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)CN(CC(C)C)C(=O)C[N+]12CC[N+](CC(=O)N(CC(C)C)CC(C)C)(CC1)CC2 ZINC000013129809 556354028 /nfs/dbraw/zinc/35/40/28/556354028.db2.gz OLUUZJFHFPAFJV-UHFFFAOYSA-N 2 0 452.728 2.928 50 30 JFEARP Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCCN3CC[NH+](C)CC3)cc12 ZINC000022932049 555984945 /nfs/dbraw/zinc/98/49/45/555984945.db2.gz AXFZHCWYAXFSPB-UHFFFAOYSA-N 2 0 455.676 2.630 50 30 JFEARP