smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000061003679	279099743	/nfs/dbraw/zinc/09/97/43/279099743.db2.gz	ILOUMYAIHDODGM-UHFFFAOYSA-N	2	2	299.802	3.070	10	5		CGBELP
CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000040502591	369158335	/nfs/dbraw/zinc/15/83/35/369158335.db2.gz	RUKCEQSBILAEPQ-HOCLYGCPSA-N	2	2	291.395	3.120	10	5		CGBELP
CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000040502591	369158337	/nfs/dbraw/zinc/15/83/37/369158337.db2.gz	RUKCEQSBILAEPQ-HOCLYGCPSA-N	2	2	291.395	3.120	10	5		CGBELP
CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000040502589	369158407	/nfs/dbraw/zinc/15/84/07/369158407.db2.gz	RUKCEQSBILAEPQ-ZBFHGGJFSA-N	2	2	291.395	3.120	10	5		CGBELP
CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000040502589	369158409	/nfs/dbraw/zinc/15/84/09/369158409.db2.gz	RUKCEQSBILAEPQ-ZBFHGGJFSA-N	2	2	291.395	3.120	10	5		CGBELP
CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000040502590	369157769	/nfs/dbraw/zinc/15/77/69/369157769.db2.gz	RUKCEQSBILAEPQ-GDBMZVCRSA-N	2	2	291.395	3.120	10	5		CGBELP
CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000040502590	369157774	/nfs/dbraw/zinc/15/77/74/369157774.db2.gz	RUKCEQSBILAEPQ-GDBMZVCRSA-N	2	2	291.395	3.120	10	5		CGBELP
CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000040502592	369158419	/nfs/dbraw/zinc/15/84/19/369158419.db2.gz	RUKCEQSBILAEPQ-GOEBONIOSA-N	2	2	291.395	3.120	10	5		CGBELP
CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000040502592	369158420	/nfs/dbraw/zinc/15/84/20/369158420.db2.gz	RUKCEQSBILAEPQ-GOEBONIOSA-N	2	2	291.395	3.120	10	5		CGBELP