smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2nc(SCC(=O)[O-])n(-c3ccccc3)c(=O)c2cc1OC ZINC000004294391 207010231 /nfs/dbraw/zinc/01/02/31/207010231.db2.gz AIZKICYDGWCDSD-UHFFFAOYSA-N -1 0 372.402 2.580 30 0 FFACRM O=C(Nc1ccccc1)c1nn(-c2ccccc2Br)c(=O)[n-]1 ZINC000036533603 208164117 /nfs/dbraw/zinc/16/41/17/208164117.db2.gz VRHYBLWUDUQWBX-UHFFFAOYSA-N -1 0 359.183 2.988 30 0 FFACRM O=C([O-])CNc1ncnc2c(Br)cc(Br)cc12 ZINC000004294371 207010624 /nfs/dbraw/zinc/01/06/24/207010624.db2.gz VXSPAJOJOCAXKP-UHFFFAOYSA-N -1 0 360.993 2.651 30 0 FFACRM O=C(OCc1ccccc1)c1nn(-c2ccc(Br)cc2)c(=O)[n-]1 ZINC000036533609 506407240 /nfs/dbraw/zinc/40/72/40/506407240.db2.gz MRDZDMUBDGRJFO-UHFFFAOYSA-N -1 0 374.194 2.680 30 0 FFACRM