smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N(O)CC[C@H](n1ccnn1)[P@](=O)([O-])O ZINC000095595163 185013861 /nfs/dbraw/zinc/01/38/61/185013861.db2.gz QNIWJIBJYINTNF-SSDOTTSWSA-N -1 1 264.178 -0.418 1 30 CBEFMM CC(=O)N(O)CC[C@@H](n1ccnn1)[P@](=O)([O-])O ZINC000095595162 185014334 /nfs/dbraw/zinc/01/43/34/185014334.db2.gz QNIWJIBJYINTNF-ZETCQYMHSA-N -1 1 264.178 -0.418 1 30 CBEFMM O=C([O-])CN(CCS)CC[N@@H+](CCS)CC(=O)[O-] ZINC000022043411 171350377 /nfs/dbraw/zinc/35/03/77/171350377.db2.gz OFFQAZUXMDXRTH-UHFFFAOYSA-N -1 1 296.414 -0.381 1 30 CBEFMM