smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100781439	571835310	/nfs/dbraw/zinc/83/53/10/571835310.db2.gz	VNCQCPQAMDQEBY-SWTLLTDLSA-N	-2	0	362.422	2.255	1	30	endogenous,in-man	FEEFRL
O=C([O-])c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\[O-]	ZINC000043018834	205100011	/nfs/dbraw/zinc/10/00/11/205100011.db2.gz	MSZXJFYAHHNIOR-HKWRFOASSA-N	-2	0	372.308	2.116	1	30		FEEFRL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100784201	571841559	/nfs/dbraw/zinc/84/15/59/571841559.db2.gz	DBFXNHHIIKEXPP-HDDUHFLVSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)C[C@H](O)C[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100784202	571841627	/nfs/dbraw/zinc/84/16/27/571841627.db2.gz	DBFXNHHIIKEXPP-APJGWMMDSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)C[C@@H](O)C[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100784196	571841631	/nfs/dbraw/zinc/84/16/31/571841631.db2.gz	DBFXNHHIIKEXPP-XPMCPDPBSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C[C@H]1CCC(N=Nc2cc(Cl)ccc2[O-])c2ncc(C(=O)[O-])c(=O)n21	ZINC000040640695	205074101	/nfs/dbraw/zinc/07/41/01/205074101.db2.gz	QZXBQMNTUAHQPZ-XQWREMRISA-N	-2	0	362.773	2.472	1	30		FEEFRL
C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256565	571737941	/nfs/dbraw/zinc/73/79/41/571737941.db2.gz	GWJAUARFGPKLMT-NHIVMBIUSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C=CCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c21	ZINC000029546070	206753379	/nfs/dbraw/zinc/75/33/79/206753379.db2.gz	IEFRSXAYUBOANV-UHFFFAOYSA-N	-2	0	369.329	2.253	1	30		FEEFRL
C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000071755733	571780388	/nfs/dbraw/zinc/78/03/88/571780388.db2.gz	VNCQCPQAMDQEBY-SXFTZYMTSA-N	-2	0	362.422	2.255	1	30	endogenous,in-man	FEEFRL
C[C@@H]1CCC(N=Nc2cc(Cl)ccc2[O-])c2ncc(C(=O)[O-])c(=O)n21	ZINC000101177393	209221937	/nfs/dbraw/zinc/22/19/37/209221937.db2.gz	QZXBQMNTUAHQPZ-AGIVMUTNSA-N	-2	0	362.773	2.472	1	30		FEEFRL
C[C@H]1CCC(N=Nc2cc(Cl)ccc2[O-])c2ncc(C(=O)[O-])c(=O)n21	ZINC000101177404	222265684	/nfs/dbraw/zinc/26/56/84/222265684.db2.gz	QZXBQMNTUAHQPZ-BJTBEYEDSA-N	-2	0	362.773	2.472	1	30		FEEFRL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100784198	571841663	/nfs/dbraw/zinc/84/16/63/571841663.db2.gz	DBFXNHHIIKEXPP-JXYPSQHXSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256558	571737986	/nfs/dbraw/zinc/73/79/86/571737986.db2.gz	GWJAUARFGPKLMT-RWSANZMKSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256562	571737869	/nfs/dbraw/zinc/73/78/69/571737869.db2.gz	GWJAUARFGPKLMT-RGOUDYHGSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000071755730	571780481	/nfs/dbraw/zinc/78/04/81/571780481.db2.gz	VNCQCPQAMDQEBY-WWMKNXIWSA-N	-2	0	362.422	2.255	1	30	endogenous,in-man	FEEFRL
C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256543	571737383	/nfs/dbraw/zinc/73/73/83/571737383.db2.gz	PIKIDCPJSQIMHW-RQRFZDHTSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256555	571737774	/nfs/dbraw/zinc/73/77/74/571737774.db2.gz	GWJAUARFGPKLMT-IYOSDPFYSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)C[C@H](O)C[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]	ZINC000059066632	291047836	/nfs/dbraw/zinc/04/78/36/291047836.db2.gz	DBFXNHHIIKEXPP-JOJUGDBLSA-N	-2	0	364.438	2.046	1	30	biogenic,in-vitro	FEEFRL
C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256546	571737640	/nfs/dbraw/zinc/73/76/40/571737640.db2.gz	PIKIDCPJSQIMHW-QSAFDNQXSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100781437	222253341	/nfs/dbraw/zinc/25/33/41/222253341.db2.gz	VNCQCPQAMDQEBY-TVUVOYQLSA-N	-2	0	362.422	2.255	1	30	endogenous,in-man	FEEFRL
C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256552	571737769	/nfs/dbraw/zinc/73/77/69/571737769.db2.gz	PIKIDCPJSQIMHW-APJGWMMDSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256549	571737623	/nfs/dbraw/zinc/73/76/23/571737623.db2.gz	PIKIDCPJSQIMHW-HDDUHFLVSA-N	-2	0	364.438	2.046	1	30	endogenous,in-man	FEEFRL
O=C([O-])C1=CC(=NNc2ccc3cc(S(=O)(=O)[O-])ccc3c2)C=CC1=O	ZINC000017147797	220207422	/nfs/dbraw/zinc/20/74/22/220207422.db2.gz	SGMVCMZJQUBGOB-UYRXBGFRSA-N	-2	0	372.358	2.004	2	30		FEEFRL