smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1C(c1c(C)[nH]n(-c2nc3ccccc3[nH]2)c1=O)c1ccc(C(=O)[O-])cc1	ZINC000008695089	553120833	/nfs/dbraw/zinc/12/08/33/553120833.db2.gz	MPFPYVBRLVZWBO-UHFFFAOYSA-N	-2	2	560.574	4.717	50	0		KJAALL
CO[C@H]1C=CO[C@]2(C)Oc3c(c4c(O)c(C=O)c(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O	ZINC000169712937	571559178	/nfs/dbraw/zinc/55/91/78/571559178.db2.gz	BBNQHOMJRFAQBN-VBYYLGPJSA-N	-2	2	725.788	4.567	50	0		KJAALL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cc(Br)c(O)c(Br)c1	ZINC000254762057	1067153645	/nfs/dbraw/zinc/15/36/45/1067153645.db2.gz	BKJCCYZSBMSZNS-UHFFFAOYSA-N	-2	2	614.228	4.770	50	0		KJAALL