smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)CC(=O)[O-]	ZINC000147285025	205363542	/nfs/dbraw/zinc/36/35/42/205363542.db2.gz	YYVYNSZMMINHML-ZETCQYMHSA-N	-2	0	336.753	1.637	10	5		EDBERL
O=C([O-])C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000166552938	226162454	/nfs/dbraw/zinc/16/24/54/226162454.db2.gz	QHHXUNFRAYSYFP-QMMMGPOBSA-N	-2	0	333.094	1.697	10	5		EDBERL
O=C([O-])C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000166531810	534501853	/nfs/dbraw/zinc/50/18/53/534501853.db2.gz	XGYVDWHPUDWNRC-RXMQYKEDSA-N	-2	0	334.082	1.092	10	5		EDBERL
O=C([O-])CN(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1Br	ZINC000113291531	220515349	/nfs/dbraw/zinc/51/53/49/220515349.db2.gz	WGUARJSBELQMKM-UHFFFAOYSA-N	-2	0	333.094	1.333	10	5		EDBERL
CC(C)(C)OC(=O)N[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000039614489	213240928	/nfs/dbraw/zinc/24/09/28/213240928.db2.gz	WKOHDYUJJUVBQB-SECBINFHSA-N	-2	0	326.305	1.821	10	5		EDBERL
O=C([O-])C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000166531697	226162549	/nfs/dbraw/zinc/16/25/49/226162549.db2.gz	XGYVDWHPUDWNRC-YFKPBYRVSA-N	-2	0	334.082	1.092	10	5		EDBERL
Cc1c(Br)c(N[C@H](CC(=O)[O-])C(=O)[O-])ncc1[N+](=O)[O-]	ZINC000165681447	226133292	/nfs/dbraw/zinc/13/32/92/226133292.db2.gz	CRDQXWBGWHGKPI-RXMQYKEDSA-N	-2	0	348.109	1.401	10	5		EDBERL
O=C([O-])C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000166529447	534501809	/nfs/dbraw/zinc/50/18/09/534501809.db2.gz	GHHURACXFQEDBK-SSDOTTSWSA-N	-2	0	333.094	1.697	10	5		EDBERL
O=C([O-])C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000166555694	534502767	/nfs/dbraw/zinc/50/27/67/534502767.db2.gz	OFGYVXCNHABCOC-ZCFIWIBFSA-N	-2	0	334.082	1.092	10	5		EDBERL
O=C([O-])CN(CC(=O)[O-])c1ccc(Br)cc1[N+](=O)[O-]	ZINC000110970262	220086425	/nfs/dbraw/zinc/08/64/25/220086425.db2.gz	AMDBBYPWOGXMTR-UHFFFAOYSA-N	-2	0	333.094	1.333	10	5		EDBERL
O=C([O-])c1nn(-c2cc([N+](=O)[O-])ccc2Br)cc1[O-]	ZINC000159479642	225225667	/nfs/dbraw/zinc/22/56/67/225225667.db2.gz	LRKNNTUCRYPGIM-UHFFFAOYSA-N	-2	0	328.078	1.947	10	5		EDBERL
O=C([O-])C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000166553038	534502361	/nfs/dbraw/zinc/50/23/61/534502361.db2.gz	QHHXUNFRAYSYFP-MRVPVSSYSA-N	-2	0	333.094	1.697	10	5		EDBERL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1nn(-c2ccccc2)c(=O)[n-]1	ZINC000071528486	203098255	/nfs/dbraw/zinc/09/82/55/203098255.db2.gz	NKYLXNDOXYZMQL-UHFFFAOYSA-N	-2	0	341.283	1.839	10	5		EDBERL
O=C([O-])CS(=O)(=O)[N-]c1ccc(Br)cc1[N+](=O)[O-]	ZINC000037048844	213131139	/nfs/dbraw/zinc/13/11/39/213131139.db2.gz	WCWMZJRSHYPWPX-UHFFFAOYSA-N	-2	0	339.123	1.184	10	5		EDBERL
Cc1ccc(C(=O)[O-])c2nc3c(C(=O)[O-])c(N)c(=O)c(C)c-3oc12	ZINC000004726920	560199826	/nfs/dbraw/zinc/19/98/26/560199826.db2.gz	KXRMREPJUITWDU-UHFFFAOYSA-N	-2	0	328.280	1.888	10	5	in-vitro	EDBERL