smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Cl)cc(Cl)c2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000012402065	525231976	/nfs/dbraw/zinc/23/19/76/525231976.db2.gz	WBWVRQXTMKZDIX-YYQBIWNASA-N	0	2	435.263	2.992	2	10		IFCFLN
Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cc([N+](=O)[O-])c4cccnc4c3[O-])CC2)cc1	ZINC000045352798	563132347	/nfs/dbraw/zinc/13/23/47/563132347.db2.gz	QMCZMSFBUZEHAX-UHFFFAOYSA-N	0	2	442.497	2.664	1	10		IFCFLN
CS(=O)(=O)Cc1c(Br)c(O)c(O)c(Br)c1Br	ZINC000028707383	563062073	/nfs/dbraw/zinc/06/20/73/563062073.db2.gz	UQYHDNQXPJKICE-UHFFFAOYSA-N	0	2	438.919	2.930	1	10		IFCFLN
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Cl)cc(Cl)c2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000012402066	525819442	/nfs/dbraw/zinc/81/94/42/525819442.db2.gz	WBWVRQXTMKZDIX-VPCSNGCSSA-N	0	2	435.263	2.992	2	10		IFCFLN
Nc1ccc(C(=O)Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)c(O)c2)cc1O	ZINC000073223489	563170852	/nfs/dbraw/zinc/17/08/52/563170852.db2.gz	NUXVWECZIODHRU-UHFFFAOYSA-N	0	2	437.360	2.789	1	10		IFCFLN
Nc1cc(C(=O)Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)c(O)c2)ccc1O	ZINC000073240849	563171331	/nfs/dbraw/zinc/17/13/31/563171331.db2.gz	HKABVAZPZRSPQV-UHFFFAOYSA-N	0	2	437.360	2.789	1	10		IFCFLN