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(Nc1cccs1)N1CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC000217441577 570889833 /nfs/dbraw/zinc/88/98/33/570889833.db2.gz WWIAQSHOYIBDJW-UHFFFAOYSA-N 0 2 386.521 3.683 50 70 GHIALN COCc1c(Cl)cccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000161145513 570949875 /nfs/dbraw/zinc/94/98/75/570949875.db2.gz FSENFAUCRJAEOT-UHFFFAOYSA-N 0 2 395.843 3.612 50 70 GHIALN