smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)[O-]	ZINC000020171713	171041308	/nfs/dbraw/zinc/04/13/08/171041308.db2.gz	HSLWETXTYUFAAR-MRVPVSSYSA-N	-1	2	296.279	2.130	50	5		CEBALM
CC[C@@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)[O-]	ZINC000020171711	171041385	/nfs/dbraw/zinc/04/13/85/171041385.db2.gz	HSLWETXTYUFAAR-QMMMGPOBSA-N	-1	2	296.279	2.130	50	5		CEBALM
O=c1cc([O-])c2ccc3c(O)cc(=O)c4ccc1c2c43	ZINC000110397754	540198109	/nfs/dbraw/zinc/19/81/09/540198109.db2.gz	WXAPAZYYOVHUBO-UHFFFAOYSA-N	-1	2	264.236	2.153	50	5		CEBALM
O=[N+]([O-])c1cc(Cl)c(O[P@](=O)([O-])O)c(Cl)c1	ZINC000002508187	361236470	/nfs/dbraw/zinc/23/64/70/361236470.db2.gz	OBFPUWKJCNIVNM-UHFFFAOYSA-N	-1	2	287.979	2.373	50	5		CEBALM
O=[N+]([O-])c1cc(Cl)c(O[P@@](=O)([O-])O)c(Cl)c1	ZINC000002508187	361236474	/nfs/dbraw/zinc/23/64/74/361236474.db2.gz	OBFPUWKJCNIVNM-UHFFFAOYSA-N	-1	2	287.979	2.373	50	5		CEBALM
O=C([O-])c1c2ccc(=O)cc-2oc2cc(O)ccc21	ZINC000005159057	304218104	/nfs/dbraw/zinc/21/81/04/304218104.db2.gz	PTMZIRSRGUUSAA-UHFFFAOYSA-N	-1	2	256.213	2.302	50	5		CEBALM