smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1OC)[C@@H](CCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC2	ZINC000001999636	204023198	/nfs/dbraw/zinc/02/31/98/204023198.db2.gz	AWDKLHCXDUACLM-GOSISDBHSA-N	1	1	356.422	3.774	10	5		FHBEMO
O=C(C[NH+]1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000143034999	209380410	/nfs/dbraw/zinc/38/04/10/209380410.db2.gz	MVJOXYLTVBZFEP-UHFFFAOYSA-N	1	1	371.412	3.627	10	5		FHBEMO
O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(Br)s2)c(F)cc1F	ZINC000038018319	211354931	/nfs/dbraw/zinc/35/49/31/211354931.db2.gz	GQYGGFNJHRAMGJ-UHFFFAOYSA-N	1	1	363.183	3.987	10	5		FHBEMO
O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Br)cc1	ZINC000165120204	568082248	/nfs/dbraw/zinc/08/22/48/568082248.db2.gz	IILNFOQIYDOAQA-DLBZAZTESA-N	1	1	361.239	3.694	10	5		FHBEMO
C[N@H+]1CCC[C@H]1Cc1c[nH]c2ccc(Nc3ncccc3[N+](=O)[O-])cc12	ZINC000026471377	571308439	/nfs/dbraw/zinc/30/84/39/571308439.db2.gz	YPFIYPNOWVPAPR-HNNXBMFYSA-N	1	1	351.410	3.851	10	5		FHBEMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(CNc1ccc(Br)cc1[N+](=O)[O-])C2	ZINC000038019315	211352683	/nfs/dbraw/zinc/35/26/83/211352683.db2.gz	QDRCUZXEDPCHHZ-VGPLMAKISA-N	1	1	354.248	3.642	10	5		FHBEMO
O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1	ZINC000165119843	570802368	/nfs/dbraw/zinc/80/23/68/570802368.db2.gz	IILNFOQIYDOAQA-IAGOWNOFSA-N	1	1	361.239	3.694	10	5		FHBEMO
O=[N+]([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1	ZINC000165119573	570802306	/nfs/dbraw/zinc/80/23/06/570802306.db2.gz	IILNFOQIYDOAQA-SJORKVTESA-N	1	1	361.239	3.694	10	5		FHBEMO
O=[N+]([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Br)cc1	ZINC000299805311	534878629	/nfs/dbraw/zinc/87/86/29/534878629.db2.gz	IILNFOQIYDOAQA-IRXDYDNUSA-N	1	1	361.239	3.694	10	5		FHBEMO