#! /home/caleb/.anaconda3/bin/python

import sys

from pubchempy import get_compounds, Compound

arg = sys.argv[0:]

arg.pop(0)

for cid in arg:

cid = int(cid)

pc = Compound.from_cid(cid)

iupac_name = pc.iupac_name

if iupac_name == None:

iupac_name = ''

names = pc.synonyms

smi = pc.isomeric_smiles

inchi_val = pc.inchi

inchikey = pc.inchikey

mw = pc.molecular_weight

formula = pc.molecular_formula

CAS = ''

s = '%d\t%s\t%s\t%g\t%s\t%s\t%s\t%s\t' %(cid, CAS, formula, mw, smi, inchi_val, inchikey, iupac_name)

s += '\t'.join(names)

print(s)

#4 78-96-6 C3H9NO 75.10966 CC(CN)O C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 HXKKHQJGJAFBHI-UHFFFAOYSA-N 1-azanylpropan-2-ol 1-amino-2-propanol