smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH+]1CC[N+]2(CCCC2)CC1 29335530 166120979 /nfs/dbraw/zinc/12/09/79/166120979.db2.gz KZEYAZLLCNZDGY-UHFFFAOYSA-N 2 2 195.330 1.489 1 30 ADEFLP C=CC[NH+]1CC[N+]2(CCCC2)CC1 29332050 166178476 /nfs/dbraw/zinc/17/84/76/166178476.db2.gz SUYXAYPEGKYFPI-UHFFFAOYSA-N 2 2 181.303 1.099 1 30 ADEFLP