smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000011661040 209877511 /nfs/dbraw/zinc/87/75/11/209877511.db2.gz OMTYZXSTXASTPA-NRFANRHFSA-N 0 3 391.490 4.750 10 10 GJCEHN COc1cc(C)cc2c(-c3c(O)cc([O-])c4c3C[C@@H](C)[NH2+][C@@H]4C)ccc(O)c12 ZINC000003811680 206261192 /nfs/dbraw/zinc/26/11/92/206261192.db2.gz JOXWHCNNDTWJPX-CHWSQXEVSA-N 0 3 379.456 4.536 10 10 in-vitro GJCEHN