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([O-])CC[C@H](N/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1)C(=O)[O-]	ZINC000050647909	205178950	/nfs/dbraw/zinc/17/89/50/205178950.db2.gz	PTPDWQVPUIUAQE-HNNXBMFYSA-N	-2	0	367.365	3.136	1	10		FGCFRL
O=C([O-])c1ccc(NN=C2C=C(S(=O)(=O)[O-])c3cccnc3C2=O)cc1	ZINC000005581333	204217707	/nfs/dbraw/zinc/21/77/07/204217707.db2.gz	LUWSVZRGAVETOB-VHEBQXMUSA-N	-2	0	373.346	3.301	1	10		FGCFRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccccc1	ZINC000169325501	206250574	/nfs/dbraw/zinc/25/05/74/206250574.db2.gz	XPYGCIDJTGXMIH-ISLYRVAYSA-N	-2	0	358.379	3.136	1	10		FGCFRL
O=C([O-])c1cc2ccc(O)c3oc4cc(O)c(O)cc4c(c1C(=O)[O-])c23	ZINC000059587126	291073498	/nfs/dbraw/zinc/07/34/98/291073498.db2.gz	QOTFGJCGDWMTEX-UHFFFAOYSA-N	-2	0	354.270	3.252	1	10	biogenic,in-vitro	FGCFRL
CC1=NC(=NNc2ccc(C(=O)[O-])cc2)C(CCC(=O)[O-])=C(C=O)C1=O	ZINC000096258387	222103961	/nfs/dbraw/zinc/10/39/61/222103961.db2.gz	UWCDFHGYLDKCRS-FMQUCBEESA-N	-2	0	357.322	3.039	1	10		FGCFRL
O=C([O-])CC[C@@H](N/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1)C(=O)[O-]	ZINC000001660386	210364284	/nfs/dbraw/zinc/36/42/84/210364284.db2.gz	PTPDWQVPUIUAQE-OAHLLOKOSA-N	-2	0	367.365	3.136	1	10		FGCFRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccccc1	ZINC000169325500	206250275	/nfs/dbraw/zinc/25/02/75/206250275.db2.gz	XPYGCIDJTGXMIH-ZCXUNETKSA-N	-2	0	358.379	3.136	1	10		FGCFRL