smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164793405 721492678 /nfs/dbraw/zinc/49/26/78/721492678.db2.gz RUOFRZNDWOOJJD-UHFFFAOYSA-N 1 1 423.564 5.059 20 5 HKBDMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164994250 722196335 /nfs/dbraw/zinc/19/63/35/722196335.db2.gz MCEBOGQKWGEVFC-AREMUKBSSA-N 1 1 412.512 5.167 20 5 HKBDMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164994253 722196434 /nfs/dbraw/zinc/19/64/34/722196434.db2.gz MCEBOGQKWGEVFC-SANMLTNESA-N 1 1 412.512 5.167 20 5 HKBDMO