smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c[nH+]c2c1CCCCCC2 217717843 169055416 /nfs/dbraw/zinc/05/54/16/169055416.db2.gz LRNZPYKREXZZHY-UHFFFAOYSA-N 1 1 164.252 2.079 40 70 AEIBMO CC(C)n1cc(NC2=[NH+]CCC2)cn1 217802730 344406603 /nfs/dbraw/zinc/40/66/03/344406603.db2.gz AYDUCZAEBKLTAK-UHFFFAOYSA-N 1 1 192.266 2.068 40 70 AEIBMO