smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2C(=O)c2c(NCC[NH+]3CCCCC3)ccc(NCC[NH+]3CCCCC3)c21	ZINC000005385119	562933938	/nfs/dbraw/zinc/93/39/38/562933938.db2.gz	ZZAQXEOJBZCBDH-UHFFFAOYSA-N	2	1	460.622	4.258	1	10		JICFMP
O=C(Cc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)OC[C@H]1CCc2ccccc2C1	ZINC000026567165	563029649	/nfs/dbraw/zinc/02/96/49/563029649.db2.gz	SLWSVZSRNOQGTF-QFIPXVFZSA-N	2	1	462.634	4.475	1	10		JICFMP
O=C(Cc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)OC[C@@H]1CCc2ccccc2C1	ZINC000026567160	563029699	/nfs/dbraw/zinc/02/96/99/563029699.db2.gz	SLWSVZSRNOQGTF-JOCHJYFZSA-N	2	1	462.634	4.475	1	10		JICFMP
CN(C)c1ccc(C[N@@H+]2CCOc3ccc(C[NH+]4CCC(O)(c5cccnc5)CC4)cc3C2)cc1	ZINC000012048030	562958925	/nfs/dbraw/zinc/95/89/25/562958925.db2.gz	CKZMBDXQOPNSSI-UHFFFAOYSA-N	2	1	472.633	4.026	1	10		JICFMP
CN(C)c1ccc(C[N@H+]2CCOc3ccc(C[NH+]4CCC(O)(c5cccnc5)CC4)cc3C2)cc1	ZINC000012048030	562958927	/nfs/dbraw/zinc/95/89/27/562958927.db2.gz	CKZMBDXQOPNSSI-UHFFFAOYSA-N	2	1	472.633	4.026	1	10		JICFMP
CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2cc(O)c(O)cc21	ZINC000015150961	563011363	/nfs/dbraw/zinc/01/13/63/563011363.db2.gz	HGQNZTBYUKKJLH-CQOCVSQPSA-N	2	1	452.595	4.337	1	10	in-vitro	JICFMP