smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@H](C)Nc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc(OC)ccc21 ZINC000004424500 194389529 /nfs/dbraw/zinc/38/95/29/194389529.db2.gz LJBAIPFUPVEHGJ-JTPHSUOKSA-N 1 3 462.594 6.244 50 5 biogenic JKBAHO CC[NH+](CC)CCC[C@@H](C)Nc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc(OC)ccc21 ZINC000004424495 194389651 /nfs/dbraw/zinc/38/96/51/194389651.db2.gz LJBAIPFUPVEHGJ-RGFVMQALSA-N 1 3 462.594 6.244 50 5 biogenic JKBAHO