smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](CSc1cc(C[C@H]([NH3+])C(=O)[O-])cc(O)c1O)C(=O)[O-]	ZINC000005783970	181283549	/nfs/dbraw/zinc/28/35/49/181283549.db2.gz	SXISMOAILJWTID-BQBZGAKWSA-N	0	0	316.335	-0.444	10	10	in-vitro	DBCERN
Nc1ccc(CS[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000065734180	184378055	/nfs/dbraw/zinc/37/80/55/184378055.db2.gz	VNOKYKUWHBAQKG-QNWJLWSRSA-N	0	0	301.364	-0.698	10	10	in-vitro	DBCERN
O=C(N1CCOCC1)[n+]1ccc(CCS(=O)(=O)[O-])cc1	ZINC000034065033	374466359	/nfs/dbraw/zinc/46/63/59/374466359.db2.gz	BOPPSXQLPUJZRQ-UHFFFAOYSA-O	0	0	301.344	-0.295	10	10		DBCERN
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2O)[C@H]2C(=O)NC(=O)[C@H]21	ZINC000004602798	297884178	/nfs/dbraw/zinc/88/41/78/297884178.db2.gz	RGJVZKZVBZRDRG-RUMNANIHSA-N	0	0	306.274	-0.526	10	10		DBCERN
Nc1ccc(CS[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000038599790	183003376	/nfs/dbraw/zinc/00/33/76/183003376.db2.gz	VNOKYKUWHBAQKG-NWBUJAPZSA-N	0	0	301.364	-0.698	10	10	in-vitro	DBCERN
Nc1ccc(CS[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000038599796	183003478	/nfs/dbraw/zinc/00/34/78/183003478.db2.gz	VNOKYKUWHBAQKG-MOLYVOAJSA-N	0	0	301.364	-0.698	10	10	in-vitro	DBCERN
Nc1ccc(CS[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000106381067	382246369	/nfs/dbraw/zinc/24/63/69/382246369.db2.gz	VNOKYKUWHBAQKG-FHUSYTEZSA-N	0	0	301.364	-0.698	10	10		DBCERN
NC(=O)CN1CCC(C(=O)NCc2ccc(O)cc2O)CC1	ZINC000091594950	193077753	/nfs/dbraw/zinc/07/77/53/193077753.db2.gz	UKOFYZQHOPEHNU-UHFFFAOYSA-N	0	0	307.350	-0.089	10	10		DBCERN
Nc1ccc(CS[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000044960141	378045674	/nfs/dbraw/zinc/04/56/74/378045674.db2.gz	VNOKYKUWHBAQKG-PJSNJIKXSA-N	0	0	301.364	-0.698	10	10	in-vitro	DBCERN
Nc1ccc(CS[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000065734176	184377889	/nfs/dbraw/zinc/37/78/89/184377889.db2.gz	VNOKYKUWHBAQKG-JZRPKSSGSA-N	0	0	301.364	-0.698	10	10	in-vitro	DBCERN
Nc1ccc(CS[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000106381063	382245685	/nfs/dbraw/zinc/24/56/85/382245685.db2.gz	VNOKYKUWHBAQKG-MLGHIDQZSA-N	0	0	301.364	-0.698	10	10		DBCERN
CN(C)c1ccc(CNC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1	ZINC000184738984	375552867	/nfs/dbraw/zinc/55/28/67/375552867.db2.gz	YJZWWDBNLQXANE-HUUCEWRRSA-N	0	0	307.394	-0.204	10	10		DBCERN
Cn1c(N)c(NC(=O)Cc2ccc(N)cc2)c(=O)n(C)c1=O	ZINC000039125163	183014068	/nfs/dbraw/zinc/01/40/68/183014068.db2.gz	BFNBUPOTHVNFND-UHFFFAOYSA-N	0	0	303.322	-0.570	10	10		DBCERN
Nc1ccc(CS[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000575418074	378627557	/nfs/dbraw/zinc/62/75/57/378627557.db2.gz	VNOKYKUWHBAQKG-RXGFPQBGSA-N	0	0	301.364	-0.698	10	10		DBCERN
Nc1ccc(CS[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000065734178	184378034	/nfs/dbraw/zinc/37/80/34/184378034.db2.gz	VNOKYKUWHBAQKG-KSSYENDESA-N	0	0	301.364	-0.698	10	10	in-vitro	DBCERN
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2O)[C@H]2C(=O)NC(=O)[C@@H]21	ZINC000100133775	193795422	/nfs/dbraw/zinc/79/54/22/193795422.db2.gz	RGJVZKZVBZRDRG-AEISUSGSSA-N	0	0	306.274	-0.526	10	10		DBCERN
CN(C)c1ccc(CNC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1	ZINC000184739004	375553172	/nfs/dbraw/zinc/55/31/72/375553172.db2.gz	YJZWWDBNLQXANE-CABCVRRESA-N	0	0	307.394	-0.204	10	10		DBCERN
Nc1ccc(CS[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000038599793	183003656	/nfs/dbraw/zinc/00/36/56/183003656.db2.gz	VNOKYKUWHBAQKG-VLJOUNFMSA-N	0	0	301.364	-0.698	10	10	in-vitro	DBCERN