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+]1CCC([NH2+][C@@H]2COCC[C@H]2O)CC1 ZINC000217012518 350029283 /nfs/dbraw/zinc/02/92/83/350029283.db2.gz NSHSVBDERVJKDB-VXGBXAGGSA-N 2 1 228.336 0.210 50 70 BCIAMP OCC[N@H+](Cc1ccccc1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000217070888 183069698 /nfs/dbraw/zinc/06/96/98/183069698.db2.gz IPTVCWQIRZJKNZ-FICVDOATSA-N 2 1 246.354 0.946 50 70 BCIAMP