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=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)[O-])c1[C@H](OC)O2	ZINC000040935249	205075234	/nfs/dbraw/zinc/07/52/34/205075234.db2.gz	ZORZPKUBRKXKSU-SHCNBLLESA-N	-2	0	376.317	2.495	1	10		GECFRL
C[C@@](Cc1ccc(O)c(O)c1)(C(=O)[O-])[C@](C)(Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000029233532	581094711	/nfs/dbraw/zinc/09/47/11/581094711.db2.gz	LNCLEGULBFWCRV-WOJBJXKFSA-N	-2	0	390.388	2.476	1	10		GECFRL
C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])[C@](C)(Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000029233518	207357619	/nfs/dbraw/zinc/35/76/19/207357619.db2.gz	LNCLEGULBFWCRV-BGYRXZFFSA-N	-2	0	390.388	2.476	1	10		GECFRL
O=C([O-])CN1C(=O)S/C(=C\c2ccc(-c3ccc(O)c(C(=O)[O-])c3)o2)C1=O	ZINC000029045910	210539883	/nfs/dbraw/zinc/53/98/83/210539883.db2.gz	GXABMXZYEVFMKB-MLPAPPSSSA-N	-2	0	389.341	2.471	1	10		GECFRL
C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000029233525	221690247	/nfs/dbraw/zinc/69/02/47/221690247.db2.gz	LNCLEGULBFWCRV-PMACEKPBSA-N	-2	0	390.388	2.476	1	10		GECFRL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1[O-]	ZINC000013687283	221280875	/nfs/dbraw/zinc/28/08/75/221280875.db2.gz	OQDWGOSXEJFUBG-QMMMGPOBSA-N	-2	0	384.635	2.046	1	10		GECFRL