smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1cccc2c(S)cccc12 1555370 342947008 /nfs/dbraw/zinc/94/70/08/342947008.db2.gz AAPAGLBSROJFGM-UHFFFAOYSA-N -1 2 192.308 3.417 50 0 in-vitro AGAALM [S-]c1ccc2ccc(S)cc2c1 14628770 351374468 /nfs/dbraw/zinc/37/44/68/351374468.db2.gz INUVVGTZMFIDJF-UHFFFAOYSA-N -1 2 192.308 3.417 50 0 in-vitro AGAALM [S-]c1ccc2cc(S)ccc2c1 14628772 351374710 /nfs/dbraw/zinc/37/47/10/351374710.db2.gz XMHBJPKFTZSWRJ-UHFFFAOYSA-N -1 2 192.308 3.417 50 0 in-vitro AGAALM