smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=C([O-])C=CC1=NNc1ccc(Br)cc1	ZINC000018153861	567876421	/nfs/dbraw/zinc/87/64/21/567876421.db2.gz	JXDXGMHMDHIKCO-CCEZHUSRSA-N	-1	1	293.120	4.276	40	10		CICBMM
O=C1C=C([O-])C=CC1=NNc1ccc(Br)cc1	ZINC000102533699	567915201	/nfs/dbraw/zinc/91/52/01/567915201.db2.gz	JXDXGMHMDHIKCO-PFONDFGASA-N	-1	1	293.120	4.276	40	10		CICBMM
O=[N+]([O-])C1CCC(/N=N\c2c([O-])ccc3ccccc32)CC1	ZINC000104266067	567916617	/nfs/dbraw/zinc/91/66/17/567916617.db2.gz	YWPAVHNETHXVGV-ZCXUNETKSA-N	-1	1	299.330	4.217	40	10		CICBMM
Cc1cc(O)c(N=Nc2ccc(C(=O)[O-])cc2)cc1C	ZINC000013543491	567866318	/nfs/dbraw/zinc/86/63/18/567866318.db2.gz	IRPMNRQJHGUWHK-MSUUIHNZSA-N	-1	1	270.288	4.123	40	10		CICBMM
O=C1[N-]C(=S)C(=Cc2cccc(Cl)c2Cl)S1	ZINC000015057003	567870432	/nfs/dbraw/zinc/87/04/32/567870432.db2.gz	YVZKJKCMDKXVIV-DAXSKMNVSA-N	-1	1	290.196	4.118	40	10		CICBMM
O=[N+]([O-])C1CCC(/N=N/c2c([O-])ccc3ccccc32)CC1	ZINC000016952147	567874076	/nfs/dbraw/zinc/87/40/76/567874076.db2.gz	YWPAVHNETHXVGV-ISLYRVAYSA-N	-1	1	299.330	4.217	40	10		CICBMM