smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(C(=O)NCC2([NH+]3CCCC3)CCCCC2)(c2ccccc2)CC1 ZINC000218371905 570332776 /nfs/dbraw/zinc/33/27/76/570332776.db2.gz GNKXTANIFOWOOX-UHFFFAOYSA-N 2 0 383.580 3.565 50 70 GHIARP O=C(Nc1cccs1)N1CCC([NH+]2CCC(Oc3ccncc3)CC2)CC1 ZINC000217441577 570889826 /nfs/dbraw/zinc/88/98/26/570889826.db2.gz WWIAQSHOYIBDJW-UHFFFAOYSA-N 2 0 386.521 3.683 50 70 GHIARP