smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc([NH2+]C2CCCCC2)cc1 8701104 169293104 /nfs/dbraw/zinc/29/31/04/169293104.db2.gz UZARQBVTRHEUOB-UHFFFAOYSA-N 1 1 190.290 3.013 50 10 in-vitro AGCAMO O=C1C=CC(=NNc2cc[nH+]cc2)C=C1 39390999 351502206 /nfs/dbraw/zinc/50/22/06/351502206.db2.gz BCBHUOGPSRNKLW-BUHFOSPRSA-N 1 1 199.213 3.203 50 10 AGCAMO