smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOC(=O)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004830955 170025422 /nfs/dbraw/zinc/02/54/22/170025422.db2.gz MPYIURLTQHJANA-UHFFFAOYSA-N 1 2 294.354 4.737 40 10 CJCBLO CCN(CC)c1ccc(-c2[nH]c3c(cc(C)cc3C)[nH+]2)cc1 ZINC000216879818 570346847 /nfs/dbraw/zinc/34/68/47/570346847.db2.gz NHBOBQNMLIOOBB-UHFFFAOYSA-N 1 2 293.414 4.693 40 10 CJCBLO Cc1ccc(-c2ccccc2C)n1-c1ccc([NH+](C)C)cc1 ZINC000228932304 570372968 /nfs/dbraw/zinc/37/29/68/570372968.db2.gz PSPBXRQDOXPKIX-UHFFFAOYSA-N 1 2 290.410 4.827 40 10 CJCBLO Cc1ccc(-c2ccccc2F)n1-c1ccc([NH+](C)C)cc1 ZINC000230481805 570381158 /nfs/dbraw/zinc/38/11/58/570381158.db2.gz CUNGISJQLRLHGF-UHFFFAOYSA-N 1 2 294.373 4.658 40 10 CJCBLO