronary syndromes
ICD codes: I24.0
Drugs: placebo, prasugrel
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O, CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1
Eligibility criteria:

        Inclusion Criteria:

          -  Have acute coronary syndrome consisting of non-ST-segment elevation with elevated
             troponin

          -  Scheduled for coronary angiography/PCI greater than or equal to 2 and less than 24
             hours from time of planned randomization, but no more than 48 hours from randomization

          -  Must be eligible for treatment with prasugrel, aspirin (ASA), and a glycoprotein
             IIb/IIIa receptor (GPIIb/IIIa) inhibitor as per respective labels

          -  May be on a maintenance dose of clopidogrel 75 mg and must be able to switch to
             prasugrel

          -  Must be enrolled at a cardiac catheterization laboratory hospital or at a
             hospital/ambulance service affiliated with a cardiac catheterization laboratory
             hospital

        Exclusion Criteria:

          -  Present with ST-segment elevation myocardial infarction (STEMI) at the time of entry
             or randomization

          -  Have cardiogenic shock

          -  Have refractory ventricular arrhythmias

          -  Have New York Heart Association (NYHA) Class IV congestive heart failure (CHF)

          -  Have had cardiac arrest within 1 week of entry or randomization into the study
Clinical trial NCT01231347 (phase 3, status: terminated)
Conditions: adenocarcinoma of the pancreas, advanced solid tumors, cancer, cancer of pancreas, cancer of the pancreas, metastases, metastatic cancer, metastatic pancreatic cancer, pancreas cancer, pancreatic cancer, bone metastases, endocrine cancer, oncology, oncology patients, solid tumors, advanced malignancy
ICD codes: C22.0, C22.1, C4A.9, C7B.1, D09.9, C4A.0, C4A.31, K74.02, G47.22, H35.3133, H35.3134, H35.3113, H35.3114, H35.3123, C05.2, C10.0, C16.0, C16.4, C17.0, C17.1, C17.2, C05.2, C10.0, C16.0, C16.4, C17.0, C17.1, C17.2, C05.2, C10.0, C16.0, C16.4, C17.0, C17.1, C17.2, C25.3, D13.6, C25.4, C25.9, D13.7, C25.0, C25.1, C25.2, C25.3
Drugs: amg 479, placebo, amg 479, gemcitabine
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O, [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Reason stopped: 
    planned independent dmc interim review: ended for futility w/no safety concerns
  
Eligibility criteria:

        Inclusion Criteria:

          -  Untreated metastatic adenocarcinoma of the pancreas

          -  Adequate hematologic, renal and liver function

          -  Eastern Cooperative Oncology Group (ECOG) 0 or 1

        Exclusion Criteria:

          -  Prior chemotherapy or radiotherapy for pancreatic cancer

          -  Central nervous system metastases

          -  External biliary drain
Clinical trial NCT00355615 (phase 3, status: completed)
Conditions: familial hypercholesterolemia
ICD codes: E78.01, Z83.42
Drugs: rosuvastatin, placebo
SMILES: CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Male or female (at least 1 year post-menarche) children and adolescents (aged 10 -17
             years) with heterozygous familial hypercholesterolemia (HeFH)

        Exclusion Criteria:

          -  Certain medical conditions and lab test results

          -  History of a reaction to rosuvastatin or other statin drugs

          -  Use of specified disallowed medications
Clinical trial NCT00506389 (phase 3, status: completed)
Conditions: insomnia
ICD codes: F51.01, F51.02, F51.03, F51.04, G47.00, G47.09, A81.83
Drugs: esmirtazapine, placebo
SMILES: [H][C@]12CN(C)CCN1C1=C(CC3=CC=CC=C23)C=CC=N1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Documented diagnosis of chronic primary insomnia

        Exclusion Criteria:

          -  Other sleep disorder such as sleep apnea, restless leg syndrome, narcolepsy,
             sleep/wake rhythm disorders

          -  Has significant medical or psychiatric illness as causing the sleep disorder

          -  Diagnosed with major depressive disorder

          -  Substance abuse within the past year

          -  Night worker or work on rotating shifts

          -  Has had serious head injury, stroke, epilepsy

          -  Has a history of bipolar disorder or family (immediate family) history of suicide

          -  Smokes more than 15 cigarettes per day and cannot abstain from smoking during the
             night or in the sleep laboratory

          -  Drinks beverages containing more than 500 mg caffeine per day
Clinical trial NCT00711269 (phase 3, status: completed)
Conditions: schizophrenia
ICD codes: F20.0, F20.1, F20.2, F20.3, F20.5, F20.89, F20.9
Drugs: sm-13496 (lurasidone hcl), sm-13496 (lurasidone hcl), placebo, risperidone
SMILES: [H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O, [H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O, OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12
Eligibility criteria:

        Main Inclusion Criteria:

          -  Patient meets DSM-IV criteria for schizophrenia.

          -  Patient is 18 or older but younger than 75 years of age on the day of signing informed
             consent.

          -  Patient understands the objectives, nature, and other aspects of the study and
             voluntarily agrees to participate in the study by providing written informed consent.

        Main Exclusion Criteria:

          -  Patient has a history of neuroleptic malignant syndrome, water intoxication, or
             paralytic ileus.

          -  Patient has Parkinson's disease.

          -  Patient has a history or complication of malignancy.
Clinical trial NCT01413204 (phase 3, status: completed)
Conditions: type 2 diabetes mellitus
ICD codes: E11.65, E11.9, E11.21, E11.36, E11.41, E11.42, E11.44
Drugs: ta-7284 low, ta-7284 high, placebo
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(C)C(CC2=CC=C(S2)C2=CC=C(F)C=C2)=C1, [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(C)C(CC2=CC=C(S2)C2=CC=C(F)C=C2)=C1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Men or women age ≥20 years old

          -  Diagnosed with Type 2 diabetes mellitus at least 3 months before run-in period

          -  HbA1c of ≥7.0% and ≤10.0%

        Exclusion Criteria:

          -  Type I diabetes mellitus, diabetes mellitus resulting from pancreatic disorder,
             secondary diabetes mellitus

          -  Past or current history of severe diabetic complications

          -  Fasting plasma glucose > 270 mg/dL before treatment start

          -  History of hereditary glucose-galactose malabsorption or primary renal glucosuria

          -  Patients requiring insulin therapy
Clinical trial NCT00334126 (phase 3, status: completed)
Conditions: schizophrenia
ICD codes: F20.0, F20.1, F20.2, F20.3, F20.5, F20.89, F20.9
Drugs: paliperidone er tablets, quetiapine tablets, placebo - all over encapsulated
SMILES: CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1
Eligibility criteria:

        Inclusion Criteria:

          -  Diagnostic and Statistical Manual - Fourth Edition (DSM-IV) diagnosis of schizophrenia
             (paranoid, disorganized or undifferentiated type)

          -  score of >=4 on at least two of a subset of selected PANSS items and a total score on
             these five items of >=17

          -  score of >=5 on the CGI-S (clinical global impression - severity)

          -  body weight of at least 60kg and willing to be hospitalized for 9 days initially

        Exclusion Criteria:

          -  A primary active mental illness diagnosis other than schizophrenia

          -  subjects whose psychotic symptoms can be explained by substance intake or medical
             illness

          -  pregnancy, breast-feeding, or planning to become pregnant

          -  a history of treatment resistance (defined by failure to respond to 2 adequate trials
             of different antipsychotic medications or clozapine given at adequate dose for
             sufficient time)

          -  unstable or significant medical illness that would increase risk of taking study
             medication or would confuse the interpretation of the study
Clinical trial NCT00137345 (phase 3, status: terminated)
Conditions: kidney transplant
ICD codes: T86.11, T86.12, T86.13, Z94.0, T86.10, T86.19, Z48.22
Drugs: sirolimus
SMILES: CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
Eligibility criteria:

        Inclusion Criteria:

          -  Dialysis patients who will be receiving their first kidney transplant

          -  Weight over 88 pounds (lbs.)

        Exclusion Criteria:

          -  Very high cholesterol levels

          -  Obesity

          -  Organ donor over 65 years of age if living; over 60 years of age if cadaveric.
Clinical trial NCT00269802 (phase 3, status: completed)
Conditions: attention deficit hyperactivity disorder
ICD codes: F90.2, F90.8, F90.9, F90.0, F90.1
Drugs: oros methylphenidate hcl, ritalin, placebo
SMILES: COC(=O)C(C1CCCCN1)C1=CC=CC=C1, COC(=O)C(C1CCCCN1)C1=CC=CC=C1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Patients who have successfully completed the ALZA screening protocol C-98-011 within
             the past six months

          -  taking or have taken in the past 5 - 20 mg of immediate-release methylphenidate
             (Ritalin®) at least twice a day, 20 - 60 mg of sustained-release methylphenidate
             (Ritalin-SR®) per day, or a combination of immediate-release and sustained-release
             methylphenidate up to a daily dose not exceeding 60 mg, or have successfully completed
             ALZA Protocol C-98-007

          -  agreeing to take only the supplied study drug as treatment for ADHD during the
             four-week treatment phase of the study

          -  who are able to comply with the study visit schedule and whose parent(s) and teacher
             are willing and able to complete the protocol-specified assessments

          -  having normal urinalysis, hematological and blood chemistry values or, if values are
             outside the normal range, they are determined to be not clinically significant by the
             investigator

        Exclusion Criteria:

          -  Patients who have clinically significant gastrointestinal problems, including
             narrowing of the gastrointestinal tract

          -  having glaucoma, an ongoing seizure disorder, a psychotic disorder, clinical
             depression (and are suicidal or require immediate treatment for depression), or a
             diagnosis of Tourette's syndrome

          -  having a known allergy to methylphenidate or currently having significant adverse
             experiences from methylphenidate

          -  having a mean of two blood pressure measurements (systolic or diastolic) equal to or
             greater than the 95th percentile for age, sex, and height at screening

          -  if female, have begun menstruation
Clinical trial NCT01042977 (phase 3, status: completed)
Conditions: type 2 diabetes mellitus, cardiovascular disease, inadequate glycaemic control
ICD codes: E11.65, E11.9, E11.21, E11.36, E11.41, E11.42, E11.44, A52.00, A52.09, A50.54, Z01.810, Q87.418, Z13.6, R94.30, Z59.1, O62.0, Z72.821, Z58.6, Z62.0, Z73.4
Drugs: dapagliflozin, placebo
SMILES: CN(C)C(=N)NC(N)=N, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Type 2 diabetes mellitus.

          -  Cardiovascular disease

          -  Uninterrupted anti-diabetic treatment for at least 8 weeks before enrolment

        Exclusion Criteria:

          -  Patients with type 1 diabetes or diabetes insipidus

          -  Patients with 3 or more oral anti-hyperglycaemic drugs with or without insulin and/or
             poorly controlled diabetes

          -  Any clinically significant illness, which would compromise the patient's safety and
             their participation in the study
Clinical trial NCT01270789 (phase 3, status: completed)
Conditions: type 2 diabetes
ICD codes: E11.65, E11.9, E11.21, E11.36, E11.41, E11.42, E11.44
Drugs: liraglutide, placebo
SMILES: CN(C)C(=N)NC(N)=N, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  men and women between the ages of 30 and 75 years inclusive

          -  physician-diagnosed type 2 diabetes of </= 7 years duration

          -  negative for anti-GAD antibodies

          -  on 0-2 oral anti-diabetic medications

          -  A1c at screening between 5.5% and 9.0% inclusive, if on oral anti-diabetic
             medications, or between 6.0% and 10.0% inclusive, if not on oral anti-diabetic
             medications

        Exclusion Criteria:

          -  use of insulin, GLP-1 agonist, or dipeptidyl peptidase-4 (DPP-4) inhibitor

          -  type 1 diabetes or secondary forms of diabetes

          -  major illness with life expectancy < 5 years

          -  involvement in another study requiring drug therapy

          -  hypersensitivity to insulin, liraglutide, or metformin

          -  renal dysfunction

          -  hepatic dysfunction

          -  history of pancreatitis

          -  family or personal history of Multiple Endocrine Neoplasia type 2 (MEN-2) or familial
             medullary thyroid carcinoma

          -  personal history of non-familial medullary thyroid carcinoma

          -  malignant neoplasm requiring chemotherapy, surgery, radiation or palliative therapy
             within the previous 5 years (with the exception of basal cell skin cancer)

          -  excessive alcohol consumption

          -  unwillingness to undergo multiple daily insulin injection therapy

          -  unwillingness to perform capillary blood glucose monitoring at least 4 times per day
             during intensive insulin therapy

          -  congestive heart failure

          -  pregnancy