smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c([O-])ccc([N+](=O)[O-])c4C[C@H]3C[C@H]12	ZINC000011616917	555791895	/nfs/dbraw/zinc/79/18/95/555791895.db2.gz	PHMPSHIUYYLXKR-VLHFWVDLSA-N	-2	1	459.411	0.029	50	30		JCEAML
CC(C)[C@H](NC(=O)NCc1ccc(S(=O)(=O)N=C([O-])N[C@H](C(=O)[O-])C(C)C)cc1)C(=O)[O-]	ZINC000020503717	519819162	/nfs/dbraw/zinc/81/91/62/519819162.db2.gz	GIRZSOICQMUWHA-GJZGRUSLSA-N	-3	1	472.520	0.897	50	30		JCEAML
CC(C)[C@H](NC(=O)N=S(=O)([O-])c1ccc(CNC(=O)N[C@H](C(=O)[O-])C(C)C)cc1)C(=O)[O-]	ZINC000020503717	519819161	/nfs/dbraw/zinc/81/91/61/519819161.db2.gz	GIRZSOICQMUWHA-GJZGRUSLSA-N	-3	1	472.520	0.897	50	30		JCEAML
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c([O-])ccc([N+](=O)[O-])c4C[C@@H]3C[C@@H]12	ZINC000216008739	569877841	/nfs/dbraw/zinc/87/78/41/569877841.db2.gz	PHMPSHIUYYLXKR-JIENXNACSA-N	-2	1	459.411	0.029	50	30		JCEAML
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c([O-])ccc([N+](=O)[O-])c4C[C@@H]3C[C@H]12	ZINC000261361547	570167173	/nfs/dbraw/zinc/16/71/73/570167173.db2.gz	PHMPSHIUYYLXKR-IUROBOEJSA-N	-2	1	459.411	0.029	50	30		JCEAML