smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000002411249	567113130	/nfs/dbraw/zinc/11/31/30/567113130.db2.gz	JMRPCSKBIXTCFK-UHFFFAOYSA-N	1	1	295.382	4.178	50	5		CIBAMO
CCCC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1	ZINC000055292339	570394197	/nfs/dbraw/zinc/39/41/97/570394197.db2.gz	SDNWPIDSJRCSDG-UHFFFAOYSA-N	1	1	298.386	4.397	50	5		CIBAMO
CCCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000004986768	520420072	/nfs/dbraw/zinc/42/00/72/520420072.db2.gz	LJBNVNDZSDKPFT-UHFFFAOYSA-N	1	1	288.347	4.087	50	5		CIBAMO
CC[NH+](CC)CCNc1ccnc2cc3ccccc3cc21	ZINC000019117447	567877433	/nfs/dbraw/zinc/87/74/33/567877433.db2.gz	UWOLEGVHCLTYCB-UHFFFAOYSA-N	1	1	293.414	4.142	50	5		CIBAMO
Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000015836838	570343884	/nfs/dbraw/zinc/34/38/84/570343884.db2.gz	ZISWQOVLGSCSEW-SFHVURJKSA-N	1	1	296.370	4.240	50	5		CIBAMO
CCCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000023280566	567908673	/nfs/dbraw/zinc/90/86/73/567908673.db2.gz	DAHDLUUMQWRSON-UHFFFAOYSA-N	1	1	288.347	4.087	50	5		CIBAMO
Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000015836841	570343966	/nfs/dbraw/zinc/34/39/66/570343966.db2.gz	ZISWQOVLGSCSEW-GOSISDBHSA-N	1	1	296.370	4.240	50	5		CIBAMO
CCCC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000004986125	520420668	/nfs/dbraw/zinc/42/06/68/520420668.db2.gz	RWSTVYYIDFGAQC-UHFFFAOYSA-N	1	1	288.347	4.087	50	5		CIBAMO