smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]nc(C(=O)[N-]C(=O)C(=O)Nc2ncccc2C)c1[N+](=O)[O-]	ZINC000013302094	201890292	/nfs/dbraw/zinc/89/02/92/201890292.db2.gz	OYUIVZBITIBYOU-UHFFFAOYSA-N	-1	1	332.276	0.225	40	5		ECBBMM
O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016429278	436091979	/nfs/dbraw/zinc/09/19/79/436091979.db2.gz	UVIDHWCYONHNTG-NSHDSACASA-N	-1	1	340.317	0.292	40	5		ECBBMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016429275	436091828	/nfs/dbraw/zinc/09/18/28/436091828.db2.gz	UVIDHWCYONHNTG-LLVKDONJSA-N	-1	1	340.317	0.292	40	5		ECBBMM
Nc1nc([O-])c(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1	ZINC000008653010	436032384	/nfs/dbraw/zinc/03/23/84/436032384.db2.gz	BEIOEEYJKRINAY-QMMMGPOBSA-N	-1	1	339.289	0.788	40	5		ECBBMM
Nc1nc([O-])c(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1	ZINC000008653009	436030930	/nfs/dbraw/zinc/03/09/30/436030930.db2.gz	BEIOEEYJKRINAY-MRVPVSSYSA-N	-1	1	339.289	0.788	40	5		ECBBMM
NC(=O)COc1ccccc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000409338872	438583910	/nfs/dbraw/zinc/58/39/10/438583910.db2.gz	PWQCTYKPAFGMBI-WAYWQWQTSA-N	-1	1	332.272	0.831	40	5		ECBBMM
COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c1O	ZINC000408593572	438582956	/nfs/dbraw/zinc/58/29/56/438582956.db2.gz	QHVKZTMLWCDWRP-FPYGCLRLSA-N	-1	1	337.244	0.286	40	5		ECBBMM
CC(=O)CCn1nc([N+](=O)[O-])nc1-c1n[n-]c(Br)n1	ZINC000006186098	435997868	/nfs/dbraw/zinc/99/78/68/435997868.db2.gz	GWGPIEDLMGIXEO-UHFFFAOYSA-N	-1	1	330.102	0.713	40	5		ECBBMM
Nc1[nH]c(=S)[n-]c(=O)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000008651771	436031183	/nfs/dbraw/zinc/03/11/83/436031183.db2.gz	NYEYEVPZXQXXMT-UHFFFAOYSA-N	-1	1	343.346	0.762	40	5		ECBBMM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc([N+](=O)[O-])c1O	ZINC000408594342	438582307	/nfs/dbraw/zinc/58/23/07/438582307.db2.gz	OOTGZXJFPZCXMM-FARCUNLSSA-N	-1	1	337.244	0.286	40	5		ECBBMM
NC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1	ZINC000409335198	438583964	/nfs/dbraw/zinc/58/39/64/438583964.db2.gz	ZJOQHGOFFYZTLX-ZZXKWVIFSA-N	-1	1	332.272	0.831	40	5		ECBBMM