smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(Cc1cnc2nc(N)c([N+](=O)[O-])c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000017025009	563013399	/nfs/dbraw/zinc/01/33/99/563013399.db2.gz	XTNUIWMSJAGHGL-ZDUSSCGKSA-N	-2	0	498.456	0.782	1	5		JCBFRL
NC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/C(=O)[O-]	ZINC000028381890	563062899	/nfs/dbraw/zinc/06/28/99/563062899.db2.gz	LAZQZZMFAHELHM-FHQWLQQXSA-N	-2	0	476.486	0.909	1	5		JCBFRL
C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[P@](=O)([O-])CCC(=O)[O-]	ZINC000028563711	563069036	/nfs/dbraw/zinc/06/90/36/563069036.db2.gz	MGZRNASZQWOYNN-QWRGUYRKSA-N	-2	0	451.394	0.610	1	5		JCBFRL
C[C@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[P@](=O)([O-])CCC(=O)[O-]	ZINC000028563713	563069034	/nfs/dbraw/zinc/06/90/34/563069034.db2.gz	MGZRNASZQWOYNN-WDEREUQCSA-N	-2	0	451.394	0.610	1	5		JCBFRL
COc1c([O-])cc2c(=O)oc3c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c([O-])cc4c(=O)oc1c2c43	ZINC000033832610	563111058	/nfs/dbraw/zinc/11/10/58/563111058.db2.gz	UNIJYMVRSKZTJI-HFGFDTQGSA-N	-2	0	462.363	0.117	1	5	biogenic,in-vitro	JCBFRL
COc1ccc(O)c2c(=O)c3c(O)cc(O[C@@H]4C[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3oc12	ZINC000070455163	560047427	/nfs/dbraw/zinc/04/74/27/560047427.db2.gz	WPGQLVFNDMDIEY-ZOQRCFIZSA-N	-2	0	464.423	0.217	1	5	biogenic,in-vitro	JCBFRL
COc1c([O-])cc2c(=O)oc3c(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c([O-])cc4c(=O)oc1c2c43	ZINC000095913627	291436798	/nfs/dbraw/zinc/43/67/98/291436798.db2.gz	UNIJYMVRSKZTJI-SOTUJYEISA-N	-2	0	462.363	0.117	1	5	biogenic,in-vitro	JCBFRL