smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cccc([N+](=O)[O-])c1)c1c(=O)oc2ccccc2c1[O-]	ZINC000001720844	180891774	/nfs/dbraw/zinc/89/17/74/180891774.db2.gz	FYSYPWRPGWJXNS-UHFFFAOYSA-N	-1	0	311.249	2.638	1	5		DFBFRM
O=c1cc([O-])oc2c3ccccc3n(-c3ccccc3)c(=O)c12	ZINC000018037896	182090516	/nfs/dbraw/zinc/09/05/16/182090516.db2.gz	NKFOCHSBAZWDDK-UHFFFAOYSA-N	-1	0	305.289	2.803	1	5		DFBFRM
COc1cc(C)cc2oc3ccc(O)c(C(=O)[O-])c3c(=O)c12	ZINC000013335389	560214606	/nfs/dbraw/zinc/21/46/06/560214606.db2.gz	BQOVQGSBHRLTFG-UHFFFAOYSA-N	-1	0	300.266	2.667	1	5	biogenic,in-vitro	DFBFRM
C/C(=C\Cc1cccc2nc3cccc(C(=O)[O-])c3nc12)CO	ZINC000169312184	197740032	/nfs/dbraw/zinc/74/00/32/197740032.db2.gz	VJNPRSAWVPWWEV-DHZHZOJOSA-N	-1	0	308.337	2.962	1	5		DFBFRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1C	ZINC000006556318	181354012	/nfs/dbraw/zinc/35/40/12/181354012.db2.gz	HLMSNQZZJAMDED-UHFFFAOYSA-N	-1	0	316.342	2.814	3	5		DFBFRM
Cc1c(C)c2c(cc1[N+](=O)[O-])-c1ccccc1S(=O)(=O)[N-]2	ZINC000005332466	181230232	/nfs/dbraw/zinc/23/02/32/181230232.db2.gz	LEXULKZIGADREQ-UHFFFAOYSA-N	-1	0	304.327	2.993	2	5		DFBFRM
Cc1c(N(C)C)ccc2c(=O)c3cccc(CC(=O)[O-])c3oc12	ZINC000150593676	186056711	/nfs/dbraw/zinc/05/67/11/186056711.db2.gz	FDRZJJVCYSGCRL-UHFFFAOYSA-N	-1	0	311.337	2.948	1	5		DFBFRM
O=C([O-])CNC(=O)c1c2[nH]c3ccccc3c2nc2ccccc21	ZINC000029125028	182552895	/nfs/dbraw/zinc/55/28/95/182552895.db2.gz	DZWKPYJEQQOXAZ-UHFFFAOYSA-N	-1	0	319.320	2.684	1	5		DFBFRM
O=C([O-])c1cc(NCC(=O)c2ccccc2)ccc1[N+](=O)[O-]	ZINC000086862334	426260561	/nfs/dbraw/zinc/26/05/61/426260561.db2.gz	SUQJOVAEMPEBPS-UHFFFAOYSA-N	-1	0	300.270	2.588	2	5		DFBFRM
O=C([O-])[C@H]1Cc2c(c(Cl)cc3c(=O)c4ccccc4oc23)O1	ZINC000026656340	182449138	/nfs/dbraw/zinc/44/91/38/182449138.db2.gz	MSXGSJANHGKCOA-GFCCVEGCSA-N	-1	0	316.696	2.988	1	5		DFBFRM
O=C([O-])[C@@H]1Cc2c(c(Cl)cc3c(=O)c4ccccc4oc23)O1	ZINC000026656335	182449214	/nfs/dbraw/zinc/44/92/14/182449214.db2.gz	MSXGSJANHGKCOA-LBPRGKRZSA-N	-1	0	316.696	2.988	1	5		DFBFRM
CCCCc1ccc2oc3nc(N)c(C(=O)[O-])cc3c(=O)c2c1	ZINC000027636763	182483808	/nfs/dbraw/zinc/48/38/08/182483808.db2.gz	ZEXLQJRINFSXNO-UHFFFAOYSA-N	-1	0	312.325	2.964	1	5		DFBFRM
O=C([O-])[C@H]1Cc2cc3c(=O)c4ccccc4oc3c(Cl)c2O1	ZINC000026650543	182448449	/nfs/dbraw/zinc/44/84/49/182448449.db2.gz	FMKFPCKVSFHDTI-LLVKDONJSA-N	-1	0	316.696	2.988	1	5		DFBFRM