smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOC(=O)c1cccc(-c2ccc(C(c3c(C)[n-][nH]c3=O)c3c(C)[n-][nH]c3=O)o2)c1 ZINC000096193512 518295475 /nfs/dbraw/zinc/29/54/75/518295475.db2.gz RTWUVUAKQTUCSY-UHFFFAOYSA-N -2 3 432.436 3.391 10 30 IGEEHL C#CCOc1c(Br)cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc1OC ZINC000096193449 518315479 /nfs/dbraw/zinc/31/54/79/518315479.db2.gz OVMCIGNSLICJMO-UHFFFAOYSA-N -2 3 447.289 3.124 10 30 IGEEHL