smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]12CCC(CC1)[C@@H](OC(=O)[C@@](O)(C[NH+]1CCOCC1)c1ccccc1)C2 ZINC000013887357 221292994 /nfs/dbraw/zinc/29/29/94/221292994.db2.gz PEJQOLIYRGKUPV-WXRJQMCZSA-N 2 2 375.489 0.988 1 5 GCBFLP C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(C[NH+]1CCOCC1)c1ccccc1)C2 ZINC000013887358 221293433 /nfs/dbraw/zinc/29/34/33/221293433.db2.gz PEJQOLIYRGKUPV-NKCVSLKMSA-N 2 2 375.489 0.988 1 5 GCBFLP C[N+]12CCC(CC1)[C@H](OC(=O)[C@](O)(C[NH+]1CCOCC1)c1ccccc1)C2 ZINC000013887359 221292785 /nfs/dbraw/zinc/29/27/85/221292785.db2.gz PEJQOLIYRGKUPV-LZUQRKAGSA-N 2 2 375.489 0.988 1 5 GCBFLP