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-])c1ccccc1C(=O)c1cc(C(=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000025559438	202133158	/nfs/dbraw/zinc/13/31/58/202133158.db2.gz	SEWRHQDNVREEKT-UHFFFAOYSA-N	-3	0	331.236	1.928	50	5		EDBARL
O=C([O-])COc1cc(OCC(=O)[O-])c2c(c1)oc(=O)c1ccccc12	ZINC000000095441	440798053	/nfs/dbraw/zinc/79/80/53/440798053.db2.gz	KERUOTJRGKPAPL-UHFFFAOYSA-N	-2	0	344.275	1.873	50	5		EDBARL
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000024634904	202118550	/nfs/dbraw/zinc/11/85/50/202118550.db2.gz	DJFLCFMTYUEKSU-UHFFFAOYSA-N	-2	0	326.334	1.452	50	5		EDBARL
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)[N-]C(=O)C(F)(F)F	ZINC000013302063	441156927	/nfs/dbraw/zinc/15/69/27/441156927.db2.gz	ZGAYOJCPMFXFRG-ZETCQYMHSA-N	-2	0	336.222	1.063	50	5		EDBARL
O=C([O-])CCCNc1ccc([N+](=O)[O-])c(NCCCC(=O)[O-])n1	ZINC000004105170	210121114	/nfs/dbraw/zinc/12/11/14/210121114.db2.gz	PNTFSYPTVODFOR-UHFFFAOYSA-N	-2	0	326.309	1.543	50	5		EDBARL
O=[N+]([O-])c1cc([N+](=O)[O-])c2c([O-])c([N+](=O)[O-])cc([N+](=O)[O-])c2c1[O-]	ZINC000068564146	304801219	/nfs/dbraw/zinc/80/12/19/304801219.db2.gz	ZGOJPRKKFZXNKH-UHFFFAOYSA-N	-2	0	340.160	1.884	50	5		EDBARL
O=C([O-])COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000015009229	441193292	/nfs/dbraw/zinc/19/32/92/441193292.db2.gz	HLJNIPMFPFDHFQ-ZZXKWVIFSA-N	-2	0	333.256	1.018	50	5		EDBARL
COC(=O)c1cc(=O)c2cc3c(=O)cc(C(=O)OC)[n-]c3c(C)c2[n-]1	ZINC000039221270	441616488	/nfs/dbraw/zinc/61/64/88/441616488.db2.gz	HFHHGELBOIGGNP-UHFFFAOYSA-N	-2	0	342.307	1.251	50	5		EDBARL
O=C([O-])c1ccc(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])cc1O	ZINC000002978814	440886675	/nfs/dbraw/zinc/88/66/75/440886675.db2.gz	DHBCHJPJSITNEZ-UHFFFAOYSA-N	-2	0	346.251	1.949	50	5		EDBARL
CC(C)(C)OC(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000002379673	440861551	/nfs/dbraw/zinc/86/15/51/440861551.db2.gz	WKOHDYUJJUVBQB-VIFPVBQESA-N	-2	0	326.305	1.821	50	5		EDBARL
COc1cc([N+](=O)[O-])c(C=C(C(=O)[O-])C(=O)[O-])c(OC)c1OC	ZINC000072207480	258064496	/nfs/dbraw/zinc/06/44/96/258064496.db2.gz	UQTIWQXQCQTVLT-UHFFFAOYSA-N	-2	0	327.245	1.173	50	5		EDBARL
O=[N+]([O-])c1cc2c(cccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000001847846	440853518	/nfs/dbraw/zinc/85/35/18/440853518.db2.gz	YDPFPDNDNZUKPL-UHFFFAOYSA-N	-2	0	333.299	1.241	50	5		EDBARL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000183732715	442957476	/nfs/dbraw/zinc/95/74/76/442957476.db2.gz	OWARTLYJRIGKNW-JTQLQIEISA-N	-2	0	349.265	1.942	50	5		EDBARL