smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1CNc1cc2c(c[nH+]1)[nH]c1ccccc12	ZINC000072176822	191071128	/nfs/dbraw/zinc/07/11/28/191071128.db2.gz	UMIBZLRBAYWCHO-UHFFFAOYSA-N	1	2	318.336	4.236	1	5		DIBFLO
O=[N+]([O-])c1ccc(NNc2cc[nH+]c3cc(Cl)ccc23)cc1	ZINC000004419286	181108196	/nfs/dbraw/zinc/10/81/96/181108196.db2.gz	MOBZTQHHLZEMJU-UHFFFAOYSA-N	1	2	314.732	4.235	1	5		DIBFLO
c1c2ccc(cc3ccc(cc4[nH+]c(cc5ccc1[nH]5)CC4)[nH]3)n2	ZINC000005845716	560203531	/nfs/dbraw/zinc/20/35/31/560203531.db2.gz	SURLGNKAQXKNSP-UHFFFAOYSA-N	1	2	312.376	4.378	1	5	in-vitro	DIBFLO
c1c2ccc(cc3[nH+]c(cc4ccc(cc5ccc1[nH]5)[nH]4)CC3)n2	ZINC000005845716	560203532	/nfs/dbraw/zinc/20/35/32/560203532.db2.gz	SURLGNKAQXKNSP-UHFFFAOYSA-N	1	2	312.376	4.378	1	5	in-vitro	DIBFLO
O=[N+]([O-])c1cccc(CNc2cc3c(c[nH+]2)[nH]c2ccccc23)c1	ZINC000072175919	191070928	/nfs/dbraw/zinc/07/09/28/191070928.db2.gz	KKGKUYTTYJULKY-UHFFFAOYSA-N	1	2	318.336	4.236	1	5		DIBFLO
C[NH+](C)c1ccc(Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000058507691	184120834	/nfs/dbraw/zinc/12/08/34/184120834.db2.gz	XSVYZOBOERWGEJ-UHFFFAOYSA-N	1	2	314.370	4.014	1	5		DIBFLO