smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=C(Nc1ccc(Cl)cc1)SC1CCCCC1 ZINC000006512112 170208264 /nfs/dbraw/zinc/20/82/64/170208264.db2.gz AABYDMFWAYJUCV-UHFFFAOYSA-N 0 2 285.865 5.103 1 0 CKAFLN CCCCC1(C(=O)Nc2ccccc2S)CCCCC1 ZINC000013813318 170597053 /nfs/dbraw/zinc/59/70/53/170597053.db2.gz RPOWLQXTRJDTQA-UHFFFAOYSA-N 0 2 291.460 5.055 1 0 CKAFLN Oc1cccc(-c2ccc(-c3ccc(S)cc3)s2)c1 ZINC000045321313 175359345 /nfs/dbraw/zinc/35/93/45/175359345.db2.gz DGSQMNORWUWDKL-UHFFFAOYSA-N 0 2 284.405 5.076 1 0 CKAFLN