smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(CC2=c3ccc([N+](=O)[O-])cc3=NC2)CC1	ZINC000521395890	373841205	/nfs/dbraw/zinc/84/12/05/373841205.db2.gz	IQOSIEDQEUWSLQ-UHFFFAOYSA-N	0	3	274.324	-0.374	40	5		CBBBHN
CCC(COC(=O)/C=C/C(=O)NC(N)=O)[N+](=O)[O-]	ZINC000001608791	351304930	/nfs/dbraw/zinc/30/49/30/351304930.db2.gz	NXFSKLHVZCVLBO-FCJGRKLLSA-N	0	3	259.218	-0.664	40	5		CBBBHN
CN(C)CCn1ccc2nc3ccn(N)c(=O)c3cc2c1=O	ZINC000040398624	282115856	/nfs/dbraw/zinc/11/58/56/282115856.db2.gz	NWDXTOOMSILZAZ-UHFFFAOYSA-N	0	3	299.334	-0.013	40	5		CBBBHN
CCC(COC(=O)/C=C/C(=O)NC(N)=O)[N+](=O)[O-]	ZINC000001608789	351304953	/nfs/dbraw/zinc/30/49/53/351304953.db2.gz	NXFSKLHVZCVLBO-YUDCMIJISA-N	0	3	259.218	-0.664	40	5		CBBBHN
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(CCO)CC1	ZINC000225238745	352247069	/nfs/dbraw/zinc/24/70/69/352247069.db2.gz	RBSPMHRVMFANAW-UHFFFAOYSA-N	0	3	294.315	-0.054	40	5		CBBBHN