smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nonc1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002875933	484942584	/nfs/dbraw/zinc/94/25/84/484942584.db2.gz	RIRVFINKYNLLJF-UHFFFAOYSA-N	-1	3	356.320	-0.732	50	5		FBBAHM
Cc1ccc(NC(=O)COC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c([N+](=O)[O-])c1	ZINC000009612497	204376119	/nfs/dbraw/zinc/37/61/19/204376119.db2.gz	AVFRKMMAKKVSNL-UHFFFAOYSA-N	-1	3	363.286	-0.342	50	5		FBBAHM
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000009612500	207278832	/nfs/dbraw/zinc/27/88/32/207278832.db2.gz	MBSDEPRBGCAKCM-UHFFFAOYSA-N	-1	3	364.270	-0.225	50	5		FBBAHM
O=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1c[nH]c(=O)[n-]c1=O	ZINC000013957547	483749219	/nfs/dbraw/zinc/74/92/19/483749219.db2.gz	JRZGYLUPHBQCFM-UHFFFAOYSA-N	-1	3	373.281	-0.404	50	5		FBBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000016993809	484012026	/nfs/dbraw/zinc/01/20/26/484012026.db2.gz	GVWUKQWJJQFUGC-LBPRGKRZSA-N	-1	3	359.342	-0.376	50	5		FBBAHM
O=C(CN1CCOCC1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000020508251	526788603	/nfs/dbraw/zinc/78/86/03/526788603.db2.gz	XMSCKEDOJNHUSK-UHFFFAOYSA-N	-1	3	372.403	-0.679	50	5		FBBAHM
O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	ZINC000020508254	526336991	/nfs/dbraw/zinc/33/69/91/526336991.db2.gz	LGMURLNOTJTRJY-UHFFFAOYSA-N	-1	3	358.376	-0.085	50	5		FBBAHM
COC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000024477391	483752927	/nfs/dbraw/zinc/75/29/27/483752927.db2.gz	RVEWMSZWVFKLRM-UHFFFAOYSA-N	-1	3	361.332	-0.829	50	5		FBBAHM