smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1nc(NC(=O)[N-]C(=O)c2c(OC)ccc([N+](=O)[O-])c2OC)nc(OC)n1	ZINC000008626765	571096332	/nfs/dbraw/zinc/09/63/32/571096332.db2.gz	FQJMDNMHCGECTK-UHFFFAOYSA-N	-1	3	408.327	0.776	50	5		HCBAHM
COc1nc(NC([O-])=NC(=O)c2c(OC)ccc([N+](=O)[O-])c2OC)nc(OC)n1	ZINC000008626765	571096330	/nfs/dbraw/zinc/09/63/30/571096330.db2.gz	FQJMDNMHCGECTK-UHFFFAOYSA-N	-1	3	408.327	0.776	50	5		HCBAHM
O=C(COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000009540216	571267427	/nfs/dbraw/zinc/26/74/27/571267427.db2.gz	GGOKUEAMIVMXDF-UHFFFAOYSA-N	-1	3	416.321	0.919	50	5		HCBAHM
O=C(COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000009582774	571270999	/nfs/dbraw/zinc/27/09/99/571270999.db2.gz	RRZXUSINZYBTAL-UHFFFAOYSA-N	-1	3	416.321	0.919	50	5		HCBAHM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CCCOCC2CC2)c([N+](=O)[O-])c1	ZINC000012871058	569013256	/nfs/dbraw/zinc/01/32/56/569013256.db2.gz	ZZSQWJAIYCJGFG-UHFFFAOYSA-N	-1	3	421.497	0.940	50	5		HCBAHM
Cc1cc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000013878775	558889964	/nfs/dbraw/zinc/88/99/64/558889964.db2.gz	WMALVBWGMRKQBU-UHFFFAOYSA-N	-1	3	423.403	0.832	50	5		HCBAHM
COc1ccc(S(=O)(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000024464228	560891178	/nfs/dbraw/zinc/89/11/78/560891178.db2.gz	GCAOKPYXXRSRJZ-UHFFFAOYSA-N	-1	3	415.449	0.860	50	5		HCBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCN1CCN(c2ncccn2)CC1	ZINC000030004149	568855369	/nfs/dbraw/zinc/85/53/69/568855369.db2.gz	MMXHMYMKGXPIAB-UHFFFAOYSA-N	-1	3	406.468	0.875	50	5		HCBAHM
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCCN1CCOCC1)OCCCO2	ZINC000032895323	527340637	/nfs/dbraw/zinc/34/06/37/527340637.db2.gz	HLAJSXBKPDQZCI-UHFFFAOYSA-N	-1	3	401.441	0.757	50	5		HCBAHM
CCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C)C[C@@H]32)C1=O	ZINC000055231971	569395229	/nfs/dbraw/zinc/39/52/29/569395229.db2.gz	LKOYTYUHBYDIHR-DNVCBOLYSA-N	-1	3	401.423	0.746	50	5		HCBAHM
CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C)C[C@@H]32)C1=O	ZINC000055231973	569395239	/nfs/dbraw/zinc/39/52/39/569395239.db2.gz	LKOYTYUHBYDIHR-BEFAXECRSA-N	-1	3	401.423	0.746	50	5		HCBAHM
COc1ccc(S(=O)(=O)[N-]Cc2cccc(CS(N)(=O)=O)c2)c([N+](=O)[O-])c1	ZINC000058425561	568917937	/nfs/dbraw/zinc/91/79/37/568917937.db2.gz	UHWVZHIEJYVIRQ-UHFFFAOYSA-N	-1	3	415.449	0.870	50	5		HCBAHM
CCN(CC)S(=O)(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC	ZINC000170604988	569244557	/nfs/dbraw/zinc/24/45/57/569244557.db2.gz	FSRLUVBWNJXUBO-UHFFFAOYSA-N	-1	3	423.469	0.331	50	5		HCBAHM
O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)CC2	ZINC000170685846	569298538	/nfs/dbraw/zinc/29/85/38/569298538.db2.gz	JDBFKUWZNDDTKW-UHFFFAOYSA-N	-1	3	421.435	0.262	50	5		HCBAHM
CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)(C(N)=O)C1	ZINC000225656577	568778103	/nfs/dbraw/zinc/77/81/03/568778103.db2.gz	CZCJNMMPDAZWMF-UHFFFAOYSA-N	-1	3	414.440	0.489	50	5		HCBAHM
CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C)C[C@H]32)C1=O	ZINC000230038680	568803322	/nfs/dbraw/zinc/80/33/22/568803322.db2.gz	LKOYTYUHBYDIHR-KXBFYZLASA-N	-1	3	401.423	0.746	50	5		HCBAHM
CCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C)C[C@H]32)C1=O	ZINC000230038685	568802991	/nfs/dbraw/zinc/80/29/91/568802991.db2.gz	LKOYTYUHBYDIHR-HNAYVOBHSA-N	-1	3	401.423	0.746	50	5		HCBAHM