smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH+](C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)cc1	ZINC000019583332	569018245	/nfs/dbraw/zinc/01/82/45/569018245.db2.gz	IKVGISAOZXZUEO-FYYLOGMGSA-N	2	1	421.589	3.419	40	30		HGEBMP
C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH+](C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)cc1	ZINC000019583332	569018246	/nfs/dbraw/zinc/01/82/46/569018246.db2.gz	IKVGISAOZXZUEO-FYYLOGMGSA-N	2	1	421.589	3.419	40	30		HGEBMP
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000004088028	569321430	/nfs/dbraw/zinc/32/14/30/569321430.db2.gz	PPRQNSMKNMTHHR-RAEUIGNCSA-N	2	1	416.606	3.464	40	30		HGEBMP
C[C@]12CCC[C@@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000004088045	569321447	/nfs/dbraw/zinc/32/14/47/569321447.db2.gz	PPRQNSMKNMTHHR-NONZBCKQSA-N	2	1	416.606	3.464	40	30		HGEBMP