smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cccc2[nH+]c3ccccc3c(NCC[NH+](CCO)CCO)c21	ZINC000005812036	204225700	/nfs/dbraw/zinc/22/57/00/204225700.db2.gz	SEGKYGNRPDCERU-UHFFFAOYSA-N	2	1	370.409	1.995	40	10		FDCBMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCOc2ccc(N)cc2)cc1	ZINC000001710094	534961288	/nfs/dbraw/zinc/96/12/88/534961288.db2.gz	JBGRJKGRFDNAGK-UHFFFAOYSA-N	2	1	368.441	1.912	40	10		FDCBMP
C[N@@H+](CCc1ccccc1)C[C@@H]1OC[C@H]([NH2+]Cc2ccccc2O)[C@H]1O	ZINC000514288850	560033803	/nfs/dbraw/zinc/03/38/03/560033803.db2.gz	GRRQZDPHIDPMSC-SESVDKBCSA-N	2	1	356.466	1.785	40	10	biogenic,in-vitro	FDCBMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCOc2ccc(N)cc2)c1	ZINC000001703690	534962322	/nfs/dbraw/zinc/96/23/22/534962322.db2.gz	KQCWHAGZONOKID-UHFFFAOYSA-N	2	1	368.441	1.912	40	10		FDCBMP