smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@](CO)(NCC[N+](=O)[O-])C(=O)[O-] 1592749727 979305111 /nfs/dbraw/zinc/30/51/11/979305111.db2.gz LZOGVVYHBCBNFE-ZCFIWIBFSA-N -1 3 192.171 -1.312 20 5 AABDHM C[C@@](CO)(NCC[N+](=O)[O-])C(=O)[O-] 1592749717 979305372 /nfs/dbraw/zinc/30/53/72/979305372.db2.gz LZOGVVYHBCBNFE-LURJTMIESA-N -1 3 192.171 -1.312 20 5 AABDHM CO[N-]C(=O)CNCC[N+](=O)[O-] 1334776197 1170342694 /nfs/dbraw/zinc/34/26/94/1170342694.db2.gz JXJNOOYMYCWNJM-UHFFFAOYSA-N -1 3 177.160 -1.470 20 5 AABDHM CCO[N-]C(=O)CNCC[N+](=O)[O-] 1336830728 1170384331 /nfs/dbraw/zinc/38/43/31/1170384331.db2.gz UXYJABCYWOCGHS-UHFFFAOYSA-N -1 3 191.187 -1.080 20 5 AABDHM