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+]1(C)CN(c2ccccc2)C2(CC[NH+](CCCC(=O)c3cccs3)CC2)C1=O ZINC000073371808 558986341 /nfs/dbraw/zinc/98/63/41/558986341.db2.gz OBYGBHACHRQVTM-UHFFFAOYSA-N 2 0 412.579 3.626 40 5 HHBBRP [NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225245646 569376179 /nfs/dbraw/zinc/37/61/79/569376179.db2.gz JYXSJWAQPROARH-UHFFFAOYSA-N 2 0 416.485 3.744 40 5 HHBBRP