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(COC(=O)Cc2ccc(O)c(O)c2)[C@H](C(=O)[O-])N2C(=O)/C(=C/C(=O)[O-])[C@H]2S1(=O)=O	ZINC000026152513	563022460	/nfs/dbraw/zinc/02/24/60/563022460.db2.gz	UOCUZLXUMDFQKM-CKKCVLGVSA-N	-2	0	455.397	-0.997	1	10		JBCFRL
C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@H](C(=O)[O-])N2C(=O)/C(=C/C(=O)[O-])[C@@H]2S1(=O)=O	ZINC000026152518	563022451	/nfs/dbraw/zinc/02/24/51/563022451.db2.gz	UOCUZLXUMDFQKM-PSABQIGOSA-N	-2	0	455.397	-0.997	1	10		JBCFRL
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000033834063	560088023	/nfs/dbraw/zinc/08/80/23/560088023.db2.gz	DJSISFGPUUYILV-KWLWEVDOSA-N	-2	0	462.363	-0.152	1	10	biogenic,in-vitro	JBCFRL
O=C([O-])[C@H]1O[C@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)c(O)c2)CC3=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000095911385	565179307	/nfs/dbraw/zinc/17/93/07/565179307.db2.gz	YSORAXGDTRAEMV-SGEUTOBSSA-N	-2	0	464.379	-0.219	1	10	biogenic,in-vitro	JBCFRL
O=C([O-])[C@H]1O[C@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)CC3=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000095911386	565179297	/nfs/dbraw/zinc/17/92/97/565179297.db2.gz	YSORAXGDTRAEMV-CDVBKELWSA-N	-2	0	464.379	-0.219	1	10	biogenic,in-vitro	JBCFRL
O=C([O-])/C=C\c1ccc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000095911565	565179613	/nfs/dbraw/zinc/17/96/13/565179613.db2.gz	UQIFTTHBJDWQSZ-ADUYLMGXSA-N	-2	0	478.406	-0.055	1	10	biogenic,in-vitro	JBCFRL