smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])c(=O)n2C1	ZINC000004182079	568786827	/nfs/dbraw/zinc/78/68/27/568786827.db2.gz	IEGYELZJAZYFIA-ACAGNQJTSA-N	-1	0	434.386	0.731	40	5		ICBBRM
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O	ZINC000013520531	556680114	/nfs/dbraw/zinc/68/01/14/556680114.db2.gz	RWOAVOYBVRQNIZ-BFHYXJOUSA-N	-1	0	443.305	0.598	40	5	in-vitro	ICBBRM
Cc1cn([C@H]2C[C@H](O[P@](=O)([O-])Oc3ccc([N+](=O)[O-])cc3)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000013520567	556680450	/nfs/dbraw/zinc/68/04/50/556680450.db2.gz	GARWHKNSBLVQGD-BFHYXJOUSA-N	-1	0	443.305	0.598	40	5		ICBBRM
Cc1nc([O-])c(C(c2cc3c(cc2[N+](=O)[O-])OCO3)C2C(=O)N=C(C)NC2=O)c(=O)[nH]1	ZINC000016363257	568878576	/nfs/dbraw/zinc/87/85/76/568878576.db2.gz	VAUCMDVLAOAUBR-UHFFFAOYSA-N	-1	0	429.345	0.698	40	5		ICBBRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016478756	527649098	/nfs/dbraw/zinc/64/90/98/527649098.db2.gz	QUTYFFPPYOOTFO-MRXNPFEDSA-N	-1	0	428.401	0.253	40	5		ICBBRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016478759	568909380	/nfs/dbraw/zinc/90/93/80/568909380.db2.gz	QUTYFFPPYOOTFO-INIZCTEOSA-N	-1	0	428.401	0.253	40	5		ICBBRM
CN(CC(C[N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	ZINC000408718328	556617244	/nfs/dbraw/zinc/61/72/44/556617244.db2.gz	KGLNGGOPNOQZKK-UHFFFAOYSA-N	-1	0	434.234	0.196	40	5		ICBBRM