smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCCN2CCCC2)c(S(=O)(=O)F)c1 ZINC001164718916 720207044 /nfs/dbraw/zinc/20/70/44/720207044.db2.gz OWOFVIMDAPWJEY-INIZCTEOSA-N 0 1 482.538 0.871 20 70 JCIDMN COC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCCN2CCCC2)c(S(=O)(=O)F)c1 ZINC001164718917 720207424 /nfs/dbraw/zinc/20/74/24/720207424.db2.gz OWOFVIMDAPWJEY-MRXNPFEDSA-N 0 1 482.538 0.871 20 70 JCIDMN COC(=O)c1cnc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)c(S(=O)(=O)F)c1 ZINC001164794365 721522456 /nfs/dbraw/zinc/52/24/56/721522456.db2.gz CDKMZDCDSZKWTQ-UHFFFAOYSA-N 0 1 452.512 0.491 20 70 JCIDMN