smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[C@@H]1OC[C@@H](COP(=O)([O-])[O-])O1 ZINC000036179257 541108825 /nfs/dbraw/zinc/10/88/25/541108825.db2.gz RDMIFINBVKZJSN-JKSUJKDBSA-N -2 0 352.408 4.148 1 30 FIEFRL C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@H](C(C)(C)C(=O)[O-])[C@]2(C)CC(=O)[O-])O1 ZINC000015194963 220149131 /nfs/dbraw/zinc/14/91/31/220149131.db2.gz SNSXKAUSYCGEJL-RBXWUHOHSA-N -2 0 352.471 4.118 1 30 FIEFRL CCCCCCCCCCCC[C@H]1OC[C@@H](COP(=O)([O-])[O-])O1 ZINC000036179260 541108862 /nfs/dbraw/zinc/10/88/62/541108862.db2.gz RDMIFINBVKZJSN-HOTGVXAUSA-N -2 0 352.408 4.148 1 30 FIEFRL CCCC1(CCC)C(=O)C(=C([O-])C(C)C)C(=O)C(C(=O)C(C)C)=C1[O-] ZINC000100768559 222251611 /nfs/dbraw/zinc/25/16/11/222251611.db2.gz OILWAPJBDWQZEZ-UHFFFAOYSA-N -2 0 350.455 4.230 1 30 FIEFRL O=C([O-])C(=O)C=C([O-])c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 ZINC000101063300 222260714 /nfs/dbraw/zinc/26/07/14/222260714.db2.gz RLZOCCDYGUIPOU-IUXPMGMMSA-N -2 0 373.767 4.035 1 30 FIEFRL CCCCCCCCCCCC[C@@H]1OC[C@H](COP(=O)([O-])[O-])O1 ZINC000036179250 541108721 /nfs/dbraw/zinc/10/87/21/541108721.db2.gz RDMIFINBVKZJSN-HZPDHXFCSA-N -2 0 352.408 4.148 1 30 FIEFRL CCCCCCCCCCCC[C@H]1OC[C@H](COP(=O)([O-])[O-])O1 ZINC000036179254 541108926 /nfs/dbraw/zinc/10/89/26/541108926.db2.gz RDMIFINBVKZJSN-CVEARBPZSA-N -2 0 352.408 4.148 1 30 FIEFRL O=C([O-])c1ccccc1/C=C1\CCC/C(=C/c2ccccc2C(=O)[O-])C1=O ZINC000049073338 221018789 /nfs/dbraw/zinc/01/87/89/221018789.db2.gz KKKPEJGFUJRWJP-RFTYBOQRSA-N -2 0 362.381 4.303 1 30 FIEFRL