araag2/HINT huggingface dataset:
Clinical trial NCT01109615 (phase 2, status: terminated)
Conditions: metastatic colorectal cancer
ICD codes: C05.2, C10.0, C16.0, C16.4, C17.0, C17.1, C17.2
Drugs: pemetrexed, gemcitabine
SMILES: [H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H], [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Reason stopped: 
    lacking effect of treatment
  
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically verified adenocarcinoma in colon or rectum

          -  Age >18

          -  Metastatic colorectal cancer progressed after chemotherapy regimens containing
             fluoropyrimidines, oxaliplatin and irinotecan.

          -  KRAS mutation in primary tumour or metastasis.

          -  Measurable disease according to RECIST

          -  ECOG performance status 0, 1 or 2

          -  Adequate function of liver, kidneys and bone marrow measured by biochemistry (max. 2
             weeks before enrolment)

          -  EDTA clearance: Uncorrected GFR > 45 ml/min.

          -  Neutrophilocytes ≥1.5 x 10^9/l, leukocytes ≥3.0 x 10^9/l, thrombocytes ≥100x10^9/l

          -  ALAT ≤ 3 x upper normal value (ULN), bilirubin ≤ 3 x upper normal value, Aptt and INR
             normal (or 2-3 at AC treatment). (ALAT and basic phosphatase ≤ 5 x upper normal value
             in case of liver metastases).

          -  Blood samples and paraffin embedded tissue from primary tumour and/or metastases for
             translational research.

          -  Fertile men and women (women <2 year after last menstruation) must use efficient birth
             control.

          -  Signed informed consent.

        Exclusion Criteria:

          -  Clinically significant other concurrent disease making the patient unfit for
             participation in the study according to the investigator.

          -  Other malignant disease within 5 years prior to study enrolment, except from
             planocellular and basal cell carcinomas in the skin or carcinoma-in-situ cervix.

          -  Other experimental treatment within 30 days prior to treatment start.

          -  Pregnant or breastfeeding women.

          -  Clinical or radiological signs of CNS metastases.

          -  Planned radiation of target lesions.

          -  Concurrent vaccination against yellow fever.
Clinical trial NCT01058863 (phase 2, status: completed)
Conditions: asthma
ICD codes: J45.998, J82.83, J45.909, J45.991, J45.20, J45.30, J45.40
Drugs: albuterol spiromax®, proair® hfa
SMILES: CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1, CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1
Eligibility criteria:

        Inclusion Criteria:

          -  Must provide written informed consent,

          -  Be between 12 years of age and older,

          -  Male or Female, females of non-child bearing potential or using reliable contraception

          -  Asthma for at least 6 months, FEV1 (forced expiratory volume in 1 second) between
             50-80% of predicted value, and reversibility greater than or equal to 15% following
             180 mcg albuterol

          -  Stable low dose of Inhaled Corticosteroids

          -  Non-smoker, 12 months smoking-free and <=10-pack years history

          -  Otherwise healthy

          -  Other criteria apply

        Exclusion Criteria:

          -  Pregnant

          -  Allergic to albuterol or severe milk protein allergy

          -  Must not be on another trial for 30days.

          -  Other criteria apply
Clinical trial NCT01300052 (phase 2, status: completed)
Conditions: psoriasis
ICD codes: L40.0, L40.4, L40.8, L40.9, L40.1, L40.50
Drugs: an2728 ointment, 2%, ointment vehicle
SMILES: CC1=CC(O)=CC(C)=C1Cl
Eligibility criteria:

        Inclusion Criteria:

          -  Clinical diagnosis of stable mild-to-moderate plaque-type psoriasis involving 2-35% of
             total body surface area (BSA) excluding face, scalp, and genitals

          -  Willingness and ability to apply study medication as directed, comply with study
             instructions, and commit to attending all study visits

          -  Women of childbearing potential must agree to use contraception for the entire study
             period

        Exclusion Criteria:

          -  Any dermatological conditions that could interfere with clinical evaluations

          -  Concurrent or recent use of certain topical or systemic medications without a
             sufficient washout period

          -  Significant confounding conditions as assessed by study doctor

          -  Participated in any other trial of an investigational drug within 30 days or
             participation in a research study concurrent with this study

          -  Use of lithium- or hydroxychloroquine-containing products (e.g., Plaquenil)

          -  Use of a beta-blocking medication (e.g., propranolol) if the dose has not been
             stabilized for at least 3 months

          -  Pregnancy or lactation
Clinical trial NCT00150592 (phase 2, status: completed)
Conditions: attention deficit disorder with hyperactivity
ICD codes: F90.2, F90.8, F90.9, F90.0, F90.1
Drugs: spd503 (guanfacine hcl), placebo
SMILES: NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Subjects with a primary diagnosis of ADHD

          -  Minimum baseline visit ADHD-RS-IV score of 24 and a baseline CGI-S score =>4

          -  Male or non-pregnant female subject who agrees to comply with any applicable
             contraceptive requirements

          -  Subject weighs > 55 lbs and is not morbidly overweight

        Exclusion Criteria:

          -  Subject has a comorbid psychiatric diagnosis (except ODD) with significant symptoms
             such as any severe comorbid Axis II disorders or severe Axis I disorders

          -  Subject has a history of seizure disorder

          -  Subject has any specific cardiac condition or family history of significant cardiac
             condition

          -  Subject is pregnant, lactating or within six month post-partum
Clinical trial NCT00639249 (phase 2, status: completed)
Conditions: ischemic stroke
ICD codes: I25.5, H47.013, H93.013, G45.9, H47.011, H47.012, H47.019
Drugs: placebo, sa4503 low, sa4503 high
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O, COC1=C(OC)C=C(CCN2CCN(CCCC3=CC=CC=C3)CC2)C=C1, COC1=C(OC)C=C(CCN2CCN(CCCC3=CC=CC=C3)CC2)C=C1
Eligibility criteria:

        Key Inclusion Criteria:

          -  Males or females 18 years of age or older

          -  Experienced a stroke from 48 to 72 hours before randomization

          -  A total score of >/=4 on the NIHSS, or >/=2 on the upper or lower extremity motor
             scores of the NIHSS

          -  Medically and neurologically stable within 24 hours prior to randomization

        Key Exclusion Criteria:

          -  Patients with transient ischemic attack

          -  Patients with stroke in progression

          -  Unstable cardiac, hepatic, or renal disease, or other major medical disorder
Clinical trial NCT01118325 (phase 2, status: completed)
Conditions: stable coronary artery disease
ICD codes: I25.84, I25.41, I25.42, Z98.61, Q24.5, T46.3X6S, I25.82
Drugs: ticagrelor, clopidogrel
SMILES: [H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl, N[C@@H](CCCNC(N)=N)C(O)=O
Eligibility criteria:

        Inclusion Criteria:

          -  Any Percutaneous Coronary Intervention, more than 3 months prior to randomization

          -  Previous documented acute coronary syndrome (ACS), more than 3 months prior to
             randomisation

          -  Treatment with ASA

        Exclusion Criteria:

          -  ACS, transient ischemic attack (TIA), or Stroke within the 3 months prior to
             randomisation

          -  Known concurrent disease of stroke or TIA with atrial fibrillation

          -  Persons who are being treated with blood clotting agents that cannot be stopped
Clinical trial NCT00308620 (phase 2/phase 3, status: terminated)
Conditions: hiv infections
ICD codes: Z21
Drugs: chloroquine phosphate, placebo
SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Reason stopped: 
    insufficient financial support; lack of efficacy for primary endpoint
  
Eligibility criteria:

        Inclusion Criteria:

          -  HIV-1 infected adults

          -  CD4 count > 250 cells/mm3

          -  Not presently receiving HIV antiretroviral therapy (> 6 months or naïve)

          -  Viral load > 3000 RNA copies/mL (3.5 log)

          -  No planned HIV anti-retroviral therapy for 8 weeks

        Exclusion Criteria:

          -  Prior retinal eye disease

          -  CD4 < 250 cells/µL

          -  Renal failure

          -  Active malignancy

          -  Corticosteroid therapy

          -  Age < 18 or > 65 years
Clinical trial NCT00709865 (phase 2/phase 3, status: completed)
Conditions: renal insufficiency, congestive heart failure
ICD codes: N25.0, Q61.4, N23, N26.9, P96.0, Q60.0, Q60.1, I50.20, I50.21, I50.22, I50.30, I50.31, I50.32, I50.40
Drugs: tonapofylline, placebo
SMILES: CCCN1C2=C(NC(=N2)C23CCC(CCC(O)=O)(CC2)CC3)C(=O)N(CCC)C1=O, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Previous diagnosis of heart failure.

          -  Must have ADHF, requiring hospitalization, with clinical evidence for volume overload

        Exclusion Criteria:

          -  History of an allergic reaction to any xanthine-containing substance.

          -  History of seizure

          -  History of stroke

          -  Myocardial infarction

          -  Uncorrected hemodynamically significant primary valvular disease or known Obstructive
             or restrictive cardiomyopathy.

          -  Serious systemic infection

          -  Major surgical procedures within 30 days

          -  Acute coronary syndrome

          -  Cardiogenic shock

          -  Baseline body weight >150 kg

          -  Participation in any other investigational study of drugs or devices within 30 days
             prior to Screening

          -  Nursing mothers, pregnant women, or women planning on becoming pregnant during the
             study

          -  Presence of any clinically significant condition that might interfere with optimal
             safe participation in this study
Clinical trial NCT00057993 (phase 2, status: withdrawn)
Conditions: breast cancer
ICD codes: C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60
Drugs: exemestane
SMILES: CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N
Reason stopped: 
    unable to accrue subjects to the study after 2 years - closed per request by data monitoring
    committee.
  
Eligibility criteria:

        DISEASE CHARACTERISTICS:

          -  Histologically confirmed breast cancer

               -  Stage IV or locally advanced disease

                    -  Staged by bone scan or CT scan of chest and/or abdomen within the past 6
                       weeks

          -  HER2/neu positive by fluorescent in situ hybridization (if 2+ by immunohistochemistry)
             or 3+ by immunohistochemistry

          -  Measurable disease defined by 1 of the following criteria:

               -  At least 1 dimension at least 1 cm by CT scan or other imaging scan

               -  At least 1 diameter at least 1 cm by plain x-ray (excluding bone lesions)

               -  Palpable lesion with both diameters at least 1 cm with caliper OR

          -  Evaluable disease defined by 1 of the following criteria:

               -  Positive bone scan

               -  Palpable masses with diameter less than 1 cm, masses with margins not clearly
                  defined on CT scan or x-ray, or with both diameters less than 1 cm

               -  Bone scan and CA 27.29 if bone scan only evaluable disease

          -  Hormone receptor status:

               -  Estrogen receptor and/or progesterone receptor positive

        PATIENT CHARACTERISTICS:

        Age

          -  18 and over

        Sex

          -  Female

        Menopausal status

          -  Postmenopausal by 1 of the following criteria:

               -  60 years of age and over

               -  45 years of age and over with amenorrhea more than 12 months and an intact uterus

               -  Follicle-stimulating hormone levels within postmenopausal range

               -  Undergone bilateral oophorectomy

        Performance status

          -  ECOG 0-2

        Life expectancy

          -  Not specified

        Hematopoietic

          -  Not specified

        Hepatic

          -  Bilirubin less than 1.5 times upper limit of normal

        Renal

          -  Creatinine less than 2 mg/dL

        Cardiovascular

          -  Ejection fraction greater than 50%

        Other

          -  Not pregnant or nursing

        PRIOR CONCURRENT THERAPY:

        Biologic therapy

          -  No prior trastuzumab (Herceptin)

        Chemotherapy

          -  Prior chemotherapy allowed

        Endocrine therapy

          -  No prior exemestane

          -  No other prior hormonal agent (except tamoxifen)

        Radiotherapy

          -  Not specified

        Surgery

          -  Not specified
Clinical trial NCT00771602 (phase 2, status: terminated)
Conditions: chronic lymphocytic leukemia, leukemia
ICD codes: C91.11, C91.12, C91.10, C95.91, C95.92, Z80.6, Z85.6, C90.11, C90.12, C91.01
Drugs: rituximab, alemtuzumab
SMILES: ClCCN(CCCl)P1(=O)NCCCO1, N[C@@H](CCCNC(N)=N)C(O)=O
Reason stopped: 
    lack of accrual.
  
Eligibility criteria:

        Inclusion Criteria:

          -  Patients with CLL, CLL/prolymphocytic leukemia (PLL), or Small Lymphocytic Lymphoma
             (SLL) who have achieved an National Cancer Institute-Working Group (NCI-WG) nodular
             partial (nPR) or complete response (CR) with documentation of residual disease by MRD
             flow cytometry following chemotherapy or chemoimmunotherapy.

          -  Patients with CLL, CLL/PLL, or SLL who have achieved an NCI-WG partial response (PR)
             following prior chemotherapy or chemoimmunotherapy.

          -  Age >/=18 years.

          -  ECOG performance status </=2.

          -  Serum creatinine </= 2 mg/dL; serum total bilirubin </= 2 mg/dL; serum AST or ALT <4 x
             ULN.

          -  Signed informed consent.

          -  Male and female patients who are fertile agree to use an effective barrier method of
             birth control (ie, latex condom, diaphragm, cervical cap, etc.) to avoid pregnancy.
             Female patients of childbearing potential (non-childbearing is defined as >/= 1 year
             post-menopausal or surgically sterilized) need a negative serum or urine pregnancy
             test within 14 days of study enrollment.

        Exclusion Criteria:

          -  Past history of anaphylaxis following exposure to rat or mouse derived complementarity
             determining region (CDR)-grafted humanized monoclonal antibodies.

          -  Hormonal therapy within 2 weeks prior to study start. Hormonal replacement therapy is
             permitted.

          -  Active Hepatitis B (at least one of the following markers positive: HBsAg, HBeAg, IgM
             anti-HBc, HBV DNA).

          -  Previous treatment with alemtuzumab plus rituximab in combination.

          -  Pregnant or nursing women.

          -  History of HIV infection.

          -  Active uncontrolled infection (defined as exhibiting ongoing signs/symptoms related to
             the infection and without improvement, despite appropriate antibiotics or other
             treatment).

          -  Less than 6 months from the completion of prior chemotherapy or chemoimmunotherapy.
             Completion of prior chemoimmunotherapy is defined as the last day of therapy of the
             respective treatment regimen.

          -  Symptomatic CNS disease.
Clinical trial NCT00365183 (phase 2, status: terminated)
Conditions: non-small cell lung carcinoma
ICD codes: D02.20, D02.21, D02.22
Drugs: motexafin gadolinium and pemetrexed
SMILES: [Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C(CC)/C2=C/C3=N/C(=C\N=C4/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/4=N\C=C4/N=C(/C=C\1\[N-]\2)C(CCCO)=C4C)/C(C)=C3CCCO
Eligibility criteria:

        Inclusion Criteria:

          -  18 years or older

          -  Stage IIIb, metastatic, or recurrent NSCLC patients who have received one prior
             platinum-based chemotherapy regimen

          -  ECOG performance status score of 0 or 1

        Exclusion Criteria:

          -  Laboratory values indicating inadequate function of bone marrow, liver, or kidneys

          -  Symptomatic or uncontrolled brain metastases

          -  Evidence of meningeal metastasis

          -  > 1 prior regimen (not counting adjuvant or neo-adjuvant cytotoxic chemotherapy if
             completed > 12 months prior to regiment)

          -  Medical condition that would increase risk if treated with motexafin gadolinium or
             impair ability to complete study procedures and assessments
Clinical trial NCT01221298 (phase 2, status: completed)
Conditions: hepatitis c, hcv, chronic hepatitis c infection, hepatitis c genotype 1
ICD codes: B18.2, B17.10, B17.11, B19.20, B19.21, B15.0, B15.9, B00.81, B25.1, B26.81, B58.1, K75.4, A51.45, B17.2, B00.81, B25.1, B26.81, B58.1, K75.4, A51.45, B17.2
Drugs: abt-450, abt-072, ribavirin, ritonavir
SMILES: [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)C1=CN=C(C)C=N1)OC1=NC2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)NS(=O)(=O)C1CC1, NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O, CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1
Eligibility criteria:

        Inclusion Criteria:

          -  Chronic hepatitis C, genotype 1 infection with interleukin 28B (IL28B) rs12979860
             genotype C/C.

          -  Liver biopsy within 3 years with histology consistent with hepatitis C virus (HCV) -
             induced liver damage, with no evidence of cirrhosis or liver pathology due to any
             cause other than chronic HCV.

          -  Treatment naïve male or female between the ages of 18 and 65.

          -  Females must be postmenopausal for at least 2 years or surgically sterile.

          -  Be in a condition of general good health, as perceived by the investigator, other than
             hepatitis C virus infection.

          -  Body mass index 18 to < 35 kg/m^2 .

        Exclusion Criteria:

          -  Significant sensitivity to any drug.

          -  Use of herbal supplements within 2 weeks prior to study drug dosing.

          -  Positive screen for certain drugs or alcohol.

          -  Positive hepatitis B surface antigen or anti-human immunodeficiency virus (HIV)
             antibody.

          -  Use of strong cytochrome P450 3A (CYP3A), cytochrome P450 2C8 (CYP2C8), and organic
             anion transporting polypeptide 1B1 (OATP1B1) enzyme inducers or inhibitors within 1
             month of dosing.

          -  Prior treatment with any investigational or commercially available anti-hepatitis C
             virus agents.

          -  Abnormal laboratory tests.

          -  Cirrhosis or extensive bridging fibrosis.

          -  History of cardiac disease.
Clinical trial NCT00476151 (phase 2, status: completed)
Conditions: diabetic peripheral neuropathy, neuralgia
ICD codes: A18.2, H11.043, H11.053, H18.463, H35.40, H81.393, I73.9, G50.0, M54.81, B02.22, M79.2
Drugs: epicept np-1 (4% amitriptyline/ 2% ketamine) topical cream, placebo cream
SMILES: CC1=CC(=C(NCCCN)C=C1)[N+]([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:

          -  Adult patients with chronic pain due to diabetic peripheral neuropathy (DPN) of at
             least 6 months duration are eligible if they have an average daily pain score of > 4
             during the baseline week.

        Exclusion Criteria:

          -  Clinically significant intercurrent illness (e.g., endocrine, cardiac, hepatic, renal,
             neurologic, hematologic, skeletal) that the investigator determines could interfere
             with the efficacy or safety assessments in this study
Clinical trial NCT01183169 (phase 2, status: completed)
Conditions: hepatitis c
ICD codes: B18.2, B17.10, B17.11, B19.20, B19.21, B15.0, B15.9
Drugs: alisporivir, peginterferon alfa-2a, ribavirin, placebo
SMILES: CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C, NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O, NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion criteria:

          -  Chronic HCV genotype 1 viral infection

          -  HCV RNA ≥ 1,000 IU/ml assessed by quantitative polymerase chain reaction (qPCR) or
             equivalent at screening

          -  Previous non-responders/relapsers to PEG and RBV after treatment for at least 12 weeks

        Exclusion criteria:

          -  Treatment with any anti-HCV drug (whether approved or investigational) within 3 months
             prior to screening

          -  Women of child-bearing potential unless using highly effective

          -  Any other cause of relevant liver disease other than HCV

          -  Other protocol-defined inclusion/exclusion criteria may apply
Clinical trial NCT00673127 (phase 2, status: completed)
Conditions: prostate cancer
ICD codes: C61, D29.1, D40.0, Z15.03, Z80.42, Z85.46, Z12.5
Drugs: ketoconazole, hydrocortisone and dutasteride
SMILES: CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically documented evidence of prostate cancer (needle biopsy or
             prostatectomy). In the abscence of histologically documented evidence of prostate
             cancer, the diagnosis must be based on elevated serum PSA and metastatic lesions on
             bone scan.

          -  Progressive HRPC defined as a PSA increase over baseline of >25% or 5ng/ml or new
             lesions on bone/CT scan after conventional androgen deprivation and antiandrogen
             withdrawal. Evidence of metastatic disease based on positive CT or bone scan is not
             required.

          -  PSA of greater than or equal to 2ng/ml and serum total testosterone less than or equal
             to 50ng/ml

          -  Prior chemotherapy is permitted if discontinued > 4 weeks prior to starting therapy

          -  Prior therapy with estrogens is permitted but must have been discontinued > 4 weeks
             prior to registration

          -  ECOG Performance Status 0-2

          -  Adequate renal function, hepatic function, and bone marrow function as outlined in
             protocol

          -  ECG showing a normal QT interval

        Exclusion Criteria:

          -  Prior therapy with ketoconazole or corticosteroids for HRPC

          -  Major surgery or radiation therapy within 4 weeks

          -  Strontium-89 or samarium-153 therapy within 4 weeks

          -  Thromboembolism in past 6 months

          -  Patients who are taking drugs that may further prolong QT intervals and present a
             known risk for Torsades de Pointes.

          -  Concomitant use of drugs known to be narrow therapeutic index CTP3A4

          -  Drugs that are sensitive CYP3A4 substrates

          -  Alcohol or drug dependence currently or in the last 6 months