smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000003141768	294975144	/nfs/dbraw/zinc/97/51/44/294975144.db2.gz	OOVOOFWGPOGELA-UHFFFAOYSA-N	-2	3	323.286	0.223	40	10		DCCBHL
Nc1c(S(=O)(=O)[O-])cc([O-])c2c1C(=O)c1ccccc1C2=O	ZINC000005162650	415135019	/nfs/dbraw/zinc/13/50/19/415135019.db2.gz	ZGDOXWZYKDETSP-UHFFFAOYSA-N	-2	3	319.294	0.997	40	10		DCCBHL
C[C@@H]1O[C@H](CC(=O)[O-])C[C@]23O[C@]12C(=O)c1c([O-])cccc1C3=O	ZINC000252506428	416334662	/nfs/dbraw/zinc/33/46/62/416334662.db2.gz	SVGOJJZXRJJDLY-WKRQNYRMSA-N	-2	3	318.281	0.931	40	10	biogenic,in-vitro	DCCBHL
C[C@@](Cc1cc(O)c([O-])c(Br)c1)(NN)C(=O)[O-]	ZINC000065734972	184377983	/nfs/dbraw/zinc/37/79/83/184377983.db2.gz	FHNPUJKHGIKUPC-JTQLQIEISA-N	-2	3	305.128	0.709	40	10	in-vitro	DCCBHL
Nc1cc([O-])c(O)c2c1C(=O)c1c(O)c([O-])cc(N)c1C2=O	ZINC000004821643	395682591	/nfs/dbraw/zinc/68/25/91/395682591.db2.gz	XBVUXRZERLDXMU-UHFFFAOYSA-N	-2	3	302.242	0.449	40	10		DCCBHL
C[C@](Cc1cc(O)c([O-])c(Br)c1)(NN)C(=O)[O-]	ZINC000065734970	184378233	/nfs/dbraw/zinc/37/82/33/184378233.db2.gz	FHNPUJKHGIKUPC-SNVBAGLBSA-N	-2	3	305.128	0.709	40	10	in-vitro	DCCBHL
C[C@@H]1O[C@H](CC(=O)[O-])C[C@@]23O[C@@]12C(=O)c1c([O-])cccc1C3=O	ZINC000014612166	297647741	/nfs/dbraw/zinc/64/77/41/297647741.db2.gz	SVGOJJZXRJJDLY-CDUDELDCSA-N	-2	3	318.281	0.931	40	10	biogenic,in-vitro	DCCBHL
Nc1[nH]c(=O)[n-]c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000016400505	182043812	/nfs/dbraw/zinc/04/38/12/182043812.db2.gz	VFZHMTWNDMLPHO-CCEZHUSRSA-N	-2	3	311.279	0.308	40	10		DCCBHL