smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1OC)C[C@@H]1CCC[N@@H+]1C3	ZINC000004098809	204026692	/nfs/dbraw/zinc/02/66/92/204026692.db2.gz	SSEUDFYBEOIWGF-AWEZNQCLSA-N	1	1	393.483	4.548	40	5	biogenic,in-vitro	GJBBMO
CCOc1ccc(N(CC(=O)c2ccc([N+](=O)[O-])cc2)C2=[NH+]CCCCC2)cc1	ZINC000006870369	206220154	/nfs/dbraw/zinc/22/01/54/206220154.db2.gz	DASVSFDHZSFTEE-UHFFFAOYSA-N	1	1	395.459	4.655	40	5		GJBBMO
CCCC[N@@H+](CCNc1ccc(C)c2sc3ccccc3c(=O)c12)C[C@@H](C)O	ZINC000005837934	204153388	/nfs/dbraw/zinc/15/33/88/204153388.db2.gz	LDKULCXSHMBMDR-QGZVFWFLSA-N	1	1	398.572	4.618	40	5		GJBBMO
CCOc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=[NH+]CCCCC2)cc1	ZINC000006870377	206220473	/nfs/dbraw/zinc/22/04/73/206220473.db2.gz	JALAUVXHWIGLNC-UHFFFAOYSA-N	1	1	395.459	4.655	40	5		GJBBMO
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1OC)C[C@H]1CCC[N@H+]1C3	ZINC000000900098	560179469	/nfs/dbraw/zinc/17/94/69/560179469.db2.gz	YFEPHJVWLFGWKH-CQSZACIVSA-N	1	1	393.483	4.548	40	5	biogenic,in-vitro	GJBBMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCCC[C@@H]2C1	ZINC000004098776	204026453	/nfs/dbraw/zinc/02/64/53/204026453.db2.gz	RSHYSOGXGSUUIJ-OAHLLOKOSA-N	1	1	377.484	4.929	40	5	biogenic,in-vitro	GJBBMO
CCCC[N@@H+](CCNc1ccc(C)c2sc3ccccc3c(=O)c12)C[C@H](C)O	ZINC000004522851	204051350	/nfs/dbraw/zinc/05/13/50/204051350.db2.gz	LDKULCXSHMBMDR-KRWDZBQOSA-N	1	1	398.572	4.618	40	5		GJBBMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCCC[C@H]2C1	ZINC000014947646	221319352	/nfs/dbraw/zinc/31/93/52/221319352.db2.gz	RSHYSOGXGSUUIJ-HNNXBMFYSA-N	1	1	377.484	4.929	40	5		GJBBMO
C[NH+](C)CCCNc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc21	ZINC000005460276	570440735	/nfs/dbraw/zinc/44/07/35/570440735.db2.gz	RWUQBOXMJIIXOZ-DHZHZOJOSA-N	1	1	376.460	4.677	40	5		GJBBMO
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)C1	ZINC000030945837	207377941	/nfs/dbraw/zinc/37/79/41/207377941.db2.gz	FRZKSNBVUYEMCE-CQSZACIVSA-N	1	1	387.867	4.732	40	5		GJBBMO
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1OC)C[C@@H]1CCC[N@H+]1C3	ZINC000000608124	212164037	/nfs/dbraw/zinc/16/40/37/212164037.db2.gz	YFEPHJVWLFGWKH-AWEZNQCLSA-N	1	1	393.483	4.548	40	5	biogenic,in-vitro	GJBBMO
C[NH+](C)CCCNc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)nc2ccccc21	ZINC000017129868	207085435	/nfs/dbraw/zinc/08/54/35/207085435.db2.gz	RWUQBOXMJIIXOZ-FLIBITNWSA-N	1	1	376.460	4.677	40	5		GJBBMO