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=C/C[C@@]1(C)SC([O-])=C(C)C1=O 101405760 166062588 /nfs/dbraw/zinc/06/25/88/166062588.db2.gz BBAVZRRTMOZCOC-ORAHPGNNSA-N -1 0 198.287 2.817 1 30 AFEFRM C/C=C/C[C@]1(C)SC([O-])=C(C)C1=O 101405764 166063043 /nfs/dbraw/zinc/06/30/43/166063043.db2.gz BBAVZRRTMOZCOC-YEZKRMTDSA-N -1 0 198.287 2.817 1 30 AFEFRM C=C/C(C)=C/[C@@]1(C)SC([O-])=CC1=O 101005438 166142495 /nfs/dbraw/zinc/14/24/95/166142495.db2.gz XLAMKVCDHGOEET-VQCYPWCPSA-N -1 0 196.271 2.593 1 30 AFEFRM C=CCC[C@@]1(C)SC(=O)C(C)=C1[O-] 101074598 166169160 /nfs/dbraw/zinc/16/91/60/166169160.db2.gz MYRJMWYQLDGGFE-SNVBAGLBSA-N -1 0 198.287 2.817 1 30 AFEFRM C=CCC[C@]1(C)SC(=O)C(C)=C1[O-] 101074600 166169484 /nfs/dbraw/zinc/16/94/84/166169484.db2.gz MYRJMWYQLDGGFE-JTQLQIEISA-N -1 0 198.287 2.817 1 30 AFEFRM