smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2O)cc1	ZINC000786578220	1126110057	/nfs/dbraw/zinc/11/00/57/1126110057.db2.gz	DEZOZVUKLFQBBJ-OAHLLOKOSA-N	1	2	429.152	3.919	20	10		IHCDLO
Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2O)c1	ZINC000786579273	1126110061	/nfs/dbraw/zinc/11/00/61/1126110061.db2.gz	OFADDLLKGKALJU-OAHLLOKOSA-N	1	2	429.152	3.919	20	10		IHCDLO
OCC1([NH2+]Cc2cc(Br)cc(Br)c2O)Cc2ccccc2C1	ZINC000776175836	1126109439	/nfs/dbraw/zinc/10/94/39/1126109439.db2.gz	VDUQURQECJLXQU-UHFFFAOYSA-N	1	2	427.136	3.537	20	10		IHCDLO
Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O	ZINC000786580255	1126110051	/nfs/dbraw/zinc/11/00/51/1126110051.db2.gz	ZKUFAGNAMHTTIG-OAHLLOKOSA-N	1	2	429.152	3.919	20	10		IHCDLO
OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(Br)c1O	ZINC000776252053	1126109500	/nfs/dbraw/zinc/10/95/00/1126109500.db2.gz	MESRXAXNGSLPNX-AWEZNQCLSA-N	1	2	433.115	3.750	20	10		IHCDLO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)cc(Br)c2O)cc1OC	ZINC001461737111	1126197035	/nfs/dbraw/zinc/19/70/35/1126197035.db2.gz	UDISUGNUJNZVQO-LJQANCHMSA-N	1	2	444.753	3.909	20	10		IHCDLO
OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(Br)c1O	ZINC000776252054	1126109463	/nfs/dbraw/zinc/10/94/63/1126109463.db2.gz	MESRXAXNGSLPNX-CQSZACIVSA-N	1	2	433.115	3.750	20	10		IHCDLO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Cl)cc(Br)c2O)cc1OC	ZINC001461737107	1126196913	/nfs/dbraw/zinc/19/69/13/1126196913.db2.gz	UDISUGNUJNZVQO-IBGZPJMESA-N	1	2	444.753	3.909	20	10		IHCDLO
Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2O)cc1	ZINC000786578218	1126110085	/nfs/dbraw/zinc/11/00/85/1126110085.db2.gz	DEZOZVUKLFQBBJ-HNNXBMFYSA-N	1	2	429.152	3.919	20	10		IHCDLO
Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O	ZINC000786580254	1126109989	/nfs/dbraw/zinc/10/99/89/1126109989.db2.gz	ZKUFAGNAMHTTIG-HNNXBMFYSA-N	1	2	429.152	3.919	20	10		IHCDLO
Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2O)c1	ZINC000786579270	1126110151	/nfs/dbraw/zinc/11/01/51/1126110151.db2.gz	OFADDLLKGKALJU-HNNXBMFYSA-N	1	2	429.152	3.919	20	10		IHCDLO