smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CC[C@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000030726513	202198502	/nfs/dbraw/zinc/19/85/02/202198502.db2.gz	PDBJJFJKNSKTSW-PFDXPIKNSA-N	-2	0	339.304	-0.883	1	30	endogenous,in-man	EBEFRL
C[C@@H](O)[C@@H](NC1=CC(=O)C(N[C@H](C(=O)[O-])[C@H](C)O)=CC1=O)C(=O)[O-]	ZINC000169371615	206553477	/nfs/dbraw/zinc/55/34/77/206553477.db2.gz	QHXCLHGUXMHBOH-YBDOVUKYSA-N	-2	0	342.304	-0.566	1	30		EBEFRL
O=C([O-])C[C@@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000030726452	560090806	/nfs/dbraw/zinc/09/08/06/560090806.db2.gz	YHGOPYILBIAFGW-MKJCRNHGSA-N	-3	0	326.261	-0.674	1	30	biogenic,in-vitro	EBEFRL
NC(=O)CC[C@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000001531221	571679897	/nfs/dbraw/zinc/67/98/97/571679897.db2.gz	PDBJJFJKNSKTSW-FCOLDMBHSA-N	-3	0	339.304	-0.883	1	30	endogenous,in-man	EBEFRL
NC(=O)CC[C@@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000033829852	571747023	/nfs/dbraw/zinc/74/70/23/571747023.db2.gz	PDBJJFJKNSKTSW-RRHXRTGLSA-N	-2	0	339.304	-0.883	1	30	endogenous,in-man	EBEFRL
O=C([O-])CC[C@@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000033829853	571747192	/nfs/dbraw/zinc/74/71/92/571747192.db2.gz	POYIZOSTYKKRNT-LGYDLNETSA-N	-3	0	340.288	-0.283	1	30	endogenous,in-man	EBEFRL
O=C([O-])CC[C@@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000100400463	560052686	/nfs/dbraw/zinc/05/26/86/560052686.db2.gz	POYIZOSTYKKRNT-VOPPDXEQSA-N	-4	0	340.288	-0.283	1	30	biogenic,in-vitro	EBEFRL
C[C@@H](O)[C@H](NC1=CC(=O)C(N[C@@H](C(=O)[O-])[C@H](C)O)=CC1=O)C(=O)[O-]	ZINC000026737711	212533813	/nfs/dbraw/zinc/53/38/13/212533813.db2.gz	QHXCLHGUXMHBOH-NSYSLMLQSA-N	-2	0	342.304	-0.566	1	30		EBEFRL
NC(=O)CC[C@@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000033829851	571747076	/nfs/dbraw/zinc/74/70/76/571747076.db2.gz	PDBJJFJKNSKTSW-SZPANMFOSA-N	-2	0	339.304	-0.883	1	30	endogenous,in-man	EBEFRL
C[C@@H](O)[C@@H](NC1=CC(=O)C(N[C@@H](C(=O)[O-])[C@H](C)O)=CC1=O)C(=O)[O-]	ZINC000040698681	213370422	/nfs/dbraw/zinc/37/04/22/213370422.db2.gz	QHXCLHGUXMHBOH-RUPVPIPKSA-N	-2	0	342.304	-0.566	1	30		EBEFRL
C/C(=N\NC(=S)N[C@H](CCC(=O)[O-])C(=O)[O-])c1cnccn1	ZINC000005811877	210541246	/nfs/dbraw/zinc/54/12/46/210541246.db2.gz	WFLNUUBKYFZGLG-XUNMKLQISA-N	-2	0	325.350	-0.017	1	30		EBEFRL
O=C([O-])C(CCCCN(O)C(=O)COP(=O)([O-])[O-])C(=O)[O-]	ZINC000073278830	216373195	/nfs/dbraw/zinc/37/31/95/216373195.db2.gz	IDNYLSSKTVUEOB-UHFFFAOYSA-N	-4	0	329.198	-0.731	1	30		EBEFRL
O=C([O-])C[C@@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000103584108	560051504	/nfs/dbraw/zinc/05/15/04/560051504.db2.gz	YHGOPYILBIAFGW-GVWRZHQPSA-N	-3	0	326.261	-0.674	1	30	biogenic,in-vitro	EBEFRL
O=C([O-])C(CC(=O)N(O)CCCCOP(=O)([O-])[O-])C(=O)[O-]	ZINC000073199941	216363430	/nfs/dbraw/zinc/36/34/30/216363430.db2.gz	WYJUBKJLQCPXCV-UHFFFAOYSA-N	-4	0	329.198	-0.731	1	30		EBEFRL
O=C([O-])C1=CC(=CC=[NH+][C@@H](CCCO)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000103556572	560051611	/nfs/dbraw/zinc/05/16/11/560051611.db2.gz	RVPIQBBRHBAQKG-UNMJGMMOSA-N	-2	0	326.305	-0.376	1	30	biogenic,in-vitro	EBEFRL
O=C([O-])CC[C@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000001531223	571680090	/nfs/dbraw/zinc/68/00/90/571680090.db2.gz	POYIZOSTYKKRNT-SDAIQDLQSA-N	-4	0	340.288	-0.283	1	30	endogenous,in-man	EBEFRL
CC[C@H](/N=C1\C[C@](O)(CO)CC(NCC(=O)[O-])=C1OC)C(=O)[O-]	ZINC000535385305	448877188	/nfs/dbraw/zinc/87/71/88/448877188.db2.gz	DUVMGCXBXPYXRR-VSPDGWFBSA-N	-2	0	330.337	-0.660	1	30	in-vitro	EBEFRL
O=C([O-])CC[C@@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000033829854	571747110	/nfs/dbraw/zinc/74/71/10/571747110.db2.gz	POYIZOSTYKKRNT-ASXPTRQXSA-N	-3	0	340.288	-0.283	1	30	endogenous,in-man	EBEFRL
O=C([O-])CC[C@H]([NH+]=CC=C1C=C(C(=O)[O-])N[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000030726518	571742248	/nfs/dbraw/zinc/74/22/48/571742248.db2.gz	POYIZOSTYKKRNT-BUOYKSBGSA-N	-3	0	340.288	-0.283	1	30	endogenous,in-man	EBEFRL