smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)c1cccc(F)c1	ZINC000514294174	1066235412	/nfs/dbraw/zinc/23/54/12/1066235412.db2.gz	XCLOQXNECNDHPS-RUZDIDTESA-N	1	0	563.652	2.390	20	5		KEBDRO
C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)c1cccc(F)c1	ZINC000514294178	1066235548	/nfs/dbraw/zinc/23/55/48/1066235548.db2.gz	XCLOQXNECNDHPS-VWLOTQADSA-N	1	0	563.652	2.390	20	5		KEBDRO
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000514296536	1066247830	/nfs/dbraw/zinc/24/78/30/1066247830.db2.gz	MYHJRGGJDCDLBE-UHFFFAOYSA-N	1	0	503.581	2.010	20	5		KEBDRO
O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1NC1CC[NH+](Cc2ccccc2)CC1	ZINC000514296607	1066247306	/nfs/dbraw/zinc/24/73/06/1066247306.db2.gz	MGIAHZLCHRNPBJ-UHFFFAOYSA-N	1	0	503.625	2.282	20	5		KEBDRO
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)CC2)c([N+](=O)[O-])c1	ZINC000514299445	1066260305	/nfs/dbraw/zinc/26/03/05/1066260305.db2.gz	GJVWQRTYVFXLJU-NRFANRHFSA-N	1	0	539.699	2.315	20	5		KEBDRO
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)c([N+](=O)[O-])c1	ZINC000514299446	1066260156	/nfs/dbraw/zinc/26/01/56/1066260156.db2.gz	GJVWQRTYVFXLJU-OAQYLSRUSA-N	1	0	539.699	2.315	20	5		KEBDRO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000514377283	1066281280	/nfs/dbraw/zinc/28/12/80/1066281280.db2.gz	QAENYJUWTWDGHJ-DEOSSOPVSA-N	1	0	561.661	2.378	20	5		KEBDRO
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000514377284	1066281244	/nfs/dbraw/zinc/28/12/44/1066281244.db2.gz	QAENYJUWTWDGHJ-XMMPIXPASA-N	1	0	561.661	2.378	20	5		KEBDRO
C[NH+](C)CCCNS(=O)(=O)c1ccc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c1	ZINC000514381110	1066274263	/nfs/dbraw/zinc/27/42/63/1066274263.db2.gz	XUNOIOUWUVXXAK-HSZRJFAPSA-N	1	0	509.604	2.449	20	5		KEBDRO
C[NH+](C)CCCNS(=O)(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c1	ZINC000514381111	1066274354	/nfs/dbraw/zinc/27/43/54/1066274354.db2.gz	XUNOIOUWUVXXAK-QHCPKHFHSA-N	1	0	509.604	2.449	20	5		KEBDRO
C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c([N+](=O)[O-])c1	ZINC000514382392	1066296120	/nfs/dbraw/zinc/29/61/20/1066296120.db2.gz	MHNIZAZJDMXLGX-UHFFFAOYSA-N	1	0	539.058	2.239	20	5		KEBDRO
CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])cc1	ZINC000514384176	1066299786	/nfs/dbraw/zinc/29/97/86/1066299786.db2.gz	PMBHHKKCVKSLOM-UHFFFAOYSA-N	1	0	527.669	2.467	20	5		KEBDRO
COc1ccc(C[N@@H+]2CCCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[N+](=O)[O-])CC2)cc1	ZINC000514391717	1066337736	/nfs/dbraw/zinc/33/77/36/1066337736.db2.gz	PMBPIOPTVIVELJ-UHFFFAOYSA-N	1	0	503.625	2.252	20	5		KEBDRO