smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCNC(=O)CC1S/C(=N/N=C2/C(=O)Nc3ccc(Br)cc32)NC1=O ZINC000016805901 527590629 /nfs/dbraw/zinc/59/06/29/527590629.db2.gz FNVXDBUOEAXOMX-JTQLQIEISA-N -1 2 468.289 0.674 40 30 JCEBLM O=C([O-])CCNC(=O)C[C@@H]1S/C(=N/N=C2/C(=O)Nc3ccc(Br)cc32)NC1=O ZINC000016805901 527590624 /nfs/dbraw/zinc/59/06/24/527590624.db2.gz FNVXDBUOEAXOMX-JTQLQIEISA-N -1 2 468.289 0.674 40 30 JCEBLM O=C([O-])CCNC(=O)CC1S/C(=N/N=C2/C(=O)Nc3ccc(Br)cc32)NC1=O ZINC000016805903 527591199 /nfs/dbraw/zinc/59/11/99/527591199.db2.gz FNVXDBUOEAXOMX-SNVBAGLBSA-N -1 2 468.289 0.674 40 30 JCEBLM O=C([O-])CCNC(=O)C[C@H]1S/C(=N/N=C2/C(=O)Nc3ccc(Br)cc32)NC1=O ZINC000016805903 527591194 /nfs/dbraw/zinc/59/11/94/527591194.db2.gz FNVXDBUOEAXOMX-SNVBAGLBSA-N -1 2 468.289 0.674 40 30 JCEBLM