smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name IC[C@H]1COC[N+]12CCCCC2 ZINC000000245669 717087888 /nfs/dbraw/zinc/08/78/88/717087888.db2.gz JRUIOQIFRUNRSS-VIFPVBQESA-N 1 0 282.145 1.778 50 50 CDGARO IC[C@@H]1COC[N+]12CCCCC2 ZINC000000245664 717087895 /nfs/dbraw/zinc/08/78/95/717087895.db2.gz JRUIOQIFRUNRSS-SECBINFHSA-N 1 0 282.145 1.778 50 50 CDGARO