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)=CCC/C(C)=C/CC/C(C)=C/CCCCP(=O)([O-])[O-] ZINC000029552520 202189052 /nfs/dbraw/zinc/18/90/52/202189052.db2.gz AEYSUBKSILBNEA-CBXDKUCNSA-N -2 3 328.433 5.754 1 0 EKAFHL CC[C@@H](c1ccc([O-])c(Cl)c1)[C@@H](CC)c1ccc([O-])c(Cl)c1 ZINC000040466660 213309919 /nfs/dbraw/zinc/30/99/19/213309919.db2.gz CBJDAPHLKCZCIS-KBPBESRZSA-N -2 3 339.262 6.092 1 0 EKAFHL CCCc1cc(Cl)c([O-])c(-c2cc(CCC)cc(Cl)c2[O-])c1 ZINC000073296041 216373811 /nfs/dbraw/zinc/37/38/11/216373811.db2.gz MCLLKFNUWFKZFX-UHFFFAOYSA-N -2 3 339.262 5.977 1 0 EKAFHL