smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCCc1cccc(S)c1 2389587 169337071 /nfs/dbraw/zinc/33/70/71/169337071.db2.gz VWVUFEAWFARFEF-UHFFFAOYSA-N -1 2 196.271 2.383 40 0 in-vitro AEABLM O=C([O-])CCCc1ccc(S)cc1 2389589 169337383 /nfs/dbraw/zinc/33/73/83/169337383.db2.gz ONAHWIVUEWOXEJ-UHFFFAOYSA-N -1 2 196.271 2.383 40 0 in-vitro AEABLM O=C([O-])CCCc1ccccc1S 2389586 169337447 /nfs/dbraw/zinc/33/74/47/169337447.db2.gz BMULCLHAQQPWSF-UHFFFAOYSA-N -1 2 196.271 2.383 40 0 in-vitro AEABLM