smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCNC(=O)c1ccc2c3c([nH]n2CC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]c31	ZINC000026982151	563038663	/nfs/dbraw/zinc/03/86/63/563038663.db2.gz	BRJCWLAJNRFSIY-UHFFFAOYSA-N	3	2	463.542	2.966	1	5		JFBFLP
C[NH+](C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](NC(=O)C[NH+](C)C)C(C)(C)O2	ZINC000028705835	563075445	/nfs/dbraw/zinc/07/54/45/563075445.db2.gz	CAMKRPOVSRARKW-NRFANRHFSA-N	2	2	466.582	2.680	1	5		JFBFLP
COc1cc2c3cnc4cc5c(cc4c3n(CC[NH2+]CC[NH+](C)C)c(=O)c2cc1OC)OCO5	ZINC000043072613	563166447	/nfs/dbraw/zinc/16/64/47/563166447.db2.gz	STRBMZGNUKWSIY-UHFFFAOYSA-N	2	2	464.522	2.600	1	5		JFBFLP
C[NH+](C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](NC(=O)C[NH+](C)C)C(C)(C)O2	ZINC000028705838	563075419	/nfs/dbraw/zinc/07/54/19/563075419.db2.gz	CAMKRPOVSRARKW-OAQYLSRUSA-N	2	2	466.582	2.680	1	5		JFBFLP
O=C(CC[NH+]1CCOCC1)Nc1ccc2cc3ccc(NC(=O)CC[NH+]4CCOCC4)cc3nc2c1	ZINC000026495604	563028719	/nfs/dbraw/zinc/02/87/19/563028719.db2.gz	PKCWQSROJQAQMV-UHFFFAOYSA-N	2	2	491.592	2.710	1	5	in-vitro	JFBFLP
O=[N+]([O-])c1ccc(Nc2nc(NCCCn3cc[nH+]c3)[nH+]c(NCCCn3cc[nH+]c3)n2)cc1	ZINC000028130329	563057223	/nfs/dbraw/zinc/05/72/23/563057223.db2.gz	GXQOSMHJPPWZMW-UHFFFAOYSA-N	3	2	463.506	2.921	1	5		JFBFLP