smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2ccc3nc(N)[nH+]c(N)c3c2c1 ZINC000005889673 175226066 /nfs/dbraw/zinc/22/60/66/175226066.db2.gz LKYSUZLQYNDFAY-UHFFFAOYSA-N 1 2 240.266 1.956 1 5 BDBFLO COc1ccc2ccc3[nH+]c(N)nc(N)c3c2c1 ZINC000005889673 175226068 /nfs/dbraw/zinc/22/60/68/175226068.db2.gz LKYSUZLQYNDFAY-UHFFFAOYSA-N 1 2 240.266 1.956 1 5 BDBFLO CCN(CC)N1C(=O)N[N+](CC)(CC)C1=O ZINC000005160768 717099395 /nfs/dbraw/zinc/09/93/95/717099395.db2.gz JNJQEYLIRKTISR-UHFFFAOYSA-O 1 2 229.304 1.160 1 5 BDBFLO O=C(Cn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000034506165 182070448 /nfs/dbraw/zinc/07/04/48/182070448.db2.gz YBQUULCDLHHQLG-UHFFFAOYSA-N 1 2 231.211 1.674 1 5 BDBFLO