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(Cn1cn[n+](N[N+](=O)[O-])c1)Nc1ccc(NC(=O)Cn2c[n+](N[N+](=O)[O-])cn2)cc1	ZINC000012374581	527393702	/nfs/dbraw/zinc/39/37/02/527393702.db2.gz	CQWBPPMEJUNXNK-UHFFFAOYSA-P	2	2	448.360	-2.598	50	0		IAAALP
Cn1c2nc(CN3CC[NH+](CCO)CC3)n(CC[NH+]3CCOCC3)c2c(=O)n(C)c1=O	ZINC000020533281	527119937	/nfs/dbraw/zinc/11/99/37/527119937.db2.gz	SZSAADOEVKEGQT-UHFFFAOYSA-N	2	2	435.529	-2.124	50	0		IAAALP
NC(=O)CN1CCC[N@@H+](CC(N)=O)CCN(CC(N)=O)CCC[NH+](CC(N)=O)CC1	ZINC000022859784	526883869	/nfs/dbraw/zinc/88/38/69/526883869.db2.gz	IELGXFGSUVHRIY-UHFFFAOYSA-N	2	2	428.538	-4.071	50	0		IAAALP
NC(=O)CN1CCC[N@H+](CC(N)=O)CCN(CC(N)=O)CCC[NH+](CC(N)=O)CC1	ZINC000022859784	526883863	/nfs/dbraw/zinc/88/38/63/526883863.db2.gz	IELGXFGSUVHRIY-UHFFFAOYSA-N	2	2	428.538	-4.071	50	0		IAAALP