smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C(O)=C(C(=O)C(=O)[N-]c1[nH][nH]c(=S)[nH+]1)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O	ZINC000005724011	522744285	/nfs/dbraw/zinc/74/42/85/522744285.db2.gz	NMTNCPWBFOZVBO-MRVPVSSYSA-N	0	2	461.372	-0.728	40	5		JBBBLN
COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc1c2c43	ZINC000072320516	560078006	/nfs/dbraw/zinc/07/80/06/560078006.db2.gz	PNYQFRZBMVRYFC-CGWYSGAGSA-N	0	2	492.389	-0.608	40	5	biogenic,in-vitro	JBBBLN
COC(=O)C(O)=C(C(=O)C(=O)[N-]c1[nH][nH]c(=S)[nH+]1)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O	ZINC000102958646	569829957	/nfs/dbraw/zinc/82/99/57/569829957.db2.gz	NMTNCPWBFOZVBO-QMMMGPOBSA-N	0	2	461.372	-0.316	40	5		JBBBLN