smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2cc3nc(cc4nc(cc5[nH]c(cc([nH]2)c1CCC(=O)[O-])c(CCC(=O)[O-])c5C)c(C(O)CO)c4C)c(C(O)CO)c3C	ZINC000101099534	554586080	/nfs/dbraw/zinc/58/60/80/554586080.db2.gz	WRQJLUSVKWZBFM-IHLOFXLRSA-N	-2	2	630.698	4.189	50	0		KIAALL
Cc1c2cc3[nH]c(cc4[nH]c(cc5nc(cc(n2)c1[C@@H](O)CO)c(C)c5[C@H](O)CO)c(C)c4CCC(=O)[O-])c(CCC(=O)[O-])c3C	ZINC000101099538	554586017	/nfs/dbraw/zinc/58/60/17/554586017.db2.gz	WRQJLUSVKWZBFM-XZWHSSHBSA-N	-2	2	630.698	4.189	50	0		KIAALL
O=C([O-])c1cc(NC(=O)c2cc(NC(=O)c3ccccc3)cc(C(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2)cc(C(=O)[O-])c1	ZINC000101471198	554781782	/nfs/dbraw/zinc/78/17/82/554781782.db2.gz	DSLHAQKYZDMWCE-UHFFFAOYSA-N	-4	2	611.519	4.236	50	0		KIAALL
COc1ccc(Nc2nc(=NN=Cc3cc([N+](=O)[O-])ccc3O)nc(Nc3ccc([N+](=O)[O-])cc3)[nH]2)cc1	ZINC000252639031	572272122	/nfs/dbraw/zinc/27/21/22/572272122.db2.gz	YHMOEJALYMQVMI-UHFFFAOYSA-N	-2	2	517.462	4.335	50	0		KIAALL