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+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@H](c3ccco3)C2)cc1	ZINC000005579438	562944242	/nfs/dbraw/zinc/94/42/42/562944242.db2.gz	XMKNEKNCBQOPCV-IBGZPJMESA-N	0	1	427.438	4.163	1	5		IIBFMN
O=C1Nc2cccc3c2[C@@]1(CCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)CCC3	ZINC000013473691	562988414	/nfs/dbraw/zinc/98/84/14/562988414.db2.gz	APZGUZGUBUKLKQ-RUZDIDTESA-N	0	1	434.540	4.114	1	5		IIBFMN
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-]	ZINC000040565423	563104778	/nfs/dbraw/zinc/10/47/78/563104778.db2.gz	QCGQJKBZPXLHEG-UHFFFAOYSA-N	0	1	440.453	4.069	1	5		IIBFMN
CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000028367991	563053700	/nfs/dbraw/zinc/05/37/00/563053700.db2.gz	LOWHYEVMLNYNLM-HXUWFJFHSA-N	0	1	435.446	4.452	1	5		IIBFMN
COc1ccccc1N1CCN(CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1	ZINC000013441299	562986308	/nfs/dbraw/zinc/98/63/08/562986308.db2.gz	ZOLLYWYZUBUMOY-UHFFFAOYSA-N	0	1	436.512	4.403	1	5		IIBFMN
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1	ZINC000026502714	563032770	/nfs/dbraw/zinc/03/27/70/563032770.db2.gz	NSFWVTULGMSGPJ-UHFFFAOYSA-N	0	1	432.406	4.410	1	5		IIBFMN
C[C@@H](NC(=O)c1cccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c21)[C@H](O)c1ccc(Cl)cc1	ZINC000071315848	563161861	/nfs/dbraw/zinc/16/18/61/563161861.db2.gz	LPSCVCPFKCAOHO-WYRIXSBYSA-N	0	1	440.843	4.236	1	5		IIBFMN
CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000013726485	563001392	/nfs/dbraw/zinc/00/13/92/563001392.db2.gz	JONYPUKQVRMTRD-UHFFFAOYSA-N	0	1	437.522	4.325	1	5		IIBFMN
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000040422912	563102524	/nfs/dbraw/zinc/10/25/24/563102524.db2.gz	VSDLSICGFMFZRC-UHFFFAOYSA-N	0	1	430.476	4.089	1	5		IIBFMN
O=C1Nc2cccc3c2[C@]1(CCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)CCC3	ZINC000013473690	562988440	/nfs/dbraw/zinc/98/84/40/562988440.db2.gz	APZGUZGUBUKLKQ-VWLOTQADSA-N	0	1	434.540	4.114	1	5		IIBFMN
CC(C)(OC(=O)Nc1nc2nc[nH]c2c(OCc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1	ZINC000073199096	563170160	/nfs/dbraw/zinc/17/01/60/563170160.db2.gz	BCSGNLHUJCZFFL-UHFFFAOYSA-N	0	1	448.439	4.324	1	5		IIBFMN
COCCOc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc32)c(F)c1	ZINC000073158511	563169302	/nfs/dbraw/zinc/16/93/02/563169302.db2.gz	PNQLIJJPVOBSQU-UHFFFAOYSA-N	0	1	430.443	4.476	1	5		IIBFMN
CCOc1cc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4o3)CC2)ccc1OC	ZINC000049020169	563135583	/nfs/dbraw/zinc/13/55/83/563135583.db2.gz	VJSJPWFDQKGSJE-UHFFFAOYSA-N	0	1	426.473	4.220	1	5	in-vitro	IIBFMN
Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2N)cc1	ZINC000026378183	563031256	/nfs/dbraw/zinc/03/12/56/563031256.db2.gz	LLDXCXPWVDBVNS-UHFFFAOYSA-N	0	1	449.492	4.139	1	5		IIBFMN
CNC(=O)c1cc(-c2ccc3ccc4ccccc4c3c2)n(-c2ccc(NC(=O)CN)cc2)n1	ZINC000072119971	563163817	/nfs/dbraw/zinc/16/38/17/563163817.db2.gz	WUSCPTHPSVBMDB-UHFFFAOYSA-N	0	1	449.514	4.103	1	5		IIBFMN
O=C(OC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(O)(c1ccccc1)c1ccccc1	ZINC000013835331	563012148	/nfs/dbraw/zinc/01/21/48/563012148.db2.gz	OSRRPPAVDDEACA-UHFFFAOYSA-N	0	1	446.503	4.039	1	5		IIBFMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@@H](c3ccco3)C2)cc1	ZINC000031905899	563083829	/nfs/dbraw/zinc/08/38/29/563083829.db2.gz	XMKNEKNCBQOPCV-LJQANCHMSA-N	0	1	427.438	4.163	1	5		IIBFMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(Br)cc1Br	ZINC000045366913	563133078	/nfs/dbraw/zinc/13/30/78/563133078.db2.gz	MGOABCWEOZZCDP-UHFFFAOYSA-N	0	1	431.040	4.469	1	5		IIBFMN