smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1OCc1ccccc1Cl	ZINC000100378363	554361727	/nfs/dbraw/zinc/36/17/27/554361727.db2.gz	SFNVSELWJAPMPT-VOTSOKGWSA-N	-2	1	555.712	4.400	40	5		KIBBML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1OCc1ccccc1	ZINC000102577342	554971823	/nfs/dbraw/zinc/97/18/23/554971823.db2.gz	YDXZDXDERPJIQF-HJWRWDBZSA-N	-2	1	535.294	4.136	40	5		KIBBML
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)cc([N+](=O)[O-])c3[O-])C(=O)[O-])n2)c1	ZINC000408631049	572286955	/nfs/dbraw/zinc/28/69/55/572286955.db2.gz	BSFICYASGCNRFW-UUASQNMZSA-N	-2	1	523.321	4.083	40	5		KIBBML
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C(=O)[O-])n2)c1	ZINC000408634156	572291084	/nfs/dbraw/zinc/29/10/84/572291084.db2.gz	ROFQGHJGIZRBIM-WCSRMQSCSA-N	-2	1	523.321	4.083	40	5		KIBBML
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc([N+](=O)[O-])cc(Br)c3[O-])C(=O)[O-])n2)c1	ZINC000408635071	572292166	/nfs/dbraw/zinc/29/21/66/572292166.db2.gz	YMVSLXXFYCMJET-UUASQNMZSA-N	-2	1	523.321	4.083	40	5		KIBBML