smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C[C@H](O)C[C@H](O)CCc1c(Cl)cc(Cl)cc1OCc1ccccc1 ZINC000029328481 581099763 /nfs/dbraw/zinc/09/97/63/581099763.db2.gz VWKZOIOUHUHQKZ-HZPDHXFCSA-N -1 2 413.297 4.092 1 0 in-vitro HIAFLM O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1CC1CCCCC1 ZINC000013824710 581099728 /nfs/dbraw/zinc/09/97/28/581099728.db2.gz JFBQKTMQLRVNBD-CVEARBPZSA-N -1 2 405.318 4.082 1 0 HIAFLM O=C([O-])C[C@H](O)C[C@@H](O)COc1c(Cl)cc(Cl)cc1CC1CCCCC1 ZINC000026747324 581099718 /nfs/dbraw/zinc/09/97/18/581099718.db2.gz JFBQKTMQLRVNBD-HZPDHXFCSA-N -1 2 405.318 4.082 1 0 HIAFLM CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C[C@@H](C(C)(C)O)O2 ZINC000003645834 291261334 /nfs/dbraw/zinc/26/13/34/291261334.db2.gz LKFQSODZCVNSSG-IBGZPJMESA-N -1 2 422.477 4.454 1 0 biogenic,in-vitro HIAFLM