smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(C(F)(F)N2CCC(c3nc4ccccc4s3)CC2)cnc1Cl ZINC001165050309 721989045 /nfs/dbraw/zinc/98/90/45/721989045.db2.gz BJBDMGQENKKTLC-UHFFFAOYSA-N 0 0 424.860 5.182 20 5 HKBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCC(c3nc4ccccc4s3)CC2)nc1Cl ZINC001165050310 721989026 /nfs/dbraw/zinc/98/90/26/721989026.db2.gz BKUIIBZJORVUIQ-UHFFFAOYSA-N 0 0 424.860 5.182 20 5 HKBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC001165051397 721989068 /nfs/dbraw/zinc/98/90/68/721989068.db2.gz PWESDXDWGBGJRF-UHFFFAOYSA-N 0 0 424.860 5.182 20 5 HKBDRN