smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)C[N+](C)(C)CBr 13822363 717109709 /nfs/dbraw/zinc/10/97/09/717109709.db2.gz BDCAZBIDVVNCPE-LURJTMIESA-N 1 0 197.096 0.796 1 50 ACGFRO C[C@@H](O)C[N+](C)(C)CCl 13822357 717110162 /nfs/dbraw/zinc/11/01/62/717110162.db2.gz RVGCGWLWLXVZPG-ZCFIWIBFSA-N 1 0 152.645 0.640 1 50 ACGFRO C[C@@H](O)C[N+](C)(C)CBr 13822361 717110265 /nfs/dbraw/zinc/11/02/65/717110265.db2.gz BDCAZBIDVVNCPE-ZCFIWIBFSA-N 1 0 197.096 0.796 1 50 ACGFRO C[C@H](O)C[N+](C)(C)CCl 13822359 717110286 /nfs/dbraw/zinc/11/02/86/717110286.db2.gz RVGCGWLWLXVZPG-LURJTMIESA-N 1 0 152.645 0.640 1 50 ACGFRO CC(=O)OCC[N+](C)(C)CCl 26180574 717113598 /nfs/dbraw/zinc/11/35/98/717113598.db2.gz RFGNLERFAVYSCV-UHFFFAOYSA-N 1 0 180.655 0.822 1 50 ACGFRO C[N+](C)(CCCl)NCCC(=O)[O-] 169309021 717155513 /nfs/dbraw/zinc/15/55/13/717155513.db2.gz NJCXMXANYJYNJM-UHFFFAOYSA-O 1 0 195.670 0.281 1 50 ACGFRO