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)CCNc1c2[nH]c3ccccc3c2[nH+]c2ccccc21 ZINC000040584616 213354311 /nfs/dbraw/zinc/35/43/11/213354311.db2.gz BWWJYRDFOAYKCH-UHFFFAOYSA-N 2 0 332.451 4.623 1 5 in-vitro EJBFRP CC[NH+](CC)CCNc1c2oc3ccccc3c2[nH+]c2ccccc21 ZINC000040584625 213355833 /nfs/dbraw/zinc/35/58/33/213355833.db2.gz RDDIHJUUBDFFQR-UHFFFAOYSA-N 2 0 333.435 4.888 1 5 EJBFRP