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([O-])COc1cc2oc3ccccc3c(=O)c2cc1Cl	ZINC000026650410	182448234	/nfs/dbraw/zinc/44/82/34/182448234.db2.gz	NPIAZZURZMIEQW-UHFFFAOYSA-N	-1	0	304.685	3.063	1	5		DGBFRM
Cc1ccc(CNC(=S)c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000058506335	184121016	/nfs/dbraw/zinc/12/10/16/184121016.db2.gz	QVBOLIMKPDLBDG-UHFFFAOYSA-N	-1	0	302.355	3.074	1	5		DGBFRM
CC(=O)c1cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)o1	ZINC000015266816	571738522	/nfs/dbraw/zinc/73/85/22/571738522.db2.gz	GZVRDNACRGJZNW-UHFFFAOYSA-N	-1	0	307.305	3.346	1	5	endogenous,in-man	DGBFRM
COc1cc2cc3oc(C)c(C)c(=O)c3c([O-])c2c(OC)c1	ZINC000039174911	183014983	/nfs/dbraw/zinc/01/49/83/183014983.db2.gz	FZYRENRMDAPHEM-UHFFFAOYSA-N	-1	0	300.310	3.286	1	5	biogenic	DGBFRM
O=C([O-])c1cn2c3ccccc3oc3c(F)c(F)cc(c1=O)c32	ZINC000028979797	182548111	/nfs/dbraw/zinc/54/81/11/182548111.db2.gz	PTXQNFVPFPCIIK-UHFFFAOYSA-N	-1	0	315.231	3.175	1	5		DGBFRM
O=C([O-])Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12	ZINC000103264217	185442883	/nfs/dbraw/zinc/44/28/83/185442883.db2.gz	ACYMPHZSMJTWEL-UHFFFAOYSA-N	-1	0	310.309	3.225	1	5		DGBFRM
O=C([O-])c1c(=O)c2ccccc2oc1-c1ccc([N+](=O)[O-])cc1	ZINC000013820354	181902105	/nfs/dbraw/zinc/90/21/05/181902105.db2.gz	CZQCQZSRCYPNGK-UHFFFAOYSA-N	-1	0	311.249	3.066	1	5		DGBFRM
CC(=O)c1ccc(Nc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000084722750	192461384	/nfs/dbraw/zinc/46/13/84/192461384.db2.gz	QWHZWZNJYQQAIQ-UHFFFAOYSA-N	-1	0	300.270	3.239	1	5		DGBFRM
CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2[C@@H]1C(=O)[O-]	ZINC000005742413	181279182	/nfs/dbraw/zinc/27/91/82/181279182.db2.gz	HQYDQOMEZQRCOO-CQSZACIVSA-N	-1	0	310.305	3.285	1	5		DGBFRM
CCCc1cc(=O)c2c([O-])cc3cc(O)cc(OC)c3c2o1	ZINC000005807483	181285718	/nfs/dbraw/zinc/28/57/18/181285718.db2.gz	POMCQPYWKLKBSX-UHFFFAOYSA-N	-1	0	300.310	3.319	1	5		DGBFRM
COc1ccc2c(c1)cc(C(=O)CC(=O)C(=O)[O-])c1ccccc21	ZINC000096937909	185392894	/nfs/dbraw/zinc/39/28/94/185392894.db2.gz	VNCCGEHHTZEHGO-UHFFFAOYSA-N	-1	0	322.316	3.228	1	5		DGBFRM
O=C(Nc1ccncc1)c1cc(=O)c2ccc3ccccc3c2[n-]1	ZINC000040981184	183154693	/nfs/dbraw/zinc/15/46/93/183154693.db2.gz	GJLJHMNLPIGREG-UHFFFAOYSA-N	-1	0	315.332	3.329	1	5		DGBFRM
O=c1cc([O-])oc2c3ccccc3n(C3CCCCC3)c(=O)c12	ZINC000101474663	193814378	/nfs/dbraw/zinc/81/43/78/193814378.db2.gz	CFFCYJGTJAWIBJ-UHFFFAOYSA-N	-1	0	311.337	3.319	1	5		DGBFRM
O=C([O-])c1ccc2c(c1)nc(-c1cccc(O)c1)c1ncncc21	ZINC000073223824	191295817	/nfs/dbraw/zinc/29/58/17/191295817.db2.gz	VVZPGWDSJQFRRX-UHFFFAOYSA-N	-1	0	317.304	3.249	1	5		DGBFRM
CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2[C@H]1C(=O)[O-]	ZINC000005742257	181279480	/nfs/dbraw/zinc/27/94/80/181279480.db2.gz	HQYDQOMEZQRCOO-AWEZNQCLSA-N	-1	0	310.305	3.285	1	5		DGBFRM
O=C([O-])CCc1nnc2c3ccccc3c3ccccc3c2n1	ZINC000040379674	183058022	/nfs/dbraw/zinc/05/80/22/183058022.db2.gz	HNLIGZMXIHKUPW-UHFFFAOYSA-N	-1	0	303.321	3.348	1	5		DGBFRM
O=C([O-])c1cnc2sccc2c1Nc1ccc([N+](=O)[O-])cc1	ZINC000040835165	183140497	/nfs/dbraw/zinc/14/04/97/183140497.db2.gz	MVCLOFTWEKAXFD-UHFFFAOYSA-N	-1	0	315.310	3.068	1	5		DGBFRM
COc1cc2oc3c(c2cc1OC)c(=O)oc1cc([O-])ccc31	ZINC000014778693	571723820	/nfs/dbraw/zinc/72/38/20/571723820.db2.gz	PKLPURDVDNBFCI-UHFFFAOYSA-N	-1	0	312.277	3.415	1	5	endogenous,in-man	DGBFRM
CCCOc1cccc2c(=O)c3cccc(CC(=O)[O-])c3oc12	ZINC000028771161	182539058	/nfs/dbraw/zinc/53/90/58/182539058.db2.gz	AUEUGUNFRSTUTE-UHFFFAOYSA-N	-1	0	312.321	3.362	1	5		DGBFRM