smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1 ZINC000002503750 377149860 /nfs/dbraw/zinc/14/98/60/377149860.db2.gz KNFQHDZNYKCAAT-UHFFFAOYSA-N -2 1 339.329 -0.452 40 0 EBABML O=c1[n-]c(=S)ccn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O ZINC000013518042 376114273 /nfs/dbraw/zinc/11/42/73/376114273.db2.gz CKTAUHRBDDXUDJ-XVFCMESISA-N -3 1 340.250 -0.953 40 0 in-vitro EBABML Cc1ccc(Nc2[nH]c(=O)[n-]c(=O)c2C(N)=O)c(S(=O)(=O)[O-])c1 ZINC000001598098 375876680 /nfs/dbraw/zinc/87/66/80/375876680.db2.gz DXZYHJCYQVXSLC-UHFFFAOYSA-N -2 1 340.317 -0.539 40 0 EBABML O=c1[n-][nH]c(=O)c2c1Nc1c(=O)[nH][n-]c(=O)c1C2c1ccncc1 ZINC000008672821 375923138 /nfs/dbraw/zinc/92/31/38/375923138.db2.gz GKWXMNWBOIFQTJ-UHFFFAOYSA-N -2 1 326.272 -0.103 40 0 EBABML