smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(C(N)=S)c2=O)cc1Br	ZINC000020394427	524915274	/nfs/dbraw/zinc/91/52/74/524915274.db2.gz	LLMPFPUCUDGTAU-QNGOZBTKSA-N	-1	0	461.301	2.924	10	30		JFEERM
CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccccc2OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000012561291	562960673	/nfs/dbraw/zinc/96/06/73/562960673.db2.gz	ZUBFDOFIYFFNMJ-UDWIEESQSA-N	-1	0	450.473	2.535	10	30		JFEERM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1c(CO)cnc(C)c1O	ZINC000009662705	524641482	/nfs/dbraw/zinc/64/14/82/524641482.db2.gz	KMOCWKGGCTXNOH-FOKLQQMPSA-N	-1	0	487.494	2.752	10	30		JFEERM
COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2c(CO)cnc(C)c2O)c([N+](=O)[O-])c1	ZINC000009562438	524644762	/nfs/dbraw/zinc/64/47/62/524644762.db2.gz	ZZXNWVBRSUVZOA-FOKLQQMPSA-N	-1	0	487.494	2.752	10	30		JFEERM
NS(=O)(=O)c1ccc(N=NCc2cc(Br)cc(Br)c2[O-])c([N+](=O)[O-])c1	ZINC000009137567	527315598	/nfs/dbraw/zinc/31/55/98/527315598.db2.gz	KJTMUZXAEILJPV-UBKPWBPPSA-N	-1	0	494.121	2.919	10	30		JFEERM
NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1=O	ZINC000020530824	527109776	/nfs/dbraw/zinc/10/97/76/527109776.db2.gz	XDSCRJXVNYPPQH-OOAXWGSJSA-N	-1	0	498.480	2.628	10	30		JFEERM
NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2nc(-c3ccccc3)cs2)c1=O	ZINC000012377008	555965128	/nfs/dbraw/zinc/96/51/28/555965128.db2.gz	VBKLIANVLLXSHN-JWGURIENSA-N	-1	0	451.493	2.976	10	30		JFEERM