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)=CCc1c2c(c(O)c3c(=O)c4cc(O)c([O-])cc4oc13)C(C)(C)[C@@H](C)O2	ZINC000013411995	210061651	/nfs/dbraw/zinc/06/16/51/210061651.db2.gz	PLLOTPLQTBKOBW-LLVKDONJSA-N	-1	1	396.439	4.630	1	10		GJCFMM
CC(C)=CCc1c(O)c2c(=O)c3cc(O)c([O-])cc3oc2c2c1OC(C)(C)C=C2	ZINC000013411990	212117241	/nfs/dbraw/zinc/11/72/41/212117241.db2.gz	ZWHLXBWONQGJLD-UHFFFAOYSA-N	-1	1	394.423	4.756	1	10		GJCFMM
CC(C)=CCc1c(O)c([O-])cc2oc3c4c(cc(O)c3c(=O)c21)O[C@H](C)C4(C)C	ZINC000028707606	207346727	/nfs/dbraw/zinc/34/67/27/207346727.db2.gz	GIEMQAXHAKGAAH-LLVKDONJSA-N	-1	1	396.439	4.630	1	10		GJCFMM
CC(C)=CCc1c(O)c2c(O)c3cc(O)c([O-])cc3oc-2c(CC=C(C)C)c1=O	ZINC000014727624	206262582	/nfs/dbraw/zinc/26/25/82/206262582.db2.gz	WOYJYLIGVMHOMK-UHFFFAOYSA-N	-1	1	396.439	4.786	1	10		GJCFMM
CC(C)=CCc1cc2c(=O)c3c(O)c4c(cc3oc2c(O)c1[O-])O[C@@H](C)C4(C)C	ZINC000015256075	207050371	/nfs/dbraw/zinc/05/03/71/207050371.db2.gz	IBAHQFUORXONGI-NSHDSACASA-N	-1	1	396.439	4.630	3	10	biogenic,in-vitro	GJCFMM
CC(C)=CCc1cc2c(=O)c3c(O)c4c(cc3oc2c(O)c1[O-])O[C@H](C)C4(C)C	ZINC000015256078	207049588	/nfs/dbraw/zinc/04/95/88/207049588.db2.gz	IBAHQFUORXONGI-LLVKDONJSA-N	-1	1	396.439	4.630	3	10		GJCFMM
O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1ccc2ccccc2c1[O-]	ZINC000028016269	207333282	/nfs/dbraw/zinc/33/32/82/207333282.db2.gz	ZHBKLXJMTQXZNE-UHFFFAOYSA-N	-1	1	399.446	4.994	1	10		GJCFMM
CC(C)=CCc1c([O-])c(O)cc2c(=O)c3c(O)c4c(cc3oc21)OC(C)(C)C=C4	ZINC000013382721	291139918	/nfs/dbraw/zinc/13/99/18/291139918.db2.gz	PCBFLCFTJOTIAP-UHFFFAOYSA-N	-1	1	394.423	4.756	1	10	biogenic,in-vitro	GJCFMM
CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)C1=NNC(=O)c1ccccc1[O-]	ZINC000013118368	206968627	/nfs/dbraw/zinc/96/86/27/206968627.db2.gz	FXMVWZTXUFSOCC-IZHYLOQSSA-N	-1	1	388.427	4.679	1	10		GJCFMM