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-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc([O-])cc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000033834063	560088027	/nfs/dbraw/zinc/08/80/27/560088027.db2.gz	DJSISFGPUUYILV-KWLWEVDOSA-N	-3	3	462.363	-0.152	1	10	biogenic,in-vitro	JBCFHL
O=C(NO[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O)c1cccc(O)c1[O-]	ZINC000038157693	563132829	/nfs/dbraw/zinc/13/28/29/563132829.db2.gz	KAOJSZMNXZTLSM-LSCFUAHRSA-N	-2	3	483.330	-0.665	1	10		JBCFHL
O=C([O-])[C@H](Cc1ccccc1)NC(=O)CN1C(=O)CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1=O	ZINC000045285216	563183804	/nfs/dbraw/zinc/18/38/04/563183804.db2.gz	OIHUOLJEYIWTSC-GJZGRUSLSA-N	-2	3	485.449	-0.137	1	10		JBCFHL
CC(C)C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1=O)C(=O)[O-]	ZINC000045298764	563185192	/nfs/dbraw/zinc/18/51/92/563185192.db2.gz	XPYILMGOCNSRKF-RYUDHWBXSA-N	-2	3	451.432	-0.334	1	10		JBCFHL
CC(=O)OC[C@H]1O[C@H](Oc2cc3c(c([O-])c2C)C(=O)c2ccc([O-])cc2C3=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000085541269	291420620	/nfs/dbraw/zinc/42/06/20/291420620.db2.gz	NZFWKPNBKZRWCW-UGWJNKPKSA-N	-2	3	474.418	-0.069	1	10	biogenic,in-vitro	JBCFHL
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	565179309	/nfs/dbraw/zinc/17/93/09/565179309.db2.gz	YSORAXGDTRAEMV-SGEUTOBSSA-N	-2	3	464.379	-0.219	1	10	biogenic,in-vitro	JBCFHL
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	565179300	/nfs/dbraw/zinc/17/93/00/565179300.db2.gz	YSORAXGDTRAEMV-CDVBKELWSA-N	-2	3	464.379	-0.219	1	10	biogenic,in-vitro	JBCFHL
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	565179620	/nfs/dbraw/zinc/17/96/20/565179620.db2.gz	UQIFTTHBJDWQSZ-ADUYLMGXSA-N	-2	3	478.406	-0.055	1	10	biogenic,in-vitro	JBCFHL
CC(=O)OC[C@H]1O[C@H](Oc2cc3c(c([O-])c2C)C(=O)c2ccc([O-])cc2C3=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000095919176	291420608	/nfs/dbraw/zinc/42/06/08/291420608.db2.gz	NZFWKPNBKZRWCW-PZTYSZJPSA-N	-2	3	474.418	-0.069	1	10	biogenic,in-vitro	JBCFHL