smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000514291704	1059200947	/nfs/dbraw/zinc/20/09/47/1059200947.db2.gz	FPXRYIWQXJIOST-HHHXNRCGSA-N	1	0	571.700	2.785	20	5		KFBDRO
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000514291705	1059200776	/nfs/dbraw/zinc/20/07/76/1059200776.db2.gz	FPXRYIWQXJIOST-MHZLTWQESA-N	1	0	571.700	2.785	20	5		KFBDRO
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000514296128	1059101401	/nfs/dbraw/zinc/10/14/01/1059101401.db2.gz	JWYYDUNTRMKZPZ-UHFFFAOYSA-N	1	0	538.026	2.663	20	5		KFBDRO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000514298076	1059140163	/nfs/dbraw/zinc/14/01/63/1059140163.db2.gz	XRZIZAAAIBZSRF-UHFFFAOYSA-N	1	0	571.700	2.613	20	5		KFBDRO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1	ZINC000514298631	1059159572	/nfs/dbraw/zinc/15/95/72/1059159572.db2.gz	DETIRGZLMZAPPB-UHFFFAOYSA-N	1	0	547.634	2.806	20	5		KFBDRO
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c([N+](=O)[O-])c1	ZINC000514304685	1059213419	/nfs/dbraw/zinc/21/34/19/1059213419.db2.gz	WJYJRJFIKSGLBM-HSZRJFAPSA-N	1	0	534.635	2.966	20	5		KFBDRO
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c([N+](=O)[O-])c1	ZINC000514304686	1059213520	/nfs/dbraw/zinc/21/35/20/1059213520.db2.gz	WJYJRJFIKSGLBM-QHCPKHFHSA-N	1	0	534.635	2.966	20	5		KFBDRO
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1	ZINC000514304846	1059213318	/nfs/dbraw/zinc/21/33/18/1059213318.db2.gz	ZXGWLFYFWMVTNT-UHFFFAOYSA-N	1	0	534.635	2.747	20	5		KFBDRO
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1	ZINC000514380060	1059278158	/nfs/dbraw/zinc/27/81/58/1059278158.db2.gz	ICUGGXDDNPQUOC-UHFFFAOYSA-N	1	0	549.675	2.732	20	5		KFBDRO
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c([N+](=O)[O-])c1	ZINC000514382565	1059295215	/nfs/dbraw/zinc/29/52/15/1059295215.db2.gz	PZHDGUSLXNCRGW-UHFFFAOYSA-N	1	0	519.624	2.785	20	5		KFBDRO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000514382566	1059295766	/nfs/dbraw/zinc/29/57/66/1059295766.db2.gz	QAXONJFOODZVSU-UHFFFAOYSA-N	1	0	560.677	2.526	20	5		KFBDRO
O=C(NC1CC[NH+](C2CC2)CC1)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000514402970	1059368828	/nfs/dbraw/zinc/36/88/28/1059368828.db2.gz	UUHSFLKADLQLMA-DEOSSOPVSA-N	1	0	511.604	2.709	20	5		KFBDRO
O=C(NC1CC[NH+](C2CC2)CC1)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000514402972	1059368914	/nfs/dbraw/zinc/36/89/14/1059368914.db2.gz	UUHSFLKADLQLMA-XMMPIXPASA-N	1	0	511.604	2.709	20	5		KFBDRO
O=C(NC1CC[NH+](C2CC2)CC1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000514404523	1059419109	/nfs/dbraw/zinc/41/91/09/1059419109.db2.gz	GKWBYLQNPSBVMS-UHFFFAOYSA-N	1	0	519.668	2.729	20	5		KFBDRO