smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cc(-c2ccco2)n[nH]1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1 ZINC000217593540 569449700 /nfs/dbraw/zinc/44/97/00/569449700.db2.gz HKZWJHOQUQDAOW-UHFFFAOYSA-N 0 3 427.530 3.274 50 70 IGIAHN COC(=O)c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1 ZINC000217592372 569449678 /nfs/dbraw/zinc/44/96/78/569449678.db2.gz USIPSICQQQYUQA-UHFFFAOYSA-N 0 3 429.542 3.078 50 70 IGIAHN