smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCCCNC(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1	ZINC000008811787	562954962	/nfs/dbraw/zinc/95/49/62/562954962.db2.gz	HBMBYKCVPRTBSV-UHFFFAOYSA-N	-1	1	477.583	2.489	10	0		JEAEMM
COc1cc([C@H]2Oc3cc([C@@H]4Oc5cc([O-])cc(O)c5C(=O)[C@H]4O)ccc3O[C@H]2CO)ccc1O	ZINC000103539689	291473213	/nfs/dbraw/zinc/47/32/13/291473213.db2.gz	SEBFKMXJBCUCAI-KTJVCJKDSA-N	-1	1	482.441	2.363	10	0	biogenic,in-vivo	JEAEMM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]CCc1ccc(F)cc1)CN(C(=O)[C@H]1CCCO1)CC2	ZINC000012245614	521788223	/nfs/dbraw/zinc/78/82/23/521788223.db2.gz	DXIRMTCIJGXQLY-QGZVFWFLSA-N	-1	1	496.582	2.259	10	0		JEAEMM
COc1cc([C@H]2Oc3ccc([C@@H]4Oc5cc([O-])cc(O)c5C(=O)[C@H]4O)cc3O[C@@H]2CO)ccc1O	ZINC000014984514	522964233	/nfs/dbraw/zinc/96/42/33/522964233.db2.gz	FDQAOULAVFHKBX-HVHOJJEHSA-N	-1	1	482.441	2.363	10	0		JEAEMM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]Cc1ccccc1)CN(C(=O)c1csnn1)CC2	ZINC000015072368	555871276	/nfs/dbraw/zinc/87/12/76/555871276.db2.gz	OQEMLUTUTHPKJX-UHFFFAOYSA-N	-1	1	478.577	2.063	10	0		JEAEMM
COc1cc([C@H]2Oc3ccc([C@@H]4Oc5cc([O-])cc(O)c5C(=O)[C@H]4O)cc3O[C@H]2CO)ccc1O	ZINC000014984518	522966293	/nfs/dbraw/zinc/96/62/93/522966293.db2.gz	FDQAOULAVFHKBX-KTJVCJKDSA-N	-1	1	482.441	2.363	10	0		JEAEMM
CCc1ccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCOCC4)c(=O)c3c2)cc1	ZINC000006181199	554515584	/nfs/dbraw/zinc/51/55/84/554515584.db2.gz	UIVVVAXXLGKDGE-UHFFFAOYSA-N	-1	1	455.536	2.388	10	0		JEAEMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2)cc1	ZINC000003452148	562927139	/nfs/dbraw/zinc/92/71/39/562927139.db2.gz	HQPNZCYEMFPDKO-UHFFFAOYSA-N	-1	1	459.549	2.373	10	0		JEAEMM
O=C([O-])C[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1CCN1CCN(c2ccccn2)CC1	ZINC000020463429	527630544	/nfs/dbraw/zinc/63/05/44/527630544.db2.gz	HNGLPAXOPIQDGB-SFTDATJTSA-N	-1	1	472.611	2.395	10	0		JEAEMM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]CCc1ccc(F)cc1)CN(C(=O)[C@@H]1CCCO1)CC2	ZINC000012245613	521789849	/nfs/dbraw/zinc/78/98/49/521789849.db2.gz	DXIRMTCIJGXQLY-KRWDZBQOSA-N	-1	1	496.582	2.259	10	0		JEAEMM