smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CNC(=N)NCCCCCCNC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)cc1 ZINC000022054233 526490487 /nfs/dbraw/zinc/49/04/87/526490487.db2.gz DHPRGDRKNYRMPB-UHFFFAOYSA-N 2 0 377.884 1.346 10 30 in-vitro GDEERP COc1ccc(C=NNC(N)=[NH2+])cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000005738732 570454098 /nfs/dbraw/zinc/45/40/98/570454098.db2.gz AWRMBRNWMJLQTP-ZMOGYAJESA-N 2 0 384.459 1.973 10 30 GDEERP