smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1c(S(=O)(=O)[O-])cc(Nc2cc(F)ccc2C(=O)[O-])c2c1C(=O)c1ccccc1C2=O	ZINC000045388014	563194735	/nfs/dbraw/zinc/19/47/35/563194735.db2.gz	VXOKFGIBXXFYOE-UHFFFAOYSA-N	-2	0	456.407	2.872	1	10		JFCFRL
O=C([O-])CC[C@@H](NC(=O)c1ccc(CNc2ccc(C=C3SC(=S)NC3=O)cc2)cc1)C(=O)[O-]	ZINC000040880165	563152852	/nfs/dbraw/zinc/15/28/52/563152852.db2.gz	RZYHPJKIICLGJZ-LVSMMTLPSA-N	-2	0	499.570	2.835	1	10		JFCFRL
CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2Cl)C(OP(=O)([O-])[O-])=C(C=O)C1=O	ZINC000027105467	563040274	/nfs/dbraw/zinc/04/02/74/563040274.db2.gz	PNJVNYVUFJYDPX-WUKNDPDISA-N	-3	0	451.737	2.695	1	10		JFCFRL
CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2Cl)C(COP(=O)([O-])[O-])=C(C=O)C1=O	ZINC000027331209	563043186	/nfs/dbraw/zinc/04/31/86/563043186.db2.gz	JNYMRYXWUVNWPM-ISLYRVAYSA-N	-3	0	465.764	2.833	1	10		JFCFRL
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(CC(=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O	ZINC000045364997	563192904	/nfs/dbraw/zinc/19/29/04/563192904.db2.gz	MVALFVXXRAJWLG-UHFFFAOYSA-N	-2	0	452.444	2.662	1	10		JFCFRL
Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000049757505	563203348	/nfs/dbraw/zinc/20/33/48/563203348.db2.gz	VPHQWEXBHGIBGV-PZPYUUCDSA-N	-2	0	463.479	2.788	1	10		JFCFRL
O=C([O-])CC[C@H](NC(=O)c1ccc(CNc2ccc(C=C3SC(=S)NC3=O)cc2)cc1)C(=O)[O-]	ZINC000040876415	563152408	/nfs/dbraw/zinc/15/24/08/563152408.db2.gz	RZYHPJKIICLGJZ-PBXDPIQXSA-N	-2	0	499.570	2.835	1	10		JFCFRL
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(F)cc2C(=O)[O-])c2c1C(=O)c1ccccc1C2=O	ZINC000045335732	563190173	/nfs/dbraw/zinc/19/01/73/563190173.db2.gz	OBFSYBSKXOCXQH-UHFFFAOYSA-N	-2	0	456.407	2.872	1	10	in-vivo	JFCFRL
CC(=O)Cc1cc2c(c(O)c1C(=O)[O-])-c1cc3c(c(O)c1CC2)C(=O)c1c(O)cc([O-])cc1C3=O	ZINC000014724660	560225163	/nfs/dbraw/zinc/22/51/63/560225163.db2.gz	ODDJKDDLIBUZMH-UHFFFAOYSA-N	-2	0	474.421	2.880	1	10	in-vitro	JFCFRL
O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000035065179	563118709	/nfs/dbraw/zinc/11/87/09/563118709.db2.gz	UTTRZJFUQNZTLR-AWEZNQCLSA-N	-2	0	466.928	2.835	1	10		JFCFRL
O=C([O-])CC[C@H](NC(=O)c1ccc(CNc2cccc(C=C3SC(=S)NC3=O)c2)cc1)C(=O)[O-]	ZINC000040933489	563156816	/nfs/dbraw/zinc/15/68/16/563156816.db2.gz	AQJKYFLGRVVSNX-PBXDPIQXSA-N	-2	0	499.570	2.835	1	10		JFCFRL