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(=NCCCOc1cccc(C[NH+]2CCCCC2)c1)NCCNC(=O)c1ccc(N)c(I)c1 ZINC000026376598 561782166 /nfs/dbraw/zinc/78/21/66/561782166.db2.gz VJTYCMQYDRXNNY-UHFFFAOYSA-N 1 0 603.509 3.074 10 30 in-vitro KGEERO N#C[C@@]1(c2ccc(F)cc2)CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC(N)=O)CN3c2ccc(F)cc2)CC1 ZINC000100369922 562806929 /nfs/dbraw/zinc/80/69/29/562806929.db2.gz HVWIHGNIDIIREZ-JIBACQESSA-N 1 0 507.585 3.295 10 30 in-man KGEERO