smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](CO)NC=C1C(=O)NN=C1c1ccccc1	ZINC000072179101	176334435	/nfs/dbraw/zinc/33/44/35/176334435.db2.gz	HBRKDJPUEYIOMP-MBACFSSFSA-N	-1	0	275.264	-0.561	1	10		CBCFRM
[N-]=[N+]=N[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(=O)[O-]	ZINC000095577751	185010867	/nfs/dbraw/zinc/01/08/67/185010867.db2.gz	WSKNTBSWFINOLW-JHYUDYDFSA-N	-1	0	267.201	-0.412	1	10		CBCFRM
O=C([O-])[C@H](O)[C@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000014776978	560226201	/nfs/dbraw/zinc/22/62/01/560226201.db2.gz	UBEKSSIWKHCGBJ-DHAXOIOKSA-N	-1	0	298.247	-0.539	1	10	biogenic,in-vitro	CBCFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](C(=O)[O-])O2)c(=O)[nH]c1=O	ZINC000017222618	170730346	/nfs/dbraw/zinc/73/03/46/170730346.db2.gz	YPULTFJGCRVCPG-XVMARJQXSA-N	-1	0	281.228	-0.104	1	10		CBCFRM