smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](SC(=S)Nc1ccc(Cl)cc1)C(=O)[O-]	ZINC000005641259	170123644	/nfs/dbraw/zinc/12/36/44/170123644.db2.gz	NYQMPMXMLPNTBI-LURJTMIESA-N	-1	2	275.782	3.243	40	0		CGABLM
CC(C)c1cccc(C(C)C)c1OCO[P@@](=O)([O-])O	ZINC000002519740	391915533	/nfs/dbraw/zinc/91/55/33/391915533.db2.gz	QVNNONOFASOXQV-UHFFFAOYSA-N	-1	2	288.280	3.379	40	0	fda	CGABLM
CC(C)c1cccc(C(C)C)c1OCO[P@](=O)([O-])O	ZINC000002519740	391915538	/nfs/dbraw/zinc/91/55/38/391915538.db2.gz	QVNNONOFASOXQV-UHFFFAOYSA-N	-1	2	288.280	3.379	40	0	fda	CGABLM
C[C@@H](SC(=S)Nc1ccc(Cl)cc1)C(=O)[O-]	ZINC000002035296	368444630	/nfs/dbraw/zinc/44/46/30/368444630.db2.gz	NYQMPMXMLPNTBI-ZCFIWIBFSA-N	-1	2	275.782	3.243	40	0		CGABLM
CC(C)CCC[C@H]1CC[C@H](C(=O)[O-])[C@H](C(=O)O)C1	ZINC000045071001	369274358	/nfs/dbraw/zinc/27/43/58/369274358.db2.gz	ZVEOVTRRNBJHNK-SDDRHHMPSA-N	-1	2	256.342	3.014	40	0		CGABLM
O=C(O)C[C@@H](C(=O)[O-])[C@H](Cc1ccccc1)c1ccccc1	ZINC000001600684	304073244	/nfs/dbraw/zinc/07/32/44/304073244.db2.gz	ZUMMDNBGZKMIMO-HZPDHXFCSA-N	-1	2	298.338	3.188	40	0		CGABLM
O=C(O)C[C@H](C(=O)[O-])[C@@H](Cc1ccccc1)c1ccccc1	ZINC000001600685	304081249	/nfs/dbraw/zinc/08/12/49/304081249.db2.gz	ZUMMDNBGZKMIMO-HOTGVXAUSA-N	-1	2	298.338	3.188	40	0		CGABLM
CCC(CCCCCc1ccccc1)(C(=O)[O-])C(=O)O	ZINC000001746961	282307117	/nfs/dbraw/zinc/30/71/17/282307117.db2.gz	UTTHKIPXOSGHQY-UHFFFAOYSA-N	-1	2	278.348	3.355	40	0		CGABLM
CC(C)CCC[C@H]1CC[C@@H](C(=O)[O-])[C@H](C(=O)O)C1	ZINC000045071005	369275118	/nfs/dbraw/zinc/27/51/18/369275118.db2.gz	ZVEOVTRRNBJHNK-QJPTWQEYSA-N	-1	2	256.342	3.014	40	0		CGABLM
Cc1ccccc1CSc1ncccc1C(=O)[O-]	ZINC000000215841	368317649	/nfs/dbraw/zinc/31/76/49/368317649.db2.gz	QROCPVGUUCAYTB-UHFFFAOYSA-N	-1	2	259.330	3.381	40	0		CGABLM
O=C(O)CC(C(=O)[O-])C(Cc1ccccc1)c1ccccc1	ZINC000001600686	304081481	/nfs/dbraw/zinc/08/14/81/304081481.db2.gz	ZUMMDNBGZKMIMO-CVEARBPZSA-N	-1	2	298.338	3.188	40	0		CGABLM
O=C([O-])C(CCc1ccccc1)(Cc1ccccc1)C(=O)O	ZINC000001718236	169749543	/nfs/dbraw/zinc/74/95/43/169749543.db2.gz	XYBNDXXYFHIXKH-UHFFFAOYSA-N	-1	2	298.338	3.018	40	0		CGABLM
Fc1c(F)c(F)c(NC(=S)[S-])c(F)c1F	ZINC000002383380	344857356	/nfs/dbraw/zinc/85/73/56/344857356.db2.gz	ALVXHOHWZKQOBR-UHFFFAOYSA-N	-1	2	259.224	3.009	40	0		CGABLM
O=C(O)C[C@@H](C(=O)[O-])[C@@H](Cc1ccccc1)c1ccccc1	ZINC000001600683	368422441	/nfs/dbraw/zinc/42/24/41/368422441.db2.gz	ZUMMDNBGZKMIMO-JKSUJKDBSA-N	-1	2	298.338	3.188	40	0		CGABLM
CC(C)(CC(=O)[O-])c1cc(Cl)c(O)c(Cl)c1	ZINC000085398512	179050697	/nfs/dbraw/zinc/05/06/97/179050697.db2.gz	XNTWMOGQXPIFNQ-UHFFFAOYSA-N	-1	2	263.120	3.451	40	0		CGABLM