smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[NH2+]CCCCCC ZINC000001595501 342950343 /nfs/dbraw/zinc/95/03/43/342950343.db2.gz KLJUVCXLKBGKOY-UHFFFAOYSA-N 1 0 199.382 4.127 40 30 AIEBRO CCCCCCCCCC[NH2+]CCC ZINC000002509158 351308452 /nfs/dbraw/zinc/30/84/52/351308452.db2.gz LBTAXVIGKZQJMU-UHFFFAOYSA-N 1 0 199.382 4.127 40 30 in-man AIEBRO CCCCCCCCC[NH2+]CCCC ZINC000100077167 171143804 /nfs/dbraw/zinc/14/38/04/171143804.db2.gz ZJFJKMQYBGYDFS-UHFFFAOYSA-N 1 0 199.382 4.127 40 30 AIEBRO