smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000002027042 567844184 /nfs/dbraw/zinc/84/41/84/567844184.db2.gz WSFYPFLCEFLXOZ-LBPRGKRZSA-N -2 0 258.358 3.693 50 30 CHEARL CCCCCCCc1c(C(=O)[O-])cc(C)cc1C(=O)[O-] ZINC000002296288 169784799 /nfs/dbraw/zinc/78/47/99/169784799.db2.gz BQBMFWJKOSAEFI-UHFFFAOYSA-N -2 0 278.348 3.904 50 30 CHEARL CCCCCCCCCCC(Cl)(C(=O)[O-])C(=O)[O-] ZINC000002573724 567848512 /nfs/dbraw/zinc/84/85/12/567848512.db2.gz UXRMAGVIGKUBFL-UHFFFAOYSA-N -2 0 278.776 3.664 50 30 CHEARL Cc1cc(C)c(O)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1 ZINC000004368335 567864113 /nfs/dbraw/zinc/86/41/13/567864113.db2.gz JZKGVQDOUYSVJH-VMPITWQZSA-N -2 0 296.322 3.603 50 30 CHEARL CC1(C)CC(=O)C(Sc2ccccc2C(=O)[O-])=C([O-])C1 ZINC000000344135 567825911 /nfs/dbraw/zinc/82/59/11/567825911.db2.gz FEDZUMAPIQOOTL-UHFFFAOYSA-N -2 0 292.356 3.636 50 30 CHEARL CCCCCCCCCCCCNP(=O)([O-])[O-] ZINC000001603333 567839503 /nfs/dbraw/zinc/83/95/03/567839503.db2.gz QKPVBMJANUPLSV-UHFFFAOYSA-N -2 0 265.334 3.590 50 30 CHEARL CCCCCCCCCC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000001603111 567839293 /nfs/dbraw/zinc/83/92/93/567839293.db2.gz WSFYPFLCEFLXOZ-GFCCVEGCSA-N -2 0 258.358 3.693 50 30 CHEARL O=P([O-])([O-])OCCCCCCCCCCCS ZINC000044630076 175222497 /nfs/dbraw/zinc/22/24/97/175222497.db2.gz XPYXJSSCWCSOFO-UHFFFAOYSA-N -2 0 284.358 3.536 50 30 CHEARL