smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O	ZINC000010450132	569396092	/nfs/dbraw/zinc/39/60/92/569396092.db2.gz	RKJPRAUTKRNLQF-UHFFFAOYSA-N	1	0	414.484	0.972	40	5		HCBBRO
C[NH+]1CCN(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	ZINC000013671982	558853248	/nfs/dbraw/zinc/85/32/48/558853248.db2.gz	RPNASBDYEUGKJT-UHFFFAOYSA-N	1	0	413.500	0.115	40	5		HCBBRO
CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162940	559154356	/nfs/dbraw/zinc/15/43/56/559154356.db2.gz	OFQDKKHJBXHSNR-HZPDHXFCSA-N	1	0	403.439	0.939	40	5		HCBBRO
CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162943	559154388	/nfs/dbraw/zinc/15/43/88/559154388.db2.gz	OFQDKKHJBXHSNR-JKSUJKDBSA-N	1	0	403.439	0.939	40	5		HCBBRO
CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162946	559154427	/nfs/dbraw/zinc/15/44/27/559154427.db2.gz	OFQDKKHJBXHSNR-CVEARBPZSA-N	1	0	403.439	0.939	40	5		HCBBRO
CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162949	559154398	/nfs/dbraw/zinc/15/43/98/559154398.db2.gz	OFQDKKHJBXHSNR-HOTGVXAUSA-N	1	0	403.439	0.939	40	5		HCBBRO
CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801102	521281363	/nfs/dbraw/zinc/28/13/63/521281363.db2.gz	MHBQPFRVTBVDPK-HZPDHXFCSA-N	1	0	403.439	0.939	40	5		HCBBRO
CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801105	521093836	/nfs/dbraw/zinc/09/38/36/521093836.db2.gz	MHBQPFRVTBVDPK-JKSUJKDBSA-N	1	0	403.439	0.939	40	5		HCBBRO
CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801109	521281252	/nfs/dbraw/zinc/28/12/52/521281252.db2.gz	MHBQPFRVTBVDPK-CVEARBPZSA-N	1	0	403.439	0.939	40	5		HCBBRO
CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801113	521092705	/nfs/dbraw/zinc/09/27/05/521092705.db2.gz	MHBQPFRVTBVDPK-HOTGVXAUSA-N	1	0	403.439	0.939	40	5		HCBBRO
C[NH+](C)CCCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O	ZINC000038829055	558816127	/nfs/dbraw/zinc/81/61/27/558816127.db2.gz	GNTLFOBNYQSWGS-UHFFFAOYSA-N	1	0	411.506	0.995	40	5		HCBBRO
COCc1n[nH]c(-n2ccc3nc4ccn(CCC[NH+](C)C)c(=O)c4cc3c2=O)n1	ZINC000040398985	523161923	/nfs/dbraw/zinc/16/19/23/523161923.db2.gz	STCMFIJDGQPRCM-UHFFFAOYSA-N	1	0	409.450	0.917	40	5		HCBBRO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O	ZINC000113936737	569393569	/nfs/dbraw/zinc/39/35/69/569393569.db2.gz	DSVYMODMOFLPBN-UHFFFAOYSA-N	1	0	400.457	0.580	40	5		HCBBRO