smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@H](CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)c1cccc(F)c1	ZINC000514294174	1066235428	/nfs/dbraw/zinc/23/54/28/1066235428.db2.gz	XCLOQXNECNDHPS-RUZDIDTESA-N	0	1	563.652	2.390	20	5		KEBDMN
CN(C)[C@@H](CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)c1cccc(F)c1	ZINC000514294178	1066235563	/nfs/dbraw/zinc/23/55/63/1066235563.db2.gz	XCLOQXNECNDHPS-VWLOTQADSA-N	0	1	563.652	2.390	20	5		KEBDMN
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000514296536	1066247844	/nfs/dbraw/zinc/24/78/44/1066247844.db2.gz	MYHJRGGJDCDLBE-UHFFFAOYSA-N	0	1	503.581	2.010	20	5		KEBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)c([N+](=O)[O-])c1	ZINC000514299445	1066260341	/nfs/dbraw/zinc/26/03/41/1066260341.db2.gz	GJVWQRTYVFXLJU-NRFANRHFSA-N	0	1	539.699	2.315	20	5		KEBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)CC2)c([N+](=O)[O-])c1	ZINC000514299446	1066260177	/nfs/dbraw/zinc/26/01/77/1066260177.db2.gz	GJVWQRTYVFXLJU-OAQYLSRUSA-N	0	1	539.699	2.315	20	5		KEBDMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2)cc1[N+](=O)[O-]	ZINC000514300963	1066262185	/nfs/dbraw/zinc/26/21/85/1066262185.db2.gz	VFRQBEBWOKKTGL-UHFFFAOYSA-N	0	1	515.592	2.084	20	5		KEBDMN
O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000514377283	1066281290	/nfs/dbraw/zinc/28/12/90/1066281290.db2.gz	QAENYJUWTWDGHJ-DEOSSOPVSA-N	0	1	561.661	2.378	20	5		KEBDMN
O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000514377284	1066281255	/nfs/dbraw/zinc/28/12/55/1066281255.db2.gz	QAENYJUWTWDGHJ-XMMPIXPASA-N	0	1	561.661	2.378	20	5		KEBDMN
CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000514390171	1066318380	/nfs/dbraw/zinc/31/83/80/1066318380.db2.gz	AEOOEKSUKWMRRM-UHFFFAOYSA-N	0	1	503.581	2.022	20	5		KEBDMN
COc1ccc(CN2CCCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[N+](=O)[O-])CC2)cc1	ZINC000514391717	1066337756	/nfs/dbraw/zinc/33/77/56/1066337756.db2.gz	PMBPIOPTVIVELJ-UHFFFAOYSA-N	0	1	503.625	2.252	20	5		KEBDMN
CCS(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1	ZINC000514400793	1066328103	/nfs/dbraw/zinc/32/81/03/1066328103.db2.gz	AJKJJXVQCDJXPG-UHFFFAOYSA-N	0	1	511.578	2.442	20	5		KEBDMN