smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)C(=Cc3ccc(Br)s3)C(=O)NC2=S)cc1Cl ZINC000020395305 557013343 /nfs/dbraw/zinc/01/33/43/557013343.db2.gz FHVWDDOBSWYFQI-XFFZJAGNSA-N 0 1 441.759 5.144 10 10 IKCEMN CCN(CC)S(=O)(=O)c1ccc(N=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 ZINC000012403409 520790561 /nfs/dbraw/zinc/79/05/61/520790561.db2.gz OVISZHCUYKLVFP-OCEACIFDSA-N 0 1 445.629 6.433 10 10 IKCEMN C(=Cc1ccccc1)c1nc(-c2ccc3c(c2)sc2ccccc23)c(-c2ccccc2)[nH]1 ZINC000020508771 518370705 /nfs/dbraw/zinc/37/07/05/518370705.db2.gz IKPOWDIDDFDRQX-OBGWFSINSA-N 0 1 428.560 8.282 10 10 IKCEMN