smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1nn2cc(-c3n[nH]c(-c4cnc5c(Cl)c(C(=O)[O-])nn5c4)c3[N+](=O)[O-])cnc2c1Cl	ZINC000008781380	553144609	/nfs/dbraw/zinc/14/46/09/553144609.db2.gz	DDHNCNSWPADVIM-UHFFFAOYSA-N	-2	0	504.206	2.441	40	5		KEBBRL
CC(=O)Oc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43	ZINC000025783856	553814162	/nfs/dbraw/zinc/81/41/62/553814162.db2.gz	HTHZAHLMNQGWTE-UHFFFAOYSA-N	-3	0	500.484	2.249	40	5	in-vitro	KEBBRL
O=C([O-])c1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])c(C(=O)[O-])c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000043443360	554298774	/nfs/dbraw/zinc/29/87/74/554298774.db2.gz	KTOSNPAYUHDROQ-UHFFFAOYSA-N	-2	0	512.212	2.199	40	5		KEBBRL
Cc1ccc(S(=O)(=O)[N-]C(=O)OCC(Br)(COC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)[N+](=O)[O-])cc1	ZINC000100959816	554542194	/nfs/dbraw/zinc/54/21/94/554542194.db2.gz	OIUFBOREVDXLSF-UHFFFAOYSA-N	-2	0	594.418	2.201	40	5		KEBBRL
O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nc3c(nc12)c(C(=O)[O-])nn3-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000101673948	554827404	/nfs/dbraw/zinc/82/74/04/554827404.db2.gz	FKZHNCWRECMUAD-UHFFFAOYSA-N	-2	0	580.342	2.184	40	5		KEBBRL
Cn1c([O-])c(C(c2ccc(Cl)c([N+](=O)[O-])c2)c2c([O-])n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	ZINC000409106450	1066402432	/nfs/dbraw/zinc/40/24/32/1066402432.db2.gz	NIKGTSFURVPTST-UHFFFAOYSA-N	-2	0	511.969	2.373	40	5		KEBBRL
Cn1c([O-])c(C(c2cc([N+](=O)[O-])ccc2Cl)c2c([O-])n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	ZINC000409109213	1066403507	/nfs/dbraw/zinc/40/35/07/1066403507.db2.gz	ZSPVPTASMLRIJI-UHFFFAOYSA-N	-2	0	511.969	2.373	40	5		KEBBRL