smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CN(CC[NH2+]CCNCC[NH2+]CC[NH2+]CCN2CC(=O)NC2=O)C(=O)N1 ZINC000031371433 206303790 /nfs/dbraw/zinc/30/37/90/206303790.db2.gz WCHMXXBKHJJRID-UHFFFAOYSA-N 3 2 398.468 -3.552 10 0 GAAELP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C3([NH3+])CCOCC3)CC2)CC1 ZINC000261822794 530110950 /nfs/dbraw/zinc/11/09/50/530110950.db2.gz KKIXMQPQNCMOEY-UHFFFAOYSA-N 2 2 375.495 -1.869 10 0 GAAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000261952206 530111160 /nfs/dbraw/zinc/11/11/60/530111160.db2.gz OLAXSLQVLCAJJL-KGLIPLIRSA-N 2 2 375.495 -2.000 10 0 GAAELP