smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000004707526	204066109	/nfs/dbraw/zinc/06/61/09/204066109.db2.gz	RXYPRVAOVPUNSX-FVCCEPFGSA-N	0	0	384.307	-0.514	40	5		GBBBRN
O=[N+]([O-])c1ccc(Cc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000005493255	570613328	/nfs/dbraw/zinc/61/33/28/570613328.db2.gz	JDVXMOKFIDYPPV-CRNXPOROSA-N	0	0	387.352	-0.063	40	5		GBBBRN
O=[N+]([O-])c1ccc(Cc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000005493256	570613344	/nfs/dbraw/zinc/61/33/44/570613344.db2.gz	JDVXMOKFIDYPPV-DPAVQSFQSA-N	0	0	387.352	-0.063	40	5		GBBBRN
O=[N+]([O-])c1ccc(Cc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000005493258	570613490	/nfs/dbraw/zinc/61/34/90/570613490.db2.gz	JDVXMOKFIDYPPV-GUSZCTEKSA-N	0	0	387.352	-0.063	40	5		GBBBRN
O=[N+]([O-])c1ccc(Cc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000005493259	570613412	/nfs/dbraw/zinc/61/34/12/570613412.db2.gz	JDVXMOKFIDYPPV-PWXKEOIMSA-N	0	0	387.352	-0.063	40	5		GBBBRN
Cn1c2nc(NN)n([C@H](O)CCOc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O	ZINC000006444870	570424063	/nfs/dbraw/zinc/42/40/63/570424063.db2.gz	IQAAWSCGPIHELG-SNVBAGLBSA-N	0	0	391.344	-0.423	40	5		GBBBRN
Cn1c2nc(NN)n([C@@H](O)CCOc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O	ZINC000006444873	570424200	/nfs/dbraw/zinc/42/42/00/570424200.db2.gz	IQAAWSCGPIHELG-JTQLQIEISA-N	0	0	391.344	-0.423	40	5		GBBBRN
CC(C)NC(=O)C(=O)NCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000019831514	210299814	/nfs/dbraw/zinc/29/98/14/210299814.db2.gz	MSIKULLMPKMPPX-UHFFFAOYSA-N	0	0	391.428	-0.007	40	5		GBBBRN
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1nonc1N	ZINC000022001222	570776703	/nfs/dbraw/zinc/77/67/03/570776703.db2.gz	OFUWMLBBOLOKKN-UHFFFAOYSA-N	0	0	393.360	-0.206	40	5		GBBBRN
NNS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NN)ccc21	ZINC000095117211	1071896713	/nfs/dbraw/zinc/89/67/13/1071896713.db2.gz	IFXLBEXEDIWSOH-UHFFFAOYSA-N	0	0	384.395	-0.750	40	5		GBBBRN
O=[N+]([O-])N(CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000100930439	530133435	/nfs/dbraw/zinc/13/34/35/530133435.db2.gz	GLYVSDOSFCDOSD-UHFFFAOYSA-N	0	0	379.263	-0.257	40	5		GBBBRN
O=c1ccc2nc3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3oc-2c1	ZINC000104849569	211434537	/nfs/dbraw/zinc/43/45/37/211434537.db2.gz	QULZFZMEBOATFS-JCECYMMASA-N	0	0	375.333	-0.529	40	5		GBBBRN
O=S(=O)([O-])CCCC[N+]12CC[N+](CCCCS(=O)(=O)[O-])(CC1)CC2	ZINC000148036235	530117553	/nfs/dbraw/zinc/11/75/53/530117553.db2.gz	OHIJQEFGWZDXAX-UHFFFAOYSA-P	0	0	386.536	-0.017	40	5		GBBBRN
CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000408616746	533377425	/nfs/dbraw/zinc/37/74/25/533377425.db2.gz	BPKBSWRTHSCPLH-UHFFFAOYSA-N	0	0	386.430	-0.191	40	5		GBBBRN
CC(=O)N[C@@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@H](O)[C@H]1OC(C)=O	ZINC000584578742	570944079	/nfs/dbraw/zinc/94/40/79/570944079.db2.gz	USHWODHGXQXCCH-QXKUPLGCSA-N	0	0	384.341	-0.512	40	5		GBBBRN
CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@H](O)[C@H]1OC(C)=O	ZINC000584578743	570943057	/nfs/dbraw/zinc/94/30/57/570943057.db2.gz	USHWODHGXQXCCH-UVPYHEFZSA-N	0	0	384.341	-0.512	40	5		GBBBRN