smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cn1ccc2c1=CC(=O)C(=O)C=2	199067177	RYECUDJBHMSWSI-UHFFFAOYSA-N	161.160	-1.262	10	20	AACD	
[N-]=[N+]=NC[C@@H]1O[C@H](O)[C@@H](O)[C@H]1O	306819031	FPNYNARZVKFPAC-FCAWWPLPSA-N	175.144	-1.264	10	20	AACD	
O=C1O[C@@H](CO)[C@@H](O)C(=O)C1=O	2386341086	DQPMCZRJCKWPGL-STHAYSLISA-N	174.108	-2.597	10	20	AACD	
OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=S	165674727	ABXYOVCSAGTJAC-FSIIMWSLSA-N	196.224	-2.578	10	20	AACD	
O=C1C=c2cc[nH]c2=CC1=O	1530228	IGGVVGHJSQSLFO-UHFFFAOYSA-N	147.133	-1.273	10	20	AACD	endogenous,in-man
O=C1C[C@@H](O)[C@H](O)[C@@H](O)C1=O	100068495	SHFQRUVRUBHHRE-CJPQEGFPSA-N	160.125	-2.389	10	20	AACD	in-vitro
O=C(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO	30725382	GJQWCDSAOUMKSE-STHAYSLISA-N	192.123	-3.077	10	20	AACD	endogenous,in-man
CN1NC(=O)CC1=O	116901140	JTPISCWESNJUEM-UHFFFAOYSA-N	114.104	-1.120	10	20	AACD	
[N-]=[N+]=NC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O	199511065	FPNYNARZVKFPAC-TXICZTDVSA-N	175.144	-1.264	10	20	AACD