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-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3[C@H]3C=CC[C@H]32)c1	ZINC000012428651	526394347	/nfs/dbraw/zinc/39/43/47/526394347.db2.gz	GQICLGHDBAZQOY-WAOWUJCRSA-N	-2	0	448.504	3.802	2	10		IHCFRL
COc1ccc(CC(=O)[O-])cc1C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000084617526	563174444	/nfs/dbraw/zinc/17/44/44/563174444.db2.gz	MLAJCQYUIRABMM-UHFFFAOYSA-N	-2	0	439.489	3.663	1	10		IHCFRL
CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2Cl)C2=C(CO[P@@](=O)([O-])OC2)C1=O	ZINC000013861576	563012818	/nfs/dbraw/zinc/01/28/18/563012818.db2.gz	UYWSCLVIBVQUQC-ISLYRVAYSA-N	-2	0	449.765	3.558	1	10		IHCFRL
O=C([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3[C@H]3C=CC[C@@H]32)c1	ZINC000012428653	526394010	/nfs/dbraw/zinc/39/40/10/526394010.db2.gz	GQICLGHDBAZQOY-BBTUJRGHSA-N	-2	0	448.504	3.802	2	10		IHCFRL
O=c1oc2ccccc2c([O-])c1C(c1cccc(O)c1O)c1c([O-])c2ccccc2oc1=O	ZINC000040860958	563107999	/nfs/dbraw/zinc/10/79/99/563107999.db2.gz	CIZAHXSEBMUOAJ-UHFFFAOYSA-N	-2	0	444.395	3.902	1	10		IHCFRL