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(CO)C(O)=C([O-])[C@@H](O)CO	111461421	571862117	/nfs/dbraw/zinc/86/21/17/571862117.db2.gz	ZJLNMPGCXVVXDR-WVZVXSGGSA-N	-1	3	178.140	-3.169	10	10		AACEHM
O=C(CO)C(O)=C([O-])[C@H](O)CO	111461420	571862548	/nfs/dbraw/zinc/86/25/48/571862548.db2.gz	ZJLNMPGCXVVXDR-WUJLRWPWSA-N	-1	3	178.140	-3.169	10	10		AACEHM
O=C(CO)C(O)=C([O-])[C@@H](O)CO	111461418	571864833	/nfs/dbraw/zinc/86/48/33/571864833.db2.gz	ZJLNMPGCXVVXDR-UCORVYFPSA-N	-1	3	178.140	-3.169	10	10		AACEHM
O=C1C=c2[n-]c(=O)[nH]c2=CC1=O	34108213	572054964	/nfs/dbraw/zinc/05/49/64/572054964.db2.gz	QMPJDJFBALWXAB-UHFFFAOYSA-N	-1	3	164.120	-2.584	10	10		AACEHM
O=C(CO)C(O)=C([O-])[C@H](O)CO	100124170	169320995	/nfs/dbraw/zinc/32/09/95/169320995.db2.gz	ZJLNMPGCXVVXDR-NQXXGFSBSA-N	-1	3	178.140	-3.169	10	10		AACEHM
[O-]c1c[nH]cc1O	105573628	169378047	/nfs/dbraw/zinc/37/80/47/169378047.db2.gz	BHDAVTMCXVRKAS-UHFFFAOYSA-N	-1	3	99.089	-1.272	10	10		AACEHM