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-])CCCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001557952	230366920	/nfs/dbraw/zinc/36/69/20/230366920.db2.gz	VRPPKZLUGZULNT-YFKPBYRVSA-N	-1	2	294.518	1.883	40	5		CDBBLM
O=[N+]([O-])c1cc(S(=O)(=O)[O-])c2cccnc2c1O	ZINC000031750580	391376255	/nfs/dbraw/zinc/37/62/55/391376255.db2.gz	QSIZKIGPOVCSFN-UHFFFAOYSA-N	-1	2	270.222	1.095	40	5		CDBBLM
CN(C)c1cc([N+](=O)[O-])ccc1O[P@@](=O)([O-])O	ZINC000002517023	355972562	/nfs/dbraw/zinc/97/25/62/355972562.db2.gz	PZMJLAMSOBSEEJ-UHFFFAOYSA-N	-1	2	262.158	1.132	40	5		CDBBLM
CN(C)c1cc([N+](=O)[O-])ccc1O[P@](=O)([O-])O	ZINC000002517023	355972563	/nfs/dbraw/zinc/97/25/63/355972563.db2.gz	PZMJLAMSOBSEEJ-UHFFFAOYSA-N	-1	2	262.158	1.132	40	5		CDBBLM
Cc1cc([N+](=O)[O-])cc(N2C[C@H](C(=O)[O-])CC2=O)c1O	ZINC000070461215	301428649	/nfs/dbraw/zinc/42/86/49/301428649.db2.gz	VTBDWMFTDREWNR-SSDOTTSWSA-N	-1	2	280.236	1.046	40	5		CDBBLM
O=[N+]([O-])c1c(O)ccc2cc(S(=O)(=O)[O-])ccc21	ZINC000035092834	361237621	/nfs/dbraw/zinc/23/76/21/361237621.db2.gz	VMYPJDABFYJFSU-UHFFFAOYSA-N	-1	2	269.234	1.700	40	5		CDBBLM
Cc1cc([N+](=O)[O-])cc(N2C[C@@H](C(=O)[O-])CC2=O)c1O	ZINC000070461216	301428688	/nfs/dbraw/zinc/42/86/88/301428688.db2.gz	VTBDWMFTDREWNR-ZETCQYMHSA-N	-1	2	280.236	1.046	40	5		CDBBLM
O=C([O-])CCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000002035060	169769970	/nfs/dbraw/zinc/76/99/70/169769970.db2.gz	QZSZBSNFBWBTOS-BYPYZUCNSA-N	-1	2	280.491	1.493	40	5		CDBBLM
CCN(CC)c1cc([N+](=O)[O-])ccc1O[P@@](=O)([O-])O	ZINC000095918470	185031011	/nfs/dbraw/zinc/03/10/11/185031011.db2.gz	JCNSHLRENRVSLO-UHFFFAOYSA-N	-1	2	290.212	1.913	40	5		CDBBLM
CCN(CC)c1cc([N+](=O)[O-])ccc1O[P@](=O)([O-])O	ZINC000095918470	185031012	/nfs/dbraw/zinc/03/10/12/185031012.db2.gz	JCNSHLRENRVSLO-UHFFFAOYSA-N	-1	2	290.212	1.913	40	5		CDBBLM
O=C([O-])CCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001745450	374043784	/nfs/dbraw/zinc/04/37/84/374043784.db2.gz	QZSZBSNFBWBTOS-SCSAIBSYSA-N	-1	2	280.491	1.493	40	5		CDBBLM
O=C([O-])CCCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000002031759	360371737	/nfs/dbraw/zinc/37/17/37/360371737.db2.gz	VRPPKZLUGZULNT-RXMQYKEDSA-N	-1	2	294.518	1.883	40	5		CDBBLM
O=C([O-])c1c2ccc(Cl)cc2[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000033849107	304218284	/nfs/dbraw/zinc/21/82/84/304218284.db2.gz	OKJFSIAJZXDJOX-UHFFFAOYSA-N	-1	2	291.650	1.529	40	5		CDBBLM