smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1C(O)(c1ccc(OP(=O)([O-])[O-])cc1)c1ccc(OP(=O)([O-])[O-])cc1	ZINC000206412626	569874677	/nfs/dbraw/zinc/87/46/77/569874677.db2.gz	LTDMWLGNTLHZDN-UHFFFAOYSA-N	-5	0	496.301	2.612	10	0		JFAERL
O=C([O-])c1ccc2c(c1)C(=O)N(Cc1ccc(CN3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc1)C2=O	ZINC000003020402	194208542	/nfs/dbraw/zinc/20/85/42/194208542.db2.gz	ZQVMAEKRHLERHJ-UHFFFAOYSA-N	-2	0	484.420	2.675	10	0		JFAERL
CC[C@H](CSC[C@@H](NC(C)=O)C(=O)[O-])C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl	ZINC000077292188	522286128	/nfs/dbraw/zinc/28/61/28/522286128.db2.gz	FFUBZDLDJQLBLZ-ZYHUDNBSSA-N	-2	0	466.339	2.988	10	0	in-vitro	JFAERL
CC[C@@H](CSC[C@@H](NC(C)=O)C(=O)[O-])C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl	ZINC000077292186	569705555	/nfs/dbraw/zinc/70/55/55/569705555.db2.gz	FFUBZDLDJQLBLZ-CMPLNLGQSA-N	-2	0	466.339	2.988	10	0	in-vitro	JFAERL
Cc1cccc2c1NC(=O)C2(c1ccc(OS(=O)(=O)[O-])cc1)c1ccc(OS(=O)(=O)[O-])cc1	ZINC000004217484	562932855	/nfs/dbraw/zinc/93/28/55/562932855.db2.gz	URNFTLVCQLRCMN-UHFFFAOYSA-N	-2	0	491.499	2.645	10	0	in-man	JFAERL
C[C@]1(CO)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)C[C@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	ZINC000238809458	291489246	/nfs/dbraw/zinc/48/92/46/291489246.db2.gz	UERRXLUEVHKNBY-XLQRJJHLSA-N	-2	0	650.806	2.705	10	0	biogenic	JFAERL
O=C([O-])c1nn(Cc2cccc(Cn3nc(C(=O)[O-])c4ccccc4c3=O)c2)c(=O)c2ccccc21	ZINC000003270487	194258151	/nfs/dbraw/zinc/25/81/51/194258151.db2.gz	XKIDSHYBSKABMY-UHFFFAOYSA-N	-2	0	482.452	2.599	10	0		JFAERL
CCCN(CC(=O)[O-])C(=O)c1cc(I)cc(I)c1[O-]	ZINC000038019983	521558550	/nfs/dbraw/zinc/55/85/50/521558550.db2.gz	BUFWWOVQBVZMLO-UHFFFAOYSA-N	-2	0	489.047	2.538	10	0		JFAERL