smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(CCN(CC(=O)[O-])C(=O)OCC2c3ccccc3-c3ccccc32)CC1	ZINC000725240933	559068059	/nfs/dbraw/zinc/06/80/59/559068059.db2.gz	MLDZRIRXAJOEKU-UHFFFAOYSA-N	-1	1	423.513	2.570	10	0		HFAEMM
C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCO1	ZINC000725240651	559067084	/nfs/dbraw/zinc/06/70/84/559067084.db2.gz	UDIRFHMPLUXBIV-MRXNPFEDSA-N	-1	1	410.470	2.653	10	0		HFAEMM
O=C1[N-]C(=S)N(C=Cc2nc3ccccc3[nH]c2=O)C1=Cc1cccc([N+](=O)[O-])c1	ZINC000048547840	569358820	/nfs/dbraw/zinc/35/88/20/569358820.db2.gz	ARMXCRMAJFAQSH-JMAVEDQASA-N	-1	1	419.422	2.560	10	0		HFAEMM
C[N@H+](CC(=O)[O-])C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCO1	ZINC000725240650	559067098	/nfs/dbraw/zinc/06/70/98/559067098.db2.gz	UDIRFHMPLUXBIV-INIZCTEOSA-N	-1	1	410.470	2.653	10	0		HFAEMM
CCCCC(=O)Nc1cnc(N2CCC(CCN3CCOCC3)CC2)c(C(=O)[O-])c1	ZINC000064978876	569140751	/nfs/dbraw/zinc/14/07/51/569140751.db2.gz	VAIYVIGUNWNDCT-UHFFFAOYSA-N	-1	1	418.538	2.847	10	0		HFAEMM