smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=C1SC(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)=NC1=O)c1ccc(Br)cc1	ZINC000039869958	569812150	/nfs/dbraw/zinc/81/21/50/569812150.db2.gz	PSVYJPUBAMQORA-DHDCSXOGSA-N	-2	0	461.293	4.318	10	10		JICERL
O=C1c2ncccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000100080253	569752521	/nfs/dbraw/zinc/75/25/21/569752521.db2.gz	GNOVKNAMSGDHAT-QURGRASLSA-N	-2	0	459.461	4.002	10	10		JICERL
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000033420136	526091850	/nfs/dbraw/zinc/09/18/50/526091850.db2.gz	JQIGYUULGQKILM-NDENLUEZSA-N	-3	0	489.509	4.162	10	10		JICERL
CCN(CC)c1ccc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)c(O)c1	ZINC000100388288	569758567	/nfs/dbraw/zinc/75/85/67/569758567.db2.gz	LDQGUZFHJKOWGX-DQRAZIAOSA-N	-2	0	495.535	4.006	10	10		JICERL
O=C([O-])COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	ZINC000033321749	527614902	/nfs/dbraw/zinc/61/49/02/527614902.db2.gz	QZCYEPSXFMAEHS-XGICHPGQSA-N	-2	0	453.209	4.103	10	10		JICERL
O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1	ZINC000033456418	526369032	/nfs/dbraw/zinc/36/90/32/526369032.db2.gz	QSKAFKUWAXSFRR-DEDYPNTBSA-N	-2	0	458.426	4.176	10	10		JICERL