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)c1cc(C(=O)[O-])c2cc(C(C)(C)C)cc(C(=O)[O-])c2c1	ZINC000004839523	210294818	/nfs/dbraw/zinc/29/48/18/210294818.db2.gz	MEQDQUOVXTZEBZ-UHFFFAOYSA-N	-2	0	328.408	4.831	50	0		EJAARL
Cc1ccc(-c2oc(-c3ccc(C)cc3)c(C(=O)[O-])c2C(=O)[O-])cc1	ZINC000075260809	564081306	/nfs/dbraw/zinc/08/13/06/564081306.db2.gz	XZIIZBDIZWPABM-UHFFFAOYSA-N	-2	0	336.343	4.627	50	0		EJAARL
CC1=CCC[C@H]2[C@@](C)(CC/C(=C\C(=O)[O-])C(=O)[O-])[C@@H](C)CC[C@]12C	ZINC000031162615	291010929	/nfs/dbraw/zinc/01/09/29/291010929.db2.gz	JJZXZBHVKDHJKT-ATKAFDIMSA-N	-2	0	334.456	4.661	50	0	biogenic	EJAARL
CC1=CCC[C@H]2[C@](C)(CC/C(=C\C(=O)[O-])C(=O)[O-])[C@@H](C)CC[C@]12C	ZINC000253389402	520863270	/nfs/dbraw/zinc/86/32/70/520863270.db2.gz	JJZXZBHVKDHJKT-QAZFFRLASA-N	-2	0	334.456	4.661	50	0	biogenic	EJAARL
O=C([O-])c1cccc(C(=O)[O-])c1N(c1ccccc1)c1ccccc1	ZINC000000185176	563255482	/nfs/dbraw/zinc/25/54/82/563255482.db2.gz	PQIBLDMWPNZYFW-UHFFFAOYSA-N	-2	0	333.343	4.553	50	0		EJAARL
CC1=CCC[C@H]2[C@](C)(CC/C(=C\C(=O)[O-])C(=O)[O-])[C@H](C)CC[C@]12C	ZINC000253389401	564130397	/nfs/dbraw/zinc/13/03/97/564130397.db2.gz	JJZXZBHVKDHJKT-JLPNANHUSA-N	-2	0	334.456	4.661	50	0	biogenic	EJAARL
O=C([O-])CCCCCCCc1ccc(CCCCC(=O)[O-])s1	ZINC000004024939	210102051	/nfs/dbraw/zinc/10/20/51/210102051.db2.gz	RBSQUDBHEKLHCQ-UHFFFAOYSA-N	-2	0	326.458	4.513	50	0	biogenic	EJAARL
CCCCCCn1c2ccc(C(=O)[O-])cc2c2cc(C(=O)[O-])ccc21	ZINC000003633933	210068241	/nfs/dbraw/zinc/06/82/41/210068241.db2.gz	YSDTUGZHSPZEKC-UHFFFAOYSA-N	-2	0	339.391	4.771	50	0		EJAARL
O=C([O-])CCCCCCCCCCCCCCC[P@](=O)([O-])O	ZINC000045074620	563928891	/nfs/dbraw/zinc/92/88/91/563928891.db2.gz	JVXYHUCXFLBBGA-UHFFFAOYSA-N	-2	0	336.409	4.710	50	0		EJAARL
O=C([O-])c1cc(Nc2ccccc2)c(C(=O)[O-])cc1Nc1ccccc1	ZINC000000758690	563362976	/nfs/dbraw/zinc/36/29/76/563362976.db2.gz	ZJQZWNLKRBUEKX-UHFFFAOYSA-N	-2	0	348.358	4.570	50	0		EJAARL
CC(C)(C)c1cc2cc(C(C)(C)C)cc(C(=O)[O-])c2c(C(=O)[O-])c1	ZINC000004984404	210350131	/nfs/dbraw/zinc/35/01/31/210350131.db2.gz	LZAGWQFMZYLKHL-UHFFFAOYSA-N	-2	0	328.408	4.831	50	0		EJAARL
CC1=CCC[C@H]2[C@@](C)(CC/C(=C\C(=O)[O-])C(=O)[O-])[C@H](C)CC[C@]12C	ZINC000031162611	291010882	/nfs/dbraw/zinc/01/08/82/291010882.db2.gz	JJZXZBHVKDHJKT-ODEUJZGCSA-N	-2	0	334.456	4.661	50	0	biogenic	EJAARL