smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000006007540	295802078	/nfs/dbraw/zinc/80/20/78/295802078.db2.gz	ZESOFMKNZLWPSB-FSEMZKDTSA-N	-2	0	337.378	2.059	40	10		EECBRL
O=C([O-])CSc1ccc2c(c1C(=O)[O-])C(=O)c1ccccc1C2=O	ZINC000003845262	462624655	/nfs/dbraw/zinc/62/46/55/462624655.db2.gz	NGSUTKJXKILISW-UHFFFAOYSA-N	-2	0	342.328	2.337	40	10		EECBRL
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1C(=O)[O-]	ZINC000226856666	242117852	/nfs/dbraw/zinc/11/78/52/242117852.db2.gz	FBYFUQZGWSMOTO-UHFFFAOYSA-N	-2	0	337.353	2.208	40	10		EECBRL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\NC(=O)[N-]C3=O)o2)c1	ZINC000002975777	462609444	/nfs/dbraw/zinc/60/94/44/462609444.db2.gz	ZUURVBBHBUXIAZ-WDZFZDKYSA-N	-2	0	332.699	2.479	40	10		EECBRL
O=C(C=C([O-])c1ccccc1)CC([O-])=C1C(=O)c2ccccc2C1=O	ZINC000100478309	219100376	/nfs/dbraw/zinc/10/03/76/219100376.db2.gz	DOFLIVSIPPGUBF-UHFFFAOYSA-N	-2	0	334.327	2.483	40	10		EECBRL
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000013424463	462893252	/nfs/dbraw/zinc/89/32/52/462893252.db2.gz	DVXXSGBRUGVNFD-ZSOIEALJSA-N	-2	0	339.351	2.281	40	10		EECBRL
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408811194	466682867	/nfs/dbraw/zinc/68/28/67/466682867.db2.gz	KQANFLAMSONVSV-AUWJEWJLSA-N	-2	0	339.351	2.281	40	10		EECBRL
C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000006007835	298215568	/nfs/dbraw/zinc/21/55/68/298215568.db2.gz	ZESOFMKNZLWPSB-VSUWBIFXSA-N	-2	0	337.378	2.059	40	10		EECBRL
C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2C(=O)[O-])SC1=S	ZINC000005214747	298215962	/nfs/dbraw/zinc/21/59/62/298215962.db2.gz	UMLMEGCPKUHICP-VSUWBIFXSA-N	-2	0	337.378	2.059	40	10		EECBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3)C2=O)cc1	ZINC000408934237	466684820	/nfs/dbraw/zinc/68/48/20/466684820.db2.gz	DDXWFQRHSCMWLV-GXDHUFHOSA-N	-2	0	336.303	2.051	40	10		EECBRL
O=C([O-])c1cc(-c2ccc(/C=C3\NC(=O)[N-]C3=O)o2)ccc1Cl	ZINC000108538149	463611900	/nfs/dbraw/zinc/61/19/00/463611900.db2.gz	OABSOMWORYWDBO-WDZFZDKYSA-N	-2	0	332.699	2.479	40	10		EECBRL
C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2C(=O)[O-])SC1=S	ZINC000005214746	462650247	/nfs/dbraw/zinc/65/02/47/462650247.db2.gz	UMLMEGCPKUHICP-FSEMZKDTSA-N	-2	0	337.378	2.059	40	10		EECBRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000390835759	467415160	/nfs/dbraw/zinc/41/51/60/467415160.db2.gz	XQBVBQANAKKTIV-UHFFFAOYSA-N	-2	0	336.325	2.304	40	10		EECBRL