smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000003930073	194366943	/nfs/dbraw/zinc/36/69/43/194366943.db2.gz	VATVKLJSQQBZTF-SXFAUFNYSA-N	-1	2	476.390	0.151	40	0		JCABLM
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000003930073	194366940	/nfs/dbraw/zinc/36/69/40/194366940.db2.gz	VATVKLJSQQBZTF-SXFAUFNYSA-N	-1	2	476.390	0.151	40	0		JCABLM
CNc1[nH+]c(N)nc(N)c1N1CCN(c2ccc(C(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc2)CC1	ZINC000008652795	522686645	/nfs/dbraw/zinc/68/66/45/522686645.db2.gz	COOLTQKJFAQLAT-OAHLLOKOSA-N	-1	2	486.533	0.447	40	0		JCABLM
CNc1nc(N)[nH+]c(N)c1N1CCN(c2ccc(C(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc2)CC1	ZINC000008652795	522686637	/nfs/dbraw/zinc/68/66/37/522686637.db2.gz	COOLTQKJFAQLAT-OAHLLOKOSA-N	-1	2	486.533	0.447	40	0		JCABLM
CNc1[nH+]c(N)nc(N)c1N1CCN(c2ccc(C(=O)N[C@@H](CCCC(=O)[O-])C(=O)[O-])cc2)CC1	ZINC000031794957	556404792	/nfs/dbraw/zinc/40/47/92/556404792.db2.gz	COOLTQKJFAQLAT-HNNXBMFYSA-N	-1	2	486.533	0.447	40	0		JCABLM
CNc1nc(N)[nH+]c(N)c1N1CCN(c2ccc(C(=O)N[C@@H](CCCC(=O)[O-])C(=O)[O-])cc2)CC1	ZINC000031794957	556404790	/nfs/dbraw/zinc/40/47/90/556404790.db2.gz	COOLTQKJFAQLAT-HNNXBMFYSA-N	-1	2	486.533	0.447	40	0		JCABLM
O=C([O-])c1cccc(C(=O)N2CC3(C2)CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@@H]2C[C@@H](O)C[N@@H+]23)c1	ZINC000514290145	560030017	/nfs/dbraw/zinc/03/00/17/560030017.db2.gz	UNCAGEYEQYSPOY-VQTJNVASSA-N	-1	2	479.489	0.869	40	0	biogenic,in-vitro	JCABLM
O=C([O-])c1cccc(C(=O)N2CC3(C2)CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@@H]2C[C@@H](O)C[N@H+]23)c1	ZINC000514290145	560030016	/nfs/dbraw/zinc/03/00/16/560030016.db2.gz	UNCAGEYEQYSPOY-VQTJNVASSA-N	-1	2	479.489	0.869	40	0	biogenic,in-vitro	JCABLM
O=C([O-])c1cccc(C(=O)N2CC3(C2)CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@H]2C[C@@H](O)C[N@@H+]23)c1	ZINC000514290148	560030239	/nfs/dbraw/zinc/03/02/39/560030239.db2.gz	UNCAGEYEQYSPOY-WOJBJXKFSA-N	-1	2	479.489	0.869	40	0	biogenic,in-vitro	JCABLM
O=C([O-])c1cccc(C(=O)N2CC3(C2)CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@H]2C[C@@H](O)C[N@H+]23)c1	ZINC000514290148	560030237	/nfs/dbraw/zinc/03/02/37/560030237.db2.gz	UNCAGEYEQYSPOY-WOJBJXKFSA-N	-1	2	479.489	0.869	40	0	biogenic,in-vitro	JCABLM