smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC/C(=C(/c1ccc(OCC(=O)[O-])cc1)c1cccc([O-])c1)c1ccccc1	ZINC000000538602	219304629	/nfs/dbraw/zinc/30/46/29/219304629.db2.gz	CAPHKVMHGPLJRK-ZNTNEXAZSA-N	-2	3	374.436	5.225	1	0		FKAFHL
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](C(=O)[O-])P(=O)([O-])[O-]	ZINC000001887054	210373397	/nfs/dbraw/zinc/37/33/97/210373397.db2.gz	ZGQGOYOQFWFRGW-ANFLJRJNSA-N	-3	3	372.442	5.207	1	0		FKAFHL
CC(C)=CCC/C(C)=C/Cc1c(O)cc([O-])c(C(=O)c2ccccc2)c1[O-]	ZINC000003596266	560189034	/nfs/dbraw/zinc/18/90/34/560189034.db2.gz	ZAIQNYMNZNXUAF-FOWTUZBSSA-N	-2	3	366.457	5.270	1	0	in-vitro	FKAFHL
CC(C)=CCc1c([O-])cccc1C(=O)c1cc2c(cc1[O-])OC(C)(C)C=C2	ZINC000013411963	560216563	/nfs/dbraw/zinc/21/65/63/560216563.db2.gz	KOJDUQIWHNYJEM-UHFFFAOYSA-N	-2	3	364.441	5.022	1	0	biogenic,in-vitro	FKAFHL
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H](C(=O)[O-])P(=O)([O-])[O-]	ZINC000013742108	211055572	/nfs/dbraw/zinc/05/55/72/211055572.db2.gz	ZGQGOYOQFWFRGW-UTWGVSKESA-N	-3	3	372.442	5.207	1	0		FKAFHL
CC(C)=CCc1c([O-])c(C(=O)c2ccccc2)c([O-])c(CC=C(C)C)c1O	ZINC000014780686	291087026	/nfs/dbraw/zinc/08/70/26/291087026.db2.gz	DGDGUAUJFQUJRX-UHFFFAOYSA-N	-2	3	366.457	5.052	1	0	biogenic,in-vitro	FKAFHL
O=C(c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)s1)c1cccc([O-])c1	ZINC000064446915	212036462	/nfs/dbraw/zinc/03/64/62/212036462.db2.gz	KEJQMTAEAKWJLB-UHFFFAOYSA-N	-2	3	364.344	5.076	1	0		FKAFHL
O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1[S-]	ZINC000102173604	222291218	/nfs/dbraw/zinc/29/12/18/222291218.db2.gz	LBWCJPOMUSUYBQ-UHFFFAOYSA-N	-2	3	371.767	5.274	1	0		FKAFHL