smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@@H](CC(N)=O)c2c(C)[n-][nH]c2=O)c2ccccc12 ZINC000218230643 241308838 /nfs/dbraw/zinc/30/88/38/241308838.db2.gz JEYBCFLKZSEGTG-CQSZACIVSA-N -1 1 325.368 2.181 50 70 EEIAMM Cc1noc(-c2c3c(sc2[N-]C(=O)c2ccno2)COCC3)n1 ZINC000217962670 282374156 /nfs/dbraw/zinc/37/41/56/282374156.db2.gz WIKQEMGOBDNPHB-UHFFFAOYSA-N -1 1 332.341 2.420 50 70 EEIAMM COc1ccc([C@H](CC(N)=O)c2c(C)[n-][nH]c2=O)c2ccccc12 ZINC000218230542 536911865 /nfs/dbraw/zinc/91/18/65/536911865.db2.gz JEYBCFLKZSEGTG-AWEZNQCLSA-N -1 1 325.368 2.181 50 70 EEIAMM