根据化合物CID列表一次性批量获取相应SMILES的方法

人生苦短，直接上码

import requests

# get SMILES
cids='216416,65028,2764'

url = 'https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/CanonicalSMILES,title/CSV'
headers = {"content-type":"application/x-www-form-urlencoded"}
data={"cid":cids}

res = requests.post(url,data=data,headers=headers)
print (res.text)

# write to csv
with open('result.csv', 'w', encoding='UTF8') as f:
    f.write(res.text)
    f.close