smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801304	195226909	/nfs/dbraw/zinc/22/69/09/195226909.db2.gz	RVSQSXOHBCRVNT-PMACEKPBSA-N	0	3	469.473	2.262	40	5		JEBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(N)=O	ZINC000016195359	556128860	/nfs/dbraw/zinc/12/88/60/556128860.db2.gz	PAHARNDYIGNRLO-UHFFFAOYSA-N	0	3	453.293	2.432	40	5		JEBBHN
COc1ccc(Cl)cc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013671357	555562868	/nfs/dbraw/zinc/56/28/68/555562868.db2.gz	DGKLXDNBMZECSH-UHFFFAOYSA-N	0	3	484.962	2.438	40	5		JEBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)NC[C@H]1CCCO1	ZINC000408609291	569972010	/nfs/dbraw/zinc/97/20/10/569972010.db2.gz	ZENIYWQPVHRLME-IZPAUZPXSA-N	0	3	460.443	2.039	40	5		JEBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000020154308	555673739	/nfs/dbraw/zinc/67/37/39/555673739.db2.gz	MZKDAZLJTGCOFG-UHFFFAOYSA-N	0	3	456.459	2.002	40	5		JEBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000020154298	555673870	/nfs/dbraw/zinc/67/38/70/555673870.db2.gz	ARKCCGHTVPGWGC-UHFFFAOYSA-N	0	3	456.459	2.002	40	5		JEBBHN
CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801296	195226820	/nfs/dbraw/zinc/22/68/20/195226820.db2.gz	RVSQSXOHBCRVNT-VQTJNVASSA-N	0	3	469.473	2.262	40	5		JEBBHN
CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801292	195226712	/nfs/dbraw/zinc/22/67/12/195226712.db2.gz	RVSQSXOHBCRVNT-WOJBJXKFSA-N	0	3	469.473	2.262	40	5		JEBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)NC[C@@H]1CCCO1	ZINC000408609297	569972132	/nfs/dbraw/zinc/97/21/32/569972132.db2.gz	ZENIYWQPVHRLME-OWNNVSBGSA-N	0	3	460.443	2.039	40	5		JEBBHN
CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801300	195226795	/nfs/dbraw/zinc/22/67/95/195226795.db2.gz	RVSQSXOHBCRVNT-UXHICEINSA-N	0	3	469.473	2.262	40	5		JEBBHN
O=c1c2ccc3c(=O)n(CCN4CCCCC4)c(=O)c4ccc(c(=O)n1CCN1CCCCC1)c2c34	ZINC000059484441	569605062	/nfs/dbraw/zinc/60/50/62/569605062.db2.gz	QYFDCDPSWGAUOU-UHFFFAOYSA-N	0	3	488.588	2.037	40	5		JEBBHN