smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1ccccc1)c1c(Cl)cc(Br)cc1Cl ZINC000016099998 210184562 /nfs/dbraw/zinc/18/45/62/210184562.db2.gz WOJSLYNFIHJICP-UHFFFAOYSA-N 0 2 381.078 4.557 20 0 GJADLN O=c1nc(CSc2nc3ccccc3n2-c2ccccc2)[nH]c2ccsc21 ZINC000005623564 212066717 /nfs/dbraw/zinc/06/67/17/212066717.db2.gz UVKWBPZGJQISBX-UHFFFAOYSA-N 0 2 390.493 4.616 20 0 GJADLN O=S(=O)(Nc1nc2c(ccc3ccccc23)s1)c1ccc(F)cc1F ZINC000016154035 207073480 /nfs/dbraw/zinc/07/34/80/207073480.db2.gz NFQBODVAWATBJT-UHFFFAOYSA-N 0 2 376.409 4.529 20 0 GJADLN CCOc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000016147652 206251745 /nfs/dbraw/zinc/25/17/45/206251745.db2.gz OXCGUQKTZGQKIV-UHFFFAOYSA-N 0 2 379.787 4.558 20 0 GJADLN O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)cc1F ZINC000016151625 212104463 /nfs/dbraw/zinc/10/44/63/212104463.db2.gz HAEHHMPPRJQKDL-UHFFFAOYSA-N 0 2 386.178 4.535 20 0 GJADLN CC(C)(C)c1nc2cc(NS(=O)(=O)c3cccc(Cl)c3F)ccc2o1 ZINC000071975794 222201150 /nfs/dbraw/zinc/20/11/50/222201150.db2.gz JAJIZTBNVCOJRZ-UHFFFAOYSA-N 0 2 382.844 4.719 20 0 GJADLN