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(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000012153568	526293943	/nfs/dbraw/zinc/29/39/43/526293943.db2.gz	IKIIZLYTISPENI-RFBJODPTSA-N	-2	3	446.364	0.142	1	10		ICCFHL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)[O-])c1[O-]	ZINC000013536865	562992408	/nfs/dbraw/zinc/99/24/08/562992408.db2.gz	AWDORQGDSMVQAK-ZDUSSCGKSA-N	-3	3	428.334	0.902	1	10		ICCFHL
O=C([O-])[C@H]1O[C@@H](Oc2cc3c(c([O-])c2O)C(=O)C[C@@H](c2ccccc2)O3)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000033830690	563084780	/nfs/dbraw/zinc/08/47/80/563084780.db2.gz	UVNUGBQJLDGZKE-XDZPIWCFSA-N	-2	3	448.380	0.075	1	10		ICCFHL
O=C([O-])[C@H]1O[C@@H](Oc2cc3c(c([O-])c2O)C(=O)C[C@H](c2ccccc2)O3)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000033830691	291317540	/nfs/dbraw/zinc/31/75/40/291317540.db2.gz	UVNUGBQJLDGZKE-IVYXBCMGSA-N	-2	3	448.380	0.075	1	10	biogenic,in-vitro	ICCFHL
O=C1NC(=S)S[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040429911	563103298	/nfs/dbraw/zinc/10/32/98/563103298.db2.gz	VWYOGIAKPPRRQY-JGVFFNPUSA-N	-4	3	442.304	0.876	1	10		ICCFHL
O=C1NC(=S)S[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040429913	563103274	/nfs/dbraw/zinc/10/32/74/563103274.db2.gz	VWYOGIAKPPRRQY-HTQZYQBOSA-N	-4	3	442.304	0.876	1	10		ICCFHL
O=C1NC(=S)S[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040429915	563103232	/nfs/dbraw/zinc/10/32/32/563103232.db2.gz	VWYOGIAKPPRRQY-YUMQZZPRSA-N	-4	3	442.304	0.876	1	10		ICCFHL
O=C1NC(=S)S[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040429917	563103237	/nfs/dbraw/zinc/10/32/37/563103237.db2.gz	VWYOGIAKPPRRQY-SFYZADRCSA-N	-4	3	442.304	0.876	1	10		ICCFHL
O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040430540	563103439	/nfs/dbraw/zinc/10/34/39/563103439.db2.gz	SBXMDCQORCWAMJ-JGVFFNPUSA-N	-4	3	442.304	0.876	1	10		ICCFHL
O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040430542	563103475	/nfs/dbraw/zinc/10/34/75/563103475.db2.gz	SBXMDCQORCWAMJ-HTQZYQBOSA-N	-4	3	442.304	0.876	1	10		ICCFHL
O=C1NC(=S)S[C@H]1[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040430544	563103534	/nfs/dbraw/zinc/10/35/34/563103534.db2.gz	SBXMDCQORCWAMJ-YUMQZZPRSA-N	-4	3	442.304	0.876	1	10		ICCFHL
O=C1NC(=S)S[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040430546	563103452	/nfs/dbraw/zinc/10/34/52/563103452.db2.gz	SBXMDCQORCWAMJ-SFYZADRCSA-N	-4	3	442.304	0.876	1	10		ICCFHL
CN[C@H]1c2c([O-])c3c(cc2OCCC1=O)C(=O)c1cc(OC)c([O-])c(C(O)O)c1C3=O	ZINC000103524242	291312022	/nfs/dbraw/zinc/31/20/22/291312022.db2.gz	CMFIPQMHAFHEGB-MRXNPFEDSA-N	-2	3	429.381	0.960	1	10	biogenic,in-vitro	ICCFHL