smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCN1C(=O)c2ccc(NCC[NH+](C)C)c3cc4c(Cl)cccc4c(c23)C1=O ZINC000029343736 563078673 /nfs/dbraw/zinc/07/86/73/563078673.db2.gz IQCFWJIJLFBEFD-UHFFFAOYSA-N 1 3 438.959 3.778 1 5 IHBFHO CCN(CC)CCn1c2ccc3c(cnn3CC[NH+](CC)CC)c2c(=O)c2cccnc21 ZINC000001638200 562923450 /nfs/dbraw/zinc/92/34/50/562923450.db2.gz ARODSBOXDTXECO-UHFFFAOYSA-N 1 3 434.588 3.583 1 5 IHBFHO CCN(CC)CCn1c2ccc3cnn(CC[NH+](CC)CC)c3c2c(=O)c2cccnc21 ZINC000001638201 562923474 /nfs/dbraw/zinc/92/34/74/562923474.db2.gz CUZKGQBVNAMXQJ-UHFFFAOYSA-N 1 3 434.588 3.583 1 5 IHBFHO