smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1N1CCC([NH2+][C@@H]2CCOC[C@H]2OCCN(C)C)CC1 ZINC000218217110 525222302 /nfs/dbraw/zinc/22/23/02/525222302.db2.gz LYBCIXNJONRUPV-TZIWHRDSSA-N 1 3 361.530 2.289 50 70 FEIAHO CN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)(c2ccccc2)CC1 ZINC000217951052 548683471 /nfs/dbraw/zinc/68/34/71/548683471.db2.gz WJABHONDQVKBDN-RUYXUALKSA-N 1 3 355.526 2.449 50 70 FEIAHO