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)c1cc(C(C)C)c(C=O)c(C(C)C)c1 ZINC000037624053 167570491 /nfs/dbraw/zinc/57/04/91/167570491.db2.gz XAAXOSJFQFKYIM-UHFFFAOYSA-N 0 2 232.367 4.869 10 0 BJAELN FC(F)(F)c1cc(=S)c2ccccc2s1 ZINC000043464901 384830266 /nfs/dbraw/zinc/83/02/66/384830266.db2.gz JYMVBUVOIUAHQL-UHFFFAOYSA-N 0 2 246.278 4.650 10 0 BJAELN CC(C)c1cc(C(C)C)c2c(c1)[C@@H](O)CCCC2 ZINC000088872907 167569316 /nfs/dbraw/zinc/56/93/16/167569316.db2.gz IWWNBFUBEKMGML-KRWDZBQOSA-N 0 2 246.394 4.693 10 0 BJAELN