smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)[O-])CCC(=O)N[O-]	ZINC000036222968	207517110	/nfs/dbraw/zinc/51/71/10/207517110.db2.gz	AJIWAGVQMHGGLI-CGVLYMEPSA-N	-2	3	391.552	5.728	1	30		GKEFHL
CC(C)=CC(=O)C=C(C)CC/C=C(\C)[C@@H](C)c1c([O-])c2ccc([O-])cc2oc1=O	ZINC000015219211	560229592	/nfs/dbraw/zinc/22/95/92/560229592.db2.gz	PTNBQZMCTYXNSQ-BOLNNJBYSA-N	-2	3	396.483	5.516	1	30	in-vitro	GKEFHL
CCCCCCCC(=O)c1c([O-])cc([O-])c(C(=O)CCCCCCC)c1O	ZINC000043409453	205083602	/nfs/dbraw/zinc/08/36/02/205083602.db2.gz	MWRHOPSDZQZVOY-UHFFFAOYSA-N	-2	3	378.509	5.890	1	30		GKEFHL
CC1(C)CCC(C)(C)c2cc(C(=O)C=C([O-])c3ccc(C(=O)[O-])cc3)c([O-])cc21	ZINC000100985953	211394363	/nfs/dbraw/zinc/39/43/63/211394363.db2.gz	LGVRSJKCPCTEND-BKUYFWCQSA-N	-3	3	394.467	5.221	1	30		GKEFHL
C=C[C@](C)(CCC=C(C)C)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000028477814	209180999	/nfs/dbraw/zinc/18/09/99/209180999.db2.gz	QLDAISHJKMTMHF-RUZDIDTESA-N	-2	3	390.479	6.061	1	30		GKEFHL
CC(C)=CCc1cc(C(=O)/C=C/c2ccc(O)cc2)c([O-])c(CC=C(C)C)c1[O-]	ZINC000028975476	207353599	/nfs/dbraw/zinc/35/35/99/207353599.db2.gz	RWWHVUOFLZULHS-NTEUORMPSA-N	-2	3	392.495	5.717	1	30		GKEFHL
C=CC(C)(C)c1c([O-])c(CCC=C(C)C)c(O)c2c1oc1c([O-])cccc1c2=O	ZINC000095485970	291143723	/nfs/dbraw/zinc/14/37/23/291143723.db2.gz	XIGCLAQMCJCYAV-UHFFFAOYSA-N	-2	3	394.467	5.425	1	30	biogenic,in-vitro	GKEFHL
CCCCCCCCCCOc1cccc([O-])c1C(=O)/C=C/c1ccccc1[O-]	ZINC000084668974	222319410	/nfs/dbraw/zinc/31/94/10/222319410.db2.gz	LTPZCBTXNMAZCA-ISLYRVAYSA-N	-2	3	396.527	6.513	1	30		GKEFHL
CC(C)=CC(=O)C=C(C)CC/C=C(\C)[C@H](C)c1c([O-])c2ccc([O-])cc2oc1=O	ZINC000015219208	560229556	/nfs/dbraw/zinc/22/95/56/560229556.db2.gz	PTNBQZMCTYXNSQ-CLJMMVAESA-N	-2	3	396.483	5.516	1	30	in-vitro	GKEFHL
C=C(C)[C@H]1C[C@H](c2c([O-])cc3oc4c([O-])cccc4c(=O)c3c2O)C(C)(C)C1	ZINC000014638121	212098250	/nfs/dbraw/zinc/09/82/50/212098250.db2.gz	AUUIZUXRGRVPCU-GXTWGEPZSA-N	-2	3	380.440	5.159	1	30	in-vitro	GKEFHL
CCCCCCCCOc1cc([O-])cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c12	ZINC000064448243	222071344	/nfs/dbraw/zinc/07/13/44/222071344.db2.gz	OPWMDMCKTJPDAT-UHFFFAOYSA-N	-2	3	398.455	5.316	1	30		GKEFHL
C=CC(C)(C)c1c2c(c([O-])c3c1oc1c([O-])cccc1c3=O)C=CC(C)(C)O2	ZINC000014584515	291143733	/nfs/dbraw/zinc/14/37/33/291143733.db2.gz	VCRGQEOJJJBBNZ-UHFFFAOYSA-N	-2	3	378.424	5.005	1	30	biogenic,in-vitro	GKEFHL
CC(C)=CCC/C(C)=C/Cc1c([O-])ccc(C(=O)/C=C\c2ccc(O)cc2)c1[O-]	ZINC000031394551	291144499	/nfs/dbraw/zinc/14/44/99/291144499.db2.gz	LRSMBOSQWGHYCW-XPFYNQGISA-N	-2	3	392.495	5.935	1	30	biogenic,in-vitro	GKEFHL
C=C[C@@](C)(CCC=C(C)C)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000028477817	209180039	/nfs/dbraw/zinc/18/00/39/209180039.db2.gz	QLDAISHJKMTMHF-VWLOTQADSA-N	-2	3	390.479	6.061	1	30		GKEFHL