smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c3oc4c([O-])cccc4c(=O)c13)[C@@H]1OC[C@@](C)(O)[C@@H]1O2	ZINC000014682350	211098235	/nfs/dbraw/zinc/09/82/35/211098235.db2.gz	ZDHCSGNLOGAREA-IPMKNSEASA-N	-1	1	356.330	2.244	1	5		FEBFMM
O=C(c1[n-]nc2c1C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O)c1ccccc1	ZINC000049109348	205168471	/nfs/dbraw/zinc/16/84/71/205168471.db2.gz	NZNNRDYLIVGMRW-UHFFFAOYSA-N	-1	1	362.301	2.350	1	5		FEBFMM
COc1cc(O)c2c(=O)c3cccc([O-])c3oc2c1CC[C@H](O)C(C)(C)O	ZINC000095913889	291051342	/nfs/dbraw/zinc/05/13/42/291051342.db2.gz	XETIWBSPMJOXJJ-HNNXBMFYSA-N	-1	1	374.389	2.430	1	5	biogenic,in-vitro	FEBFMM
COc1cc(OS(=O)(=O)[O-])c2c(cc(O)c3c(=O)cc(C)oc32)c1C	ZINC000013384042	291051692	/nfs/dbraw/zinc/05/16/92/291051692.db2.gz	LZZSHNAMCXXGGT-UHFFFAOYSA-N	-1	1	366.347	2.459	1	5	biogenic,in-vitro	FEBFMM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CN[C@H](CF)C3)cc1	ZINC000013581961	211040868	/nfs/dbraw/zinc/04/08/68/211040868.db2.gz	FWEQVNUHWLTAQJ-AWEZNQCLSA-N	-1	1	365.386	2.379	1	5		FEBFMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CN[C@H](CF)C3)c1	ZINC000013581972	220075966	/nfs/dbraw/zinc/07/59/66/220075966.db2.gz	YVBDFPWDLYAGPR-AWEZNQCLSA-N	-1	1	365.386	2.379	1	5		FEBFMM
Cc1onc(C(=O)[N-]c2sc3c(c2C(N)=O)CCCC3)c1[N+](=O)[O-]	ZINC000004937470	219626373	/nfs/dbraw/zinc/62/63/73/219626373.db2.gz	KWSMRTMQIZTIHV-UHFFFAOYSA-N	-1	1	350.356	2.183	3	5		FEBFMM