fix column names

README.md

@@ -1,32 +1,32 @@
 ---
+language:
+- en
+license: cc-by-nc-sa-4.0
+size_categories:
+- 100K<n<1M
+pretty_name: CoconutDB SMILES to Formula Bitext Mining
 dataset_info:
   features:
-  - name: name
+  - name: formula
     dtype: string
-  - name: canonical_smiles
+  - name: smiles
     dtype: string
   splits:
   - name: test
     num_bytes: 65624656
     num_examples: 621631
-  download_size: 31899664
+  download_size: 31890909
   dataset_size: 65624656
 configs:
 - config_name: default
   data_files:
   - split: test
     path: data/test-*
-license: cc-by-nc-sa-4.0
-language:
-- en
 tags:
 - chemistry
 - coconutdb
 - SMILES
 - chemteb
-pretty_name: CoconutDB SMILES to Formula Bitext Mining
-size_categories:
-- 100K<n<1M
 ---
 # CoconutDB SMILES to Formula Bitext Mining
 This dataset consists of two lists: one containing both isomeric and canonical SMILES strings, and the other containing the corresponding molecular formulas of chemical entities, sourced from [CoconutDB](https://coconut.naturalproducts.net/). The primary task is to identify matching pairs between the SMILES strings and their molecular formulas. Each SMILES string from the first list should be accurately aligned with its corresponding molecular formula from the second list.

data/test-00000-of-00001.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:f49d6c73f368b4b34d14cfed686dc44d0e172bb0e787f6ca79a153f15d59ba75
-size 31899664
+oid sha256:cf1d16537aba75b98c20388d9685ca7a955da07068456cf31cd55a1e5b69f80b
+size 31890909