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@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N=S(=O)([O-])c1ccc(F)cc1	ZINC000027553510	563043513	/nfs/dbraw/zinc/04/35/13/563043513.db2.gz	NLRNTDCFSNNBFP-NSHDSACASA-N	-2	0	425.394	2.312	1	30		IEEFRL
Cc1ccc(S(=O)(=O)[N-]n2c([O-])c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1	ZINC000001650970	562923844	/nfs/dbraw/zinc/92/38/44/562923844.db2.gz	SSMNUCUIXGOSNL-UHFFFAOYSA-N	-2	0	449.492	2.271	1	30		IEEFRL
C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N=S(=O)([O-])c1ccc(F)cc1	ZINC000027553507	563043564	/nfs/dbraw/zinc/04/35/64/563043564.db2.gz	NLRNTDCFSNNBFP-LLVKDONJSA-N	-2	0	425.394	2.312	1	30		IEEFRL
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)N=S(=O)([O-])c1ccc(F)cc1	ZINC000013863180	563013302	/nfs/dbraw/zinc/01/33/02/563013302.db2.gz	HXBFUQHTZDAGMI-NSHDSACASA-N	-2	0	425.394	2.312	1	30		IEEFRL
C[C@H]1CC(=O)[C@@H](CC(=O)[O-])[C@H]1C(=C([O-])C(=O)Nc1cc(Cl)ccc1Cl)[N+](=O)[O-]	ZINC000005812076	562944795	/nfs/dbraw/zinc/94/47/95/562944795.db2.gz	ZCSJDMLHTYMQPU-KDKNRSLCSA-N	-2	0	431.228	2.462	1	30		IEEFRL
N#Cc1ncc2nc1OCCCCOc1cc(P(=O)([O-])[O-])c(Cl)cc1NC(=O)N2	ZINC000028963263	563070927	/nfs/dbraw/zinc/07/09/27/563070927.db2.gz	ZYCNXNPOBIAGRO-UHFFFAOYSA-N	-2	0	439.752	2.000	1	30		IEEFRL
C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)N=S(=O)([O-])c1ccc(F)cc1	ZINC000026379203	563031339	/nfs/dbraw/zinc/03/13/39/563031339.db2.gz	HXBFUQHTZDAGMI-LLVKDONJSA-N	-2	0	425.394	2.312	1	30		IEEFRL
COc1ccc(-c2c(C#N)c([O-])n([N-]S(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1	ZINC000001650957	562923839	/nfs/dbraw/zinc/92/38/39/562923839.db2.gz	JVFSFNVFNFLTKC-UHFFFAOYSA-N	-2	0	436.449	2.214	1	30		IEEFRL
O=C([N-]S(=O)(=O)c1ccccc1)c1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2)n1	ZINC000073164109	563169602	/nfs/dbraw/zinc/16/96/02/563169602.db2.gz	IASRLWJBTIOCKI-UHFFFAOYSA-N	-2	0	445.478	2.469	1	30		IEEFRL