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-])cc4oc1-3)C(C)(C)[C@@H](C)O2	ZINC000013411995	210061655	/nfs/dbraw/zinc/06/16/55/210061655.db2.gz	PLLOTPLQTBKOBW-LLVKDONJSA-N	-2	3	396.439	4.630	1	10		GJCFHL
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc([O-])c1	ZINC000017414003	210209430	/nfs/dbraw/zinc/20/94/30/210209430.db2.gz	PNRJHXQNMQTJEC-KYAFNBKBSA-N	-2	3	391.456	4.699	1	10		GJCFHL
CC(C)=CCc1c([O-])c(O)cc2c([O-])c3c(=O)c4c(cc-3oc21)O[C@@H](C)C4(C)C	ZINC000013412048	212116228	/nfs/dbraw/zinc/11/62/28/212116228.db2.gz	ZYJVDWWKUSJAQY-NSHDSACASA-N	-2	3	396.439	4.630	1	10	in-vivo	GJCFHL
CC(C)=CCc1c([O-])c2c([O-])c3cc(O)c([O-])cc3oc-2c(CC=C(C)C)c1=O	ZINC000014727624	206262588	/nfs/dbraw/zinc/26/25/88/206262588.db2.gz	WOYJYLIGVMHOMK-UHFFFAOYSA-N	-3	3	396.439	4.786	1	10		GJCFHL
CC(C)=CCc1cc2c([O-])c3c(=O)c4c(cc-3oc2c(O)c1[O-])O[C@@H](C)C4(C)C	ZINC000015256075	207050373	/nfs/dbraw/zinc/05/03/73/207050373.db2.gz	IBAHQFUORXONGI-NSHDSACASA-N	-2	3	396.439	4.630	3	10	biogenic,in-vitro	GJCFHL
CC(C)=CCc1cc2c([O-])c3c(=O)c4c(cc-3oc2c(O)c1[O-])O[C@H](C)C4(C)C	ZINC000015256078	207049590	/nfs/dbraw/zinc/04/95/90/207049590.db2.gz	IBAHQFUORXONGI-LLVKDONJSA-N	-2	3	396.439	4.630	3	10		GJCFHL
C[C@H]1C(=O)[C@H](C)[C@H](c2cc(Cl)ccc2[O-])N[C@H]1c1cc(Cl)ccc1[O-]	ZINC000015962806	207068935	/nfs/dbraw/zinc/06/89/35/207068935.db2.gz	YBLSMVRDZNJMBC-UBVDWCKXSA-N	-2	3	380.271	4.632	1	10		GJCFHL
O=C(c1ccccc1)c1ccc2ccc(/C=C/c3ccc(O)c([O-])c3)nc2c1[O-]	ZINC000028463560	207341713	/nfs/dbraw/zinc/34/17/13/207341713.db2.gz	NPMZQOVYGROOGN-UXBLZVDNSA-N	-2	3	383.403	4.753	1	10		GJCFHL