smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=S)S[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040429911	563103294	/nfs/dbraw/zinc/10/32/94/563103294.db2.gz	VWYOGIAKPPRRQY-JGVFFNPUSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040429911	563103293	/nfs/dbraw/zinc/10/32/93/563103293.db2.gz	VWYOGIAKPPRRQY-JGVFFNPUSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040429913	563103270	/nfs/dbraw/zinc/10/32/70/563103270.db2.gz	VWYOGIAKPPRRQY-HTQZYQBOSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040429913	563103269	/nfs/dbraw/zinc/10/32/69/563103269.db2.gz	VWYOGIAKPPRRQY-HTQZYQBOSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040429915	563103229	/nfs/dbraw/zinc/10/32/29/563103229.db2.gz	VWYOGIAKPPRRQY-YUMQZZPRSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040429915	563103228	/nfs/dbraw/zinc/10/32/28/563103228.db2.gz	VWYOGIAKPPRRQY-YUMQZZPRSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040429917	563103234	/nfs/dbraw/zinc/10/32/34/563103234.db2.gz	VWYOGIAKPPRRQY-SFYZADRCSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040429917	563103233	/nfs/dbraw/zinc/10/32/33/563103233.db2.gz	VWYOGIAKPPRRQY-SFYZADRCSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040430540	563103435	/nfs/dbraw/zinc/10/34/35/563103435.db2.gz	SBXMDCQORCWAMJ-JGVFFNPUSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040430540	563103433	/nfs/dbraw/zinc/10/34/33/563103433.db2.gz	SBXMDCQORCWAMJ-JGVFFNPUSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040430542	563103471	/nfs/dbraw/zinc/10/34/71/563103471.db2.gz	SBXMDCQORCWAMJ-HTQZYQBOSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040430542	563103469	/nfs/dbraw/zinc/10/34/69/563103469.db2.gz	SBXMDCQORCWAMJ-HTQZYQBOSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@H]1[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040430544	563103531	/nfs/dbraw/zinc/10/35/31/563103531.db2.gz	SBXMDCQORCWAMJ-YUMQZZPRSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@H]1[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040430544	563103530	/nfs/dbraw/zinc/10/35/30/563103530.db2.gz	SBXMDCQORCWAMJ-YUMQZZPRSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040430546	563103448	/nfs/dbraw/zinc/10/34/48/563103448.db2.gz	SBXMDCQORCWAMJ-SFYZADRCSA-N	-2	2	442.304	0.876	1	10		ICCFLL
O=C1NC(=S)S[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040430546	563103446	/nfs/dbraw/zinc/10/34/46/563103446.db2.gz	SBXMDCQORCWAMJ-SFYZADRCSA-N	-2	2	442.304	0.876	1	10		ICCFLL