smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c([O-])c2ccccc2oc1=O ZINC000217844028 206365970 /nfs/dbraw/zinc/36/59/70/206365970.db2.gz MKYYDOAQGQHGJH-LBPRGKRZSA-N -1 0 374.776 3.553 50 70 FHIARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2C1CCCCC1 ZINC000218034133 571352150 /nfs/dbraw/zinc/35/21/50/571352150.db2.gz COAPQCPAGSXLDS-ZDUSSCGKSA-N -1 0 370.401 3.983 50 70 FHIARM Cc1nc2sc([C@H](c3ccc(F)c(Cl)c3)N3CCCC3)c([O-])n2n1 ZINC000218549873 206372601 /nfs/dbraw/zinc/37/26/01/206372601.db2.gz RWJDTOVJOMCIFD-ZDUSSCGKSA-N -1 0 366.849 3.783 50 70 FHIARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccsc1 ZINC000218063701 203878936 /nfs/dbraw/zinc/87/89/36/203878936.db2.gz PZEKLHFAEQMXPG-NSHDSACASA-N -1 0 370.382 3.512 50 70 FHIARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccsc1 ZINC000218063773 206760164 /nfs/dbraw/zinc/76/01/64/206760164.db2.gz PZEKLHFAEQMXPG-LLVKDONJSA-N -1 0 370.382 3.512 50 70 FHIARM COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c([O-])c2ccccc2oc1=O ZINC000217843915 571351046 /nfs/dbraw/zinc/35/10/46/571351046.db2.gz MKYYDOAQGQHGJH-GFCCVEGCSA-N -1 0 374.776 3.553 50 70 FHIARM Cc1nc2sc([C@@H](c3ccc(F)c(Cl)c3)N3CCCC3)c([O-])n2n1 ZINC000218549797 222683593 /nfs/dbraw/zinc/68/35/93/222683593.db2.gz RWJDTOVJOMCIFD-CYBMUJFWSA-N -1 0 366.849 3.783 50 70 FHIARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2C1CCCCC1 ZINC000218034229 571352166 /nfs/dbraw/zinc/35/21/66/571352166.db2.gz COAPQCPAGSXLDS-CYBMUJFWSA-N -1 0 370.401 3.983 50 70 FHIARM