smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)Cc2ccccc2-c2nc(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)[n-]c(=O)c21 ZINC000217559843 557171471 /nfs/dbraw/zinc/17/14/71/557171471.db2.gz SLGXSNNENSNSAR-FUHWJXTLSA-N -1 3 428.536 3.052 40 70 IGIBHM O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C1 ZINC000217562324 557171282 /nfs/dbraw/zinc/17/12/82/557171282.db2.gz OEAJDEQUUFMIJT-DOTOQJQBSA-N -1 3 430.533 3.433 40 70 IGIBHM