araag2/HINT huggingface dataset:
Clinical trial NCT02563106 (phase 2, status: completed)
Conditions: clostridium difficile, clostridium infections
ICD codes: A04.71, A04.72, A05.2, A04.71, A04.72, B96.7
Drugs: syn-004, placebo
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Expected minimum hospital stay of 5 days

          -  Expected ≥5 day course of intravenous (IV) ceftriaxone alone or in combination with a
             macrolide

          -  Clinical diagnosis of moderate to severe lower respiratory tract infection consisting
             of signs and symptoms of a lower respiratory tract infection and Pneumonia Severity
             Index (PSI/PORT) score for CAP of 90-130, inclusive. Evidence of a new or progressive
             infiltrate on chest x-ray is recommended.

        Exclusion Criteria:

          -  Presence of a diarrheal illness within 72 hours prior to randomization

          -  Current treatment for CDAD or ongoing active CDI, as evidenced by clinical signs of
             diarrhea along with the presence of toxin A and/or B (or their respective genes, tcdA
             and/or tcdB) of C. difficile in the stool

          -  Number of previous CDAD episodes >1 within 12 weeks of randomization and no C.
             difficile infection (CDI) within 4 weeks of randomization

          -  Use of antibiotics within 1 month of start of study drug except for the current
             illness.
Clinical trial NCT02565810 (phase 2, status: completed)
Conditions: rheumatoid arthritis
ICD codes: M06.9, M05.9, M06.08, M06.00, M06.011, M06.012, M06.019
Drugs: adalimumab pfs and pen
SMILES: O
Eligibility criteria:

        Inclusion Criteria:

          1. Are male or female aged 18-55 years at the time of signing the informed consent form.

          2. Have been diagnosed as having RA according to the revised 1987 American College of
             Rheumatology (ACR) criteria for at least 6 months prior to Screening.

          3. Subjects who are considered by the Investigator to be a suitable candidate for
             self-administering adalimumab treatment

          4. Must be able to provide informed consent, which must be obtained prior to any study
             related procedures.

        Exclusion Criteria:

          1. Have been treated previously with any biologic agents including any tumour necrosis
             factor inhibitor.

          2. Have a known hypersensitivity to human immunoglobulin proteins or other components of
             SB5.

          3. Have a current diagnosis of active tuberculosis (TB), have been recently exposed to a
             person with active TB, or are considered to have latent TB indicated by a positive
             QuantiFERON® Gold test result.

          4. Have had a serious infection (such as sepsis, abscess, opportunistic infections or
             invasive fungal infection including histoplasmosis) or have been treated with
             intravenous antibiotics for an infection within 8 weeks or oral antibiotics within 2
             weeks prior to first dose of IP. Nonsignificant infections do not need to be
             considered exclusionary at the discretion of the Investigator.

          5. Have a history of chronic or recurrent infection (such as chronic renal infection,
             chronic chest infection or recurrent urinary infection).

          6. Have any of the following conditions:

               1. History of congestive heart failure (New York Heart Association Class III/IV)

               2. History of demyelinating disorders (such as multiple sclerosis or Guillain-Barré
                  syndrome).

               3. History of any malignancy (other than lymphoproliferative disease and melanoma,
                  see Exclusion Criteria 10.f) within the previous 5 years prior to Screening
                  except completely excised and cured squamous carcinoma of the uterine cervix,
                  cutaneous basal cell carcinoma, or cutaneous squamous cell carcinoma.

               4. History of lymphoproliferative disease including lymphoma or melanoma.

               5. Any other disease or disorder which, in the opinion of the Investigator, will put
                  the subject at risk if they are enrolled.
Clinical trial NCT02568839 (phase 2/phase 3, status: active, not recruiting)
Conditions: early-stage breast carcinoma, her-2 positive breast cancer
ICD codes: C22.0, C22.1, C4A.9, C7B.1, D09.9, C4A.0, C4A.31, C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60
Drugs: docetaxel + trastuzumab sc + pertuzumab, trastuzumab emtansin
SMILES: [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1, [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Eligibility criteria:

        Inclusion Criteria:

          1. Written informed consent

          2. Patients with breast cancer confirmed by histology, characterized by
             immunohistochemistry for ER, PR, HER2 and proliferation marker

          3. Tumor and blood samples available. HER2 type confirmed by ISH

          4. Age 18 years or older. Elderly patients in condition adequate for planned therapy

          5. Primary breast cancer >20mm in diameter and/or verified lymph node metastases

          6. Adequate bone marrow, renal, hepatic and cardiac functions and no other uncontrolled
             medical or psychiatric disorders

          7. LVEF ≥55%

          8. ECOG performance status 0-1

          9. Primary breast cancer as defined in p. 5 plus at most 2 morphologically characterized
             well-defined distant metastases accessible for stereotactic radiotherapy, provided
             that this treatment is available

        Exclusion Criteria:

          1. Distant metastases, including node metastases in the contralateral thoracic region or
             in the mediastinum

          2. Other malignancy diagnosed within the last five years, except for radically treated
             basal or squamous cell carcinoma of the skin or CIS of the cervix

          3. Patients in child-bearing age without adequate contraception

          4. Pregnancy or lactation

          5. Uncontrolled hypertension, heart, liver, kidney related or other medical or
             psychiatric disorders
Clinical trial NCT02572947 (phase 2, status: completed)
Conditions: human immunodeficiency virus, dolutegravir, monotherapy, treatment efficacy
ICD codes: B20, Z71.7, O98.72, Z21, O98.73, R75, Z11.4
Drugs: dolutegravir
SMILES: N[C@@H](CO)C(O)=O
Eligibility criteria:

        Inclusion Criteria:

          -  HIV-1 infection;

          -  Patient included in the Swiss HIV Cohort Study (SHCS);

          -  ≥ 18 years of age;

          -  Virologically suppressed for at least 24 months on first line triple ART (changes for
             toxicity permitted) with at least 4 HIV-1 RNA measurements in plasma <50 copies/ml;

          -  No history of previous failure on ART;

          -  No documented antiretroviral drugs resistance;

          -  No co-infection with Hepatitis B or C virus;

          -  Effective contraception in women;

          -  Willing to provide CSF and semen samples;

          -  Written informed consent

        Exclusion Criteria:

          -  HIV-2 infection;

          -  Renal dysfunction (creatinine clearance <50ml/min);

          -  aspartate transaminase or alanine aminotransferase >5x upper limit normal;

          -  Concomitant use of carbamazepine, oxcarbazepine, phenytoin, phenobarbital, St John's
             wort, rifampicin or metformin;

          -  Previous AIDS defining conditions or active malignancy in the past five years;

          -  Positive HIV viral load in CSF at baseline;

          -  Known or suspected non-compliance;

          -  Women who are pregnant or breastfeeding.
Clinical trial NCT02573935 (phase 2, status: terminated)
Conditions: multiple myeloma
ICD codes: C90.01, C90.02, C90.00
Drugs: clarithromycin, placebo, vcd induction therapy
SMILES: [H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)CC)[C@@H](C)O)[C@@H](C)O, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Reason stopped: 
    suspected side effects to the combination of clarithromycin and vcd (bortezomib,
    cyclophosphamide and dexamethasone)
  
Eligibility criteria:

        Inclusion Criteria:

          -  Myeloma diagnosis according to IMWG criteria

          -  Treatment demanding disease

          -  High-dose melphalan with stem cell support scheduled as a part of the treatment

          -  Signed informed consent given prior to any study related activities

          -  Age > 18 years

        Exclusion Criteria:

          -  Allogeneic transplantation scheduled as a part of the treatment

          -  Myeloma treatment prior to entry in the study, except radiotherapy,
             bisphosphonates/denosumab or corticosteroids for symptom control

          -  Concurrent disease making clarithromycin treatment unsuitable

          -  Positive pregnancy test (only applicable for women with childbearing potential)

          -  Known or suspected hypersensitivity or intolerance to clarithromycin

          -  Prolonged QT corrected (QTc) interval ( > 500 msec on screening ECG)

          -  Concurrent treatment with cabergoline, fluconazole, ketoconazole, pimozide,
             quetiapine, sirolimus, verapamil, tacrolimus, ergot alkaloid, simvastatin or other
             statins

          -  Uncontrolled or severe cardiovascular disease including myocardial infarction within 6
             months of enrolment, uncontrolled angina or known cardiac amyloidosis

          -  Severe renal dysfunction (estimated creatinine clearance <10 mL/min)

          -  Serious medical or psychiatric illness which, in the judgment of the investigator,
             would make the patient inappropriate for entry into the study
Clinical trial NCT02574637 (phase 2, status: terminated)
Conditions: crohn's disease
ICD codes: K50.90, K50.913, K50.914, K50.911, K50.912, K50.918, K50.919
Drugs: brazikumab iv infusion, brazikumab sc injection, placebo
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Reason stopped: 
    study was terminated for business reasons; not due to safety or efficacy concerns.
  
Eligibility criteria:

        Inclusion Criteria:

          -  Diagnosis of ileal, ileo-colonic, or colonic Crohn's Disease (CD) for > 3 months prior
             to screening

          -  Men or women age 18 - 80 years at the time of screening

          -  Moderate to severely active CD, as defined by Crohn's Disease Activity Index (CDAI)
             and endoscopic demonstration of inflammation

          -  Stable dose of medications for Crohn's disease therapy

          -  Prior treatment failure or intolerance with at least one Anti-Tumor Necrosis
             Factor-Alpha Therapy (anti-TNF α) agent

          -  Effective contraception from screening, and for 36 weeks after the last dose of
             investigational product

          -  No known history of active tuberculosis (TB) & negative assessment for TB/latent TB

        Exclusion Criteria:

          -  Severe underlying immunosuppression

          -  Severe gastrointestinal complications; e.g., short bowel syndromes, obstructing
             strictures, recent or planned bowel surgery, Ileostomy and/or colostomy, recent bowel
             perforation

          -  Significant infections at screening; Infected abscess, positive for Clostridium
             difficile, recent infectious hospitalization

          -  Recent treatment with approved or investigational biologic therapy for Crohn's disease

          -  Recent or planned live attenuated vaccine

          -  History of cancer, except for basal cell carcinoma or carcinoma in situ (CIS) of the
             cervix with apparent cure ≥ 12 months before screening

          -  Pregnancy/breast feeding

          -  Drug abuse
Clinical trial NCT02576639 (phase 2, status: completed)
Conditions: alzheimer's disease
ICD codes: G30.8, G30.9, G30.0, G30.1
Drugs: cnp520, placebo
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Key Inclusion Criteria:

          -  Healthy status

          -  Body weight: ≥45kg

          -  BMI: 18-34 kg/m2

        Key Exclusion Criteria:

          -  History or presence of any clinically significant disease of any major system organ
             class.

          -  Heavy smoker status

          -  History /presence of clinically significant neurological or psychiatric disorders

          -  Any medical condition that might lead to or is associated with any cognitive deficit

          -  History or presence of severely impaired renal function
Clinical trial NCT02576938 (phase 2, status: completed)
Conditions: atopic dermatitis
ICD codes: L20.89, L20.9
Drugs: baricitinib, placebo, triamcinolone (optional)
SMILES: CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O, [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Eligibility criteria:

        Inclusion Criteria:

          -  Have moderate-to-severe Atopic Dermatitis (AD), as determined by all of the following:

               1. EASI of 12 or more

               2. Greater than or equal to 10% of body surface area involvement

               3. Diagnosed with AD at least 2 years prior

          -  Have a history of inadequate clinical response to other eczema treatments

        Exclusion Criteria:

          -  Females who are pregnant or nursing

          -  Participants who do not agree to use adequate contraception

          -  Are currently experiencing or have a history of:

               -  Skin conditions such as psoriasis or lupus erythematosus

               -  Skin disease that requires frequent hospitalizations or intravenous treatment

               -  Compromised immunity

          -  Serious illness that could interfere with study participation, or a clinically
             important deviation in physical examination, vital sign measurements,
             electrocardiograms, or abnormalities on laboratory tests

          -  Currently experiencing or have a history of:

               -  Active or latent Tuberculosis or specific immunity disorders and infections

               -  Malignancy or lymphoproliferative diseases in the last 5 years (or cervical,
                  basal or squamous skin cancer re-occurrence in the last 3 years)

               -  Human Immunodeficiency Virus (HIV)

               -  Hepatitis B, Hepatitis C, or chronic liver disease

          -  Have received certain types of vaccinations
Clinical trial NCT02579057 (phase 2/phase 3, status: completed)
Conditions: congestive heart failure
ICD codes: I50.20, I50.21, I50.22, I50.30, I50.31, I50.32, I50.40
Drugs: furosemide injection solution (scp-101), furosemide injection solution, usp
SMILES: NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O, NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O
Eligibility criteria:

        Inclusion Criteria:

          -  An Institutional Review Board (IRB) approved informed consent is signed and dated
             prior to any study-related activities.

          -  Male and female subjects > 18 years of age

          -  History of at least 3 months treated heart failure (NYHA class II/III/IV), or recent
             hospitalization for heart failure; presenting to Heart Failure Bridge Clinic (HFBC)
             with decompensated heart failure symptoms including elevated jugular venous pressure,
             dyspnea and peripheral edema where the decision is made to give IV diuretics

          -  Able to participate in the study in the opinion of the investigator

          -  Has the ability to understand the requirements of the study and is willing to comply
             with all study procedures

        Exclusion Criteria:

          -  Presenting with symptoms where it is anticipated that there is a high chance of
             hospitalization such as ischemia, uncontrolled arrhythmia, infection, hemodynamic
             instability (elevated or low blood pressure), respiratory compromise, or electrolyte
             abnormalities (>25% increase in creatinine from baseline, potassium, hyponatremia).

          -  On experimental medication or currently participating in a cardiovascular research
             study.

          -  Presence or need for urinary catheterization, urinary tract abnormality or disorder
             interfering with urination

          -  Any surgical or medical condition which in the opinion of the investigator may
             interfere with participation in the study or which may affect the outcome of the study

          -  Inability to comply with study requirements
Clinical trial NCT02579382 (phase 2, status: completed)
Conditions: chronic hepatitis b
ICD codes: B18.0, B18.1, B18.2, B18.8, B18.9
Drugs: tdf, vesatolimod, placebo
SMILES: [H][C@@](C)(CN1C=NC2=C(N)N=CN=C12)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C, CCCCOC1=NC(N)=C2NC(=O)CN(CC3=CC=CC(CN4CCCC4)=C3)C2=N1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Key Inclusion Criteria:

          -  Adult males or females between the ages of 18-65

          -  Chronic hepatitis B virus (HBV) infection

          -  HBV deoxyribonucleic acid (DNA ) ≥ 2000 IU/mL at screening

        Key Exclusion Criteria:

          -  Extensive bridging fibrosis or cirrhosis

          -  Received oral antiviral treatment for HBV or prolonged therapy with immune-modulators
             or biologics within 3 months of screening

          -  Co-infection with hepatitis C virus (HCV), human immunodeficiency virus (HIV) or
             hepatitis D virus (HDV)

          -  Chronic liver disease other than HBV

          -  Lactating or pregnant females or those that wish to become pregnant during the course
             of the study

        Note: Other protocol defined Inclusion/Exclusion criteria may apply.
Clinical trial NCT02581865 (phase 2, status: completed)
Conditions: tourette syndrome
ICD codes: F95.2
Drugs: nbi-98854, placebo
SMILES: COC1=C(OC)C=C2[C@H]3C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN3CCC2=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. Have a clinical diagnosis of Tourette Syndrome (TS)

          2. Have at least moderate tic severity

          3. Have TS symptoms that impair school, occupational, and/or social function

          4. If using maintenance medication(s) for TS or TS spectrum diagnoses (e.g.
             obsessive-compulsive disorder [OCD], Attention-Deficit Hyperactivity Disorder [ADHD]),
             be on stable doses

          5. Be in good general health

          6. Have a negative urine drug screen for amphetamines, barbiturates, benzodiazepine,
             phencyclidine, cocaine, or opiates, and a negative alcohol screen

          7. Subjects of childbearing potential who do not practice total abstinence must agree to
             use hormonal or two forms of nonhormonal contraception (dual contraception)
             consistently during the screening, treatment and follow-up periods of the study

        Exclusion Criteria:

          1. Have an active, clinically significant unstable medical condition within 1 month prior
             to screening

          2. Have a known history of long QT syndrome or cardiac tachy-arrhythmia

          3. Have a known history of neuroleptic malignant syndrome

          4. Have a cancer diagnosis within 3 years prior to screening (some exceptions allowed)

          5. Have an allergy, hypersensitivity, or intolerance to VMAT2 inhibitors

          6. Have a known history of substance dependence, substance (drug) or alcohol abuse

          7. Have a significant risk of suicidal or violent behavior

          8. Are currently pregnant or breastfeeding

          9. Have initiated Comprehensive Behavioral Intervention for Tics (CBIT) during the
             screening period or at baseline or plan to initiate CBIT during the study

         10. Have received an investigational drug within 30 days before screening or plan to use
             an investigational drug (other than NBI-98854) during the study

         11. Have a blood loss ≥550 mL or donated blood within 30 days prior to screening
Clinical trial NCT02583919 (phase 2, status: completed)
Conditions: type 2 diabetes
ICD codes: E11.65, E11.9, E11.21, E11.36, E11.41, E11.42, E11.44
Drugs: isis-gcgrrx- dose level 1, isis-gcgrrx- dose level 2, placebo
SMILES: 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, age 18 to 75

          -  BMI ≥ 25.0 kg/m2

          -  HbA1c ≥ 8.0% and ≤ 10.5%

          -  Type 2 Diabetes Mellitus and on stable dose of Metformin

          -  Agree to conduct home-based (fasted) blood glucose testing as directed

        Exclusion Criteria:

          -  Clinically significant abnormalities in medical history of physical exam

          -  Show evidence of uncorrected hypothyroidism or hyperthyroidism hormone results

          -  History of solid organ transplant or renal dialysis

          -  History of liver disease

          -  History of greater than 3 episodes of severe hypoglycemia within 6 months of screening

          -  Treatment with any other antidiabetic drug(s) other than metformin within 3 months of
             screening

          -  History of diabetic ketoacidosis

          -  Any other significant illness or condition that may interfere with the patient
             participating or completing the study

          -  Inability or unwillingness to comply with protocol or study procedures
Clinical trial NCT02586350 (phase 2/phase 3, status: completed)
Conditions: medullary thyroid carcinoma
ICD codes: C22.0, C22.1, C4A.9, C7B.1, D09.9, C4A.0, C4A.31
Drugs: anlotinib, placebo
SMILES: [H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[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:

          1. Signed and dated informed consent

          2. Histological documentation of medullary thyroid carcinoma(MTC),Unable to surgery(Stage
             IV) or metastasis ,With measurable disease (using RECIST1.1)

          3. ECOG PS:0-1,Life expectancy of more than 6 months

          4. main organs function is normal

        Exclusion Criteria:

          1. Prior treatment with Anlotinib or VEGFR-targeted therapies(such as
             Vandetanib,Cabozantinib,Lenvatinib,Sunitinib,Sorafenib etc.)

          2. Subjects received radiotherapy external exposure within 3 months prior to the first
             dose of study drug or plan to be received any anti-cancer treatment during study

          3. Patients suffering from other malignancies currently or within 5 years, except for
             cured cervical carcinoma in situ, non-melanoma skin cancers and superficial bladder
             cancer [ Ta (non-invasive carcinoma), Tis (carcinoma in situ) and T1 (carcinoma
             invasion into lamina propria) ]

          4. CTCAE(4.0) Grade 1 or higher non-remission toxicity induced by any other previous
             treatments，excluding alopecia and Grade 2 or lower neurotoxicity induced by
             oxaliplatin

          5. Patients with factors that could affect oral medication (such as dysphagia etc.)

          6. Patients with pleural effusion or ascites, causing respiratory syndrome (CTCAE Grade 2
             or higher dyspnea [Grade 2 dyspnea refers to Shortness of breath with a small amount
             of activities, affecting Instrumental activities of daily life])

          7. Patients underwent major surgical treatment，open biopsy or significant traumatic
             injury within 28 days prior to assignment