smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1c(O)ccc(Cl)c1F	ZINC000756381556	1126108265	/nfs/dbraw/zinc/10/82/65/1126108265.db2.gz	HRHSZRIOVROUFQ-CQSZACIVSA-N	0	1	441.684	4.214	20	10		IICDMN
O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1N1CCCCC1	ZINC000734843554	1126106672	/nfs/dbraw/zinc/10/66/72/1126106672.db2.gz	NYZGMPSWLFBTJQ-NQIIRXRSSA-N	0	1	437.462	4.209	20	10		IICDMN
O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1N1CCCCC1	ZINC000734843556	1126106691	/nfs/dbraw/zinc/10/66/91/1126106691.db2.gz	NYZGMPSWLFBTJQ-WIYYLYMNSA-N	0	1	437.462	4.209	20	10		IICDMN
O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1N1CCCCC1	ZINC000734843553	1126106568	/nfs/dbraw/zinc/10/65/68/1126106568.db2.gz	NYZGMPSWLFBTJQ-GHTZIAJQSA-N	0	1	437.462	4.209	20	10		IICDMN
O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1c(O)ccc(Cl)c1F	ZINC000756331767	1126107204	/nfs/dbraw/zinc/10/72/04/1126107204.db2.gz	CFRJIHGAMTUGMZ-HNNXBMFYSA-N	0	1	441.684	4.214	20	10		IICDMN
O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1N1CCCCC1	ZINC000734843555	1126106685	/nfs/dbraw/zinc/10/66/85/1126106685.db2.gz	NYZGMPSWLFBTJQ-RXVVDRJESA-N	0	1	437.462	4.209	20	10		IICDMN
O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1c(O)ccc(Cl)c1F	ZINC000756331769	1126107194	/nfs/dbraw/zinc/10/71/94/1126107194.db2.gz	CFRJIHGAMTUGMZ-OAHLLOKOSA-N	0	1	441.684	4.214	20	10		IICDMN
O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1c(O)ccc(Cl)c1F	ZINC000756381554	1126108267	/nfs/dbraw/zinc/10/82/67/1126108267.db2.gz	HRHSZRIOVROUFQ-AWEZNQCLSA-N	0	1	441.684	4.214	20	10		IICDMN
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(Cl)cc2)cc1	ZINC000040406126	563101298	/nfs/dbraw/zinc/10/12/98/563101298.db2.gz	KYDFMBXPKDAQMV-UHFFFAOYSA-N	0	1	428.897	4.330	20	10		IICDMN