smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH]c3c(c2c1)c(C)c1c(ccnc1NCCCN1CCN(CCC[NH3+])CC1)[n+]3C ZINC000028878624 563084530 /nfs/dbraw/zinc/08/45/30/563084530.db2.gz FFFLBIPBVGMZMM-UHFFFAOYSA-O 2 1 476.649 2.779 1 5 JFBFMP CC[NH+](CC)CCn1c2cc(N3CC[NH+](C)CC3)c(N)cc2c(=O)c2c(OC)cc(OC)cc21 ZINC000026275493 563025265 /nfs/dbraw/zinc/02/52/65/563025265.db2.gz OZDDFXHJMYRVEK-UHFFFAOYSA-N 2 1 467.614 2.848 1 5 JFBFMP