smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(C(=O)NCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O)c1OC ZINC000028474648 207342269 /nfs/dbraw/zinc/34/22/69/207342269.db2.gz KBDGNBWMTZJBGB-UHFFFAOYSA-N -2 2 399.229 -0.175 1 0 GBAFLL COc1cccc(C(=O)NCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)c1OC ZINC000028474648 207342260 /nfs/dbraw/zinc/34/22/60/207342260.db2.gz KBDGNBWMTZJBGB-UHFFFAOYSA-N -2 2 399.229 -0.175 1 0 GBAFLL C[C@H](Cn1cnc2c1nc(N)nc2NCP(=O)([O-])O)OC[P@](=O)([O-])O ZINC000095588493 211280483 /nfs/dbraw/zinc/28/04/83/211280483.db2.gz BFMRNIZKIOJGDZ-ZCFIWIBFSA-N -2 2 396.237 -0.504 1 0 GBAFLL C[C@H](Cn1cnc2c1nc(N)nc2NCP(=O)([O-])O)OC[P@@](=O)([O-])O ZINC000095588493 211280478 /nfs/dbraw/zinc/28/04/78/211280478.db2.gz BFMRNIZKIOJGDZ-ZCFIWIBFSA-N -2 2 396.237 -0.504 1 0 GBAFLL C[C@H](Cn1cnc2c1nc(N)nc2NC[P@](=O)([O-])O)OCP(=O)([O-])O ZINC000095588493 211280471 /nfs/dbraw/zinc/28/04/71/211280471.db2.gz BFMRNIZKIOJGDZ-ZCFIWIBFSA-N -2 2 396.237 -0.504 1 0 GBAFLL C[C@H](Cn1cnc2c1nc(N)nc2NC[P@@](=O)([O-])O)OCP(=O)([O-])O ZINC000095588493 211280468 /nfs/dbraw/zinc/28/04/68/211280468.db2.gz BFMRNIZKIOJGDZ-ZCFIWIBFSA-N -2 2 396.237 -0.504 1 0 GBAFLL