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(OCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[n-]c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000004775738	552481541	/nfs/dbraw/zinc/48/15/41/552481541.db2.gz	WXAJRJWVCMSQTC-UHFFFAOYSA-N	-1	3	513.419	1.400	40	5		KDBBHM
O=C([N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100127055	554225096	/nfs/dbraw/zinc/22/50/96/554225096.db2.gz	NKDXVHGJEHYZHY-UHFFFAOYSA-N	-1	3	510.244	1.713	40	5		KDBBHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O	ZINC000138774676	571452053	/nfs/dbraw/zinc/45/20/53/571452053.db2.gz	VXEQDMHKUJIJLW-CQSZACIVSA-N	-1	3	500.464	1.596	40	5		KDBBHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O	ZINC000138774803	571452140	/nfs/dbraw/zinc/45/21/40/571452140.db2.gz	VXEQDMHKUJIJLW-AWEZNQCLSA-N	-1	3	500.464	1.596	40	5		KDBBHM
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)c1	ZINC000138903201	571452451	/nfs/dbraw/zinc/45/24/51/571452451.db2.gz	CHZIDIILYMCAHA-CYBMUJFWSA-N	-1	3	501.408	1.187	40	5		KDBBHM
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)c1	ZINC000138903314	571452392	/nfs/dbraw/zinc/45/23/92/571452392.db2.gz	CHZIDIILYMCAHA-ZDUSSCGKSA-N	-1	3	501.408	1.187	40	5		KDBBHM
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000408654112	572304877	/nfs/dbraw/zinc/30/48/77/572304877.db2.gz	JNWMYUWURQIURP-KRWDZBQOSA-N	-1	3	512.475	1.837	40	5		KDBBHM
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000408654113	572304844	/nfs/dbraw/zinc/30/48/44/572304844.db2.gz	JNWMYUWURQIURP-QGZVFWFLSA-N	-1	3	512.475	1.837	40	5		KDBBHM
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)c1	ZINC000408656613	572306126	/nfs/dbraw/zinc/30/61/26/572306126.db2.gz	NNFWZVSKFALWHB-CYBMUJFWSA-N	-1	3	516.463	1.296	40	5		KDBBHM
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)c1	ZINC000408656615	572306119	/nfs/dbraw/zinc/30/61/19/572306119.db2.gz	NNFWZVSKFALWHB-ZDUSSCGKSA-N	-1	3	516.463	1.296	40	5		KDBBHM