smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)NCC[NH+]2CCCC2)c2nc3c(C(=O)NCCN4CCCC4)c(N)c(=O)c(C)c-3oc12	ZINC000005124470	552494161	/nfs/dbraw/zinc/49/41/61/552494161.db2.gz	PTJVAAJVVYICLO-UHFFFAOYSA-N	1	1	520.634	2.143	40	5		KEBBMO
O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000026781502	553821195	/nfs/dbraw/zinc/82/11/95/553821195.db2.gz	XWTZRHAEFQVXFF-OAQYLSRUSA-N	1	1	504.543	2.402	40	5		KEBBMO
O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000026781504	553821295	/nfs/dbraw/zinc/82/12/95/553821295.db2.gz	XWTZRHAEFQVXFF-NRFANRHFSA-N	1	1	504.543	2.402	40	5		KEBBMO
O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000028615110	553842761	/nfs/dbraw/zinc/84/27/61/553842761.db2.gz	WCXHPJRNOSBUDI-HXUWFJFHSA-N	1	1	504.543	2.402	40	5		KEBBMO
O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000028615111	553842779	/nfs/dbraw/zinc/84/27/79/553842779.db2.gz	WCXHPJRNOSBUDI-FQEVSTJZSA-N	1	1	504.543	2.402	40	5		KEBBMO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000224581234	571579751	/nfs/dbraw/zinc/57/97/51/571579751.db2.gz	FOXBWIAXDJXRHU-NRFANRHFSA-N	1	1	520.608	2.297	40	5		KEBBMO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000224581286	571579880	/nfs/dbraw/zinc/57/98/80/571579880.db2.gz	FOXBWIAXDJXRHU-OAQYLSRUSA-N	1	1	520.608	2.297	40	5		KEBBMO
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O	ZINC000224582464	571580079	/nfs/dbraw/zinc/58/00/79/571580079.db2.gz	CJJNXZRXMJKZDP-UHFFFAOYSA-N	1	1	520.608	2.298	40	5		KEBBMO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000224748108	571613492	/nfs/dbraw/zinc/61/34/92/571613492.db2.gz	MLEABPQOHOTWTH-NRFANRHFSA-N	1	1	520.608	2.297	40	5		KEBBMO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000224748148	571613487	/nfs/dbraw/zinc/61/34/87/571613487.db2.gz	MLEABPQOHOTWTH-OAQYLSRUSA-N	1	1	520.608	2.297	40	5		KEBBMO
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O	ZINC000224749259	571613593	/nfs/dbraw/zinc/61/35/93/571613593.db2.gz	BWJNOHJYDHWIEE-UHFFFAOYSA-N	1	1	520.608	2.298	40	5		KEBBMO