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)(C)C1=CC[C@@H](C(=O)[O-])C=C1 26250599 166349123 /nfs/dbraw/zinc/34/91/23/166349123.db2.gz LQWLBIKCJLGRPE-QMMMGPOBSA-N -1 0 180.247 2.620 1 0 AFAFRM CC(C)(C)C1=CC[C@H](C(=O)[O-])C=C1 26250606 166349136 /nfs/dbraw/zinc/34/91/36/166349136.db2.gz LQWLBIKCJLGRPE-MRVPVSSYSA-N -1 0 180.247 2.620 1 0 AFAFRM Cc1cc(C)c2c([O-])csc2c1 84403422 343636031 /nfs/dbraw/zinc/63/60/31/343636031.db2.gz RPXZCHRNIQULPE-UHFFFAOYSA-N -1 0 178.256 2.592 1 0 AFAFRM C/C=C/CC/C=C/CCC(=O)[O-] 33822091 560088983 /nfs/dbraw/zinc/08/89/83/560088983.db2.gz XDQQQSFYCSYSCP-BLWKUPHCSA-N -1 0 168.236 2.764 1 0 biogenic,in-vitro AFAFRM