smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)([NH3+])Cc1ccccc1Cl 1694686 342959661 /nfs/dbraw/zinc/95/96/61/342959661.db2.gz XKJCWCVJSYOSBW-UHFFFAOYSA-N 2 0 199.705 2.180 40 5 AEBBRP C[N+](C)(C)c1ccc([N+]#N)cc1 5218068 171016271 /nfs/dbraw/zinc/01/62/71/171016271.db2.gz SVZIAFPYRMWMCG-UHFFFAOYSA-N 2 0 163.224 2.368 40 5 in-vitro AEBBRP