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+]1CCN(c2ccc(CNC(=O)CCC[C@@H]3[C@H]4CCC[N@@H+]5CCC[C@@H](C[NH+]3Cc3ccccc3)[C@@H]45)cc2)CC1 ZINC000257180702 1066373581 /nfs/dbraw/zinc/37/35/81/1066373581.db2.gz DVGWAJAKHKKTNM-OTLKBGDTSA-N 3 0 543.800 4.600 50 10 KJCARP O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1Cc1ccccc1)[C@@H]23)NCc1ccc(N2CCOCC2)cc1 ZINC000257189093 1066374339 /nfs/dbraw/zinc/37/43/39/1066374339.db2.gz NITNHTILGYGRFT-VVHQHVLRSA-N 2 0 530.757 4.685 50 10 KJCARP