smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)CN1CCC2(CCCN2c2nc(Cl)nc3c2CN(C(=O)OCCCl)CC3)CC1 ZINC001165011198 721734028 /nfs/dbraw/zinc/73/40/28/721734028.db2.gz PHIGWINHEHXJCW-UHFFFAOYSA-N 0 1 499.443 2.387 20 50 JEGDMN O=C(OCCCl)N1CCc2nc(Cl)nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c2C1 ZINC001164968034 722070217 /nfs/dbraw/zinc/07/02/17/722070217.db2.gz YVXSIWNSCQZULM-GASCZTMLSA-N 0 1 456.374 2.163 20 50 JEGDMN