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](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@H](C(=O)[O-])CCC[C@@H]21)CC(=O)[O-]	ZINC000070454404	291013123	/nfs/dbraw/zinc/01/31/23/291013123.db2.gz	NDZGOTBFXVTQGP-ODSSTKGDSA-N	-2	0	338.488	4.821	1	0	biogenic,in-vitro	EJAFRL
CC(C)=CCC/C(=C/CC/C(=C\CCc1ccoc1)C(=O)[O-])C(=O)[O-]	ZINC000015194342	211807150	/nfs/dbraw/zinc/80/71/50/211807150.db2.gz	QZDPUYWKZQBXTJ-HCKUEKJXSA-N	-2	0	346.423	4.761	1	0		EJAFRL
CC1=C(C(=O)[O-])C[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CC[C@H](C)CC(=O)[O-]	ZINC000095910834	291010925	/nfs/dbraw/zinc/01/09/25/291010925.db2.gz	BXKYVIXFZNEZFP-LKHQYBHASA-N	-2	0	336.472	4.741	1	0	biogenic,in-vitro	EJAFRL
C[C@@H](CC[C@]1(C)C2=CCC[C@@](C)(C(=O)[O-])[C@@H]2CC[C@@H]1C)CC(=O)[O-]	ZINC000015266621	571738608	/nfs/dbraw/zinc/73/86/08/571738608.db2.gz	RGUIVLSKJWVPDX-XAZWDOJMSA-N	-2	0	336.472	4.741	1	0	endogenous,in-man	EJAFRL
C[C@H](CC[C@]1(C)C2=CCC[C@@](C)(C(=O)[O-])[C@@H]2CC[C@@H]1C)CC(=O)[O-]	ZINC000015266624	571738501	/nfs/dbraw/zinc/73/85/01/571738501.db2.gz	RGUIVLSKJWVPDX-SENONWEKSA-N	-2	0	336.472	4.741	1	0	endogenous,in-man	EJAFRL
C[C@H](CC[C@@]1(C)C2=CCC[C@@](C)(C(=O)[O-])[C@@H]2CC[C@@H]1C)CC(=O)[O-]	ZINC000015266628	571738419	/nfs/dbraw/zinc/73/84/19/571738419.db2.gz	RGUIVLSKJWVPDX-UFHWLQSSSA-N	-2	0	336.472	4.741	1	0	endogenous,in-man	EJAFRL
C[C@@H](CC[C@@]1(C)C2=CCC[C@@](C)(C(=O)[O-])[C@@H]2CC[C@@H]1C)CC(=O)[O-]	ZINC000015266626	571738547	/nfs/dbraw/zinc/73/85/47/571738547.db2.gz	RGUIVLSKJWVPDX-PHVXBLLWSA-N	-2	0	336.472	4.741	1	0	endogenous,in-man	EJAFRL
C/C(=C\C(=O)[O-])CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)[O-])=CCC[C@H]12	ZINC000013401008	291009551	/nfs/dbraw/zinc/00/95/51/291009551.db2.gz	FMWSHZRIJXQMOO-FHXMSOPHSA-N	-2	0	334.456	4.661	1	0	biogenic,in-vitro	EJAFRL