smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(/C=C2\CN(C(=O)CCC(=O)NCCC[NH2+]CCCC[NH2+]CCCN)C/C(=C\c3ccc(O)c(OCC)c3)C2=O)ccc1O	ZINC000072149350	562730043	/nfs/dbraw/zinc/73/00/43/562730043.db2.gz	JQQQTICHRLTLIB-VFIVCBTMSA-N	2	3	679.859	3.368	1	30		KGEFHP
CC[C@@]1(CNC(=[NH2+])NC)C#C[C@H]2CCC[C@]3(CNC)C[C@H](CC[NH2+]3)Oc3cc(ccc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085627963	565160729	/nfs/dbraw/zinc/16/07/29/565160729.db2.gz	XTEGQJLUGKCYLW-BRRHSTDZSA-N	2	3	611.828	3.060	1	30	biogenic,in-vitro	KGEFHP
N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)c(C#Cc2c(F)c(F)nc(F)c2F)c1	ZINC000095565809	562764669	/nfs/dbraw/zinc/76/46/69/562764669.db2.gz	PPYZJKCNXWVFRU-VXKWHMMOSA-N	2	3	695.615	3.398	1	30		KGEFHP
CC(=O)O[C@H]1C[C@@H](O)CC[C@]2(C#C[C@@H]3CCC[C@H]4C[C@@H](CC[NH2+]4)Oc4cc(ccc4O)C[C@H]31)CCN1C[C@H]3C[C@@H](C1)CN(C3)C[NH+]=C(N)NC2	ZINC000150348852	565202133	/nfs/dbraw/zinc/20/21/33/565202133.db2.gz	LTVYBODGQYNQSH-UJPUAGCDSA-N	2	3	690.930	3.046	1	30	biogenic,in-vitro	KGEFHP