smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1nccnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000097402232 569745007 /nfs/dbraw/zinc/74/50/07/569745007.db2.gz FENTUGVIWISBBJ-GHRIWEEISA-N -1 2 494.489 1.865 50 10 JDCALM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)[O-] ZINC000009259822 520629231 /nfs/dbraw/zinc/62/92/31/520629231.db2.gz UYZPNOVFWMYZBT-VGOFMYFVSA-N -1 2 454.391 1.944 50 10 JDCALM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000008424758 554579709 /nfs/dbraw/zinc/57/97/09/554579709.db2.gz FENTUGVIWISBBJ-LGMDPLHJSA-N -1 2 494.489 1.865 50 10 JDCALM