smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCCC2(C1)OCCO2	ZINC001228974129	803438174	/nfs/dbraw/zinc/43/81/74/803438174.db2.gz	QBGYKDFTRJCDFQ-JTQLQIEISA-N	-2	2	311.290	2.071	20	5		DEBDLL
CCOC(=O)[C@@H]1CC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228974536	803438199	/nfs/dbraw/zinc/43/81/99/803438199.db2.gz	UDFLXIOLJUCRBJ-PSASIEDQSA-N	-2	2	311.290	2.117	20	5		DEBDLL
CCOC(=O)[C@@H]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228974540	803438206	/nfs/dbraw/zinc/43/82/06/803438206.db2.gz	UDFLXIOLJUCRBJ-SCZZXKLOSA-N	-2	2	311.290	2.117	20	5		DEBDLL
Cc1cn2c(n1)[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])CCC2	ZINC001228975249	803438085	/nfs/dbraw/zinc/43/80/85/803438085.db2.gz	YWSGEGUCPGYQHI-LLVKDONJSA-N	-2	2	305.290	2.425	20	5		DEBDLL
COC(=O)[C@H]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228973514	803438148	/nfs/dbraw/zinc/43/81/48/803438148.db2.gz	KBFSFFIBJRHZPF-WPRPVWTQSA-N	-2	2	311.290	2.117	20	5		DEBDLL
O=[N+]([O-])c1c(O)cc(O)cc1OC1CCC2(CC1)OCCO2	ZINC001228968415	803436791	/nfs/dbraw/zinc/43/67/91/803436791.db2.gz	JFLABGSHXHOBRY-UHFFFAOYSA-N	-2	2	311.290	2.071	20	5		DEBDLL
COC(=O)[C@@H]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228973511	803437828	/nfs/dbraw/zinc/43/78/28/803437828.db2.gz	KBFSFFIBJRHZPF-PSASIEDQSA-N	-2	2	311.290	2.117	20	5		DEBDLL
COC(=O)[C@H]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1	ZINC001228972187	803437878	/nfs/dbraw/zinc/43/78/78/803437878.db2.gz	UCZJBNYKBGWCKD-CZMCAQCFSA-N	-2	2	311.290	2.117	20	5		DEBDLL
COC(=O)[C@@H]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228973512	803438181	/nfs/dbraw/zinc/43/81/81/803438181.db2.gz	KBFSFFIBJRHZPF-SCZZXKLOSA-N	-2	2	311.290	2.117	20	5		DEBDLL
COC(=O)C1CCC(Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1	ZINC001228972188	803437703	/nfs/dbraw/zinc/43/77/03/803437703.db2.gz	UCZJBNYKBGWCKD-UHFFFAOYSA-N	-2	2	311.290	2.117	20	5		DEBDLL
COC(=O)[C@H]1CC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1	ZINC001228974523	803438042	/nfs/dbraw/zinc/43/80/42/803438042.db2.gz	UCZJBNYKBGWCKD-WAAGHKOSSA-N	-2	2	311.290	2.117	20	5		DEBDLL
CC(C)CCOC(=O)[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228973509	803437843	/nfs/dbraw/zinc/43/78/43/803437843.db2.gz	JXKJEJNTANBPAM-SECBINFHSA-N	-2	2	313.306	2.363	20	5		DEBDLL
Cc1cn2c(n1)[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])CCC2	ZINC001228975250	803438262	/nfs/dbraw/zinc/43/82/62/803438262.db2.gz	YWSGEGUCPGYQHI-NSHDSACASA-N	-2	2	305.290	2.425	20	5		DEBDLL
O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)c1ccc([N+](=O)[O-])[nH]1	ZINC001470670489	1060126650	/nfs/dbraw/zinc/12/66/50/1060126650.db2.gz	UXMDAUYYBOKTPE-UHFFFAOYSA-N	-2	2	313.273	2.067	20	5		DEBDLL
COC(=O)[C@H]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228973513	803438187	/nfs/dbraw/zinc/43/81/87/803438187.db2.gz	KBFSFFIBJRHZPF-WCBMZHEXSA-N	-2	2	311.290	2.117	20	5		DEBDLL
CCOC(=O)[C@H]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228974550	803437809	/nfs/dbraw/zinc/43/78/09/803437809.db2.gz	UDFLXIOLJUCRBJ-WPRPVWTQSA-N	-2	2	311.290	2.117	20	5		DEBDLL
CCOC(=O)[C@H]1CC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228974546	803438228	/nfs/dbraw/zinc/43/82/28/803438228.db2.gz	UDFLXIOLJUCRBJ-WCBMZHEXSA-N	-2	2	311.290	2.117	20	5		DEBDLL
O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CCCC2(C1)OCCO2	ZINC001228974130	803437680	/nfs/dbraw/zinc/43/76/80/803437680.db2.gz	QBGYKDFTRJCDFQ-SNVBAGLBSA-N	-2	2	311.290	2.071	20	5		DEBDLL
CC(C)CCOC(=O)[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228973510	803438235	/nfs/dbraw/zinc/43/82/35/803438235.db2.gz	JXKJEJNTANBPAM-VIFPVBQESA-N	-2	2	313.306	2.363	20	5		DEBDLL