smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+](C)Cc1nn(-c2c(C#N)c(Cl)nc3cccc(Cl)c32)c2c1CC[NH2+]C2 ZINC001164680377 719654624 /nfs/dbraw/zinc/65/46/24/719654624.db2.gz GDXNSFWLVAOJRC-UHFFFAOYSA-N 2 1 429.355 4.085 20 30 IIEDMP CC(C)[N@@H+](C)Cc1nn(-c2c(C#N)c(Cl)nc3cccc(Cl)c32)c2c1CC[NH2+]C2 ZINC001164680377 719654627 /nfs/dbraw/zinc/65/46/27/719654627.db2.gz GDXNSFWLVAOJRC-UHFFFAOYSA-N 2 1 429.355 4.085 20 30 IIEDMP