smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)S(=O)(=O)CC(=O)[O-] 20217364 343069507 /nfs/dbraw/zinc/06/95/07/343069507.db2.gz CINIKHKFACTWOO-YFKPBYRVSA-N -1 0 180.225 0.284 30 0 ACACRM C[C@@H](Nc1cccnc1)C(=O)[O-] 5141673 168385195 /nfs/dbraw/zinc/38/51/95/168385195.db2.gz WTKYBFQVZPCGAO-ZCFIWIBFSA-N -1 0 166.180 0.967 30 0 ACACRM O=C([O-])c1cnc2ncc(F)cn12 199505400 169359919 /nfs/dbraw/zinc/35/99/19/169359919.db2.gz MTZXSRXTYNQYQO-UHFFFAOYSA-N -1 0 181.126 0.567 30 0 ACACRM CC[C@@H](C)S(=O)(=O)CC(=O)[O-] 20217363 351402821 /nfs/dbraw/zinc/40/28/21/351402821.db2.gz CINIKHKFACTWOO-RXMQYKEDSA-N -1 0 180.225 0.284 30 0 ACACRM