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(/C=C/c1ccccc1O)c1cccc(O)c1[O-]	ZINC000095574668	185010706	/nfs/dbraw/zinc/01/07/06/185010706.db2.gz	HVYFGDLINYPWGI-CMDGGOBGSA-N	-2	0	256.257	2.700	1	30		CFEFRL
O=C([O-])C(=O)C=C([O-])c1ccc(Cc2ccccc2)s1	ZINC000005974618	170164860	/nfs/dbraw/zinc/16/48/60/170164860.db2.gz	MGLBIDLNQICQHL-XFXZXTDPSA-N	-2	0	288.324	2.892	1	30		CFEFRL
O=C([O-])C(=O)C=C([O-])c1ccsc1Cc1ccccc1	ZINC000005974604	170164988	/nfs/dbraw/zinc/16/49/88/170164988.db2.gz	DBIANNLPDPYNQD-XFXZXTDPSA-N	-2	0	288.324	2.892	1	30		CFEFRL
O=C([O-])CC/C=C/[C@@H](CS)CCCCC(=O)[O-]	ZINC000026378998	171480980	/nfs/dbraw/zinc/48/09/80/171480980.db2.gz	BEONMFTUPNSRHN-XOTMTNNUSA-N	-2	0	260.355	2.598	1	30		CFEFRL
O=C([O-])C(=O)C=C([O-])c1cccc(Cc2ccccc2)c1	ZINC000003943413	581102274	/nfs/dbraw/zinc/10/22/74/581102274.db2.gz	QGCIARGIIYMTGU-PTNGSMBKSA-N	-2	0	282.295	2.830	1	30		CFEFRL
O=C([O-])c1cccc(S[C@H](CCCS)C(=O)[O-])c1	ZINC000013686686	170578354	/nfs/dbraw/zinc/57/83/54/170578354.db2.gz	QIPLUMAHVZVCQB-SNVBAGLBSA-N	-2	0	286.374	2.640	1	30	in-vivo	CFEFRL
O=C([O-])C(=O)C=C([O-])c1cccc(OCc2ccccc2)c1	ZINC000100870183	581102291	/nfs/dbraw/zinc/10/22/91/581102291.db2.gz	NJGMBFCAJFNIBI-GDNBJRDFSA-N	-2	0	298.294	2.818	1	30		CFEFRL
O=C([O-])CCCCC[C@@H](CS)CCCC(=O)[O-]	ZINC000013779827	170592987	/nfs/dbraw/zinc/59/29/87/170592987.db2.gz	VWNZEEOYVPLQJO-SNVBAGLBSA-N	-2	0	262.371	2.822	1	30		CFEFRL