smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000001153688 132239327 /nfs/dbraw/zinc/23/93/27/132239327.db2.gz FSQDNUDLXQQUMS-UYRXBGFRSA-N 0 1 421.453 2.194 10 10 HECEMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCOCC2)o1 ZINC000004473904 132277471 /nfs/dbraw/zinc/27/74/71/132277471.db2.gz QCZNRBZYYHRWHF-QBFSEMIESA-N 0 1 401.419 2.087 10 10 HECEMN CCN1CCN(C(=O)C(=Cc2ccc(N(C)C)cc2)Sc2nc(C)n[nH]2)CC1 ZINC000048513206 558845521 /nfs/dbraw/zinc/84/55/21/558845521.db2.gz ZTHZJKWSYBMKEY-NBVRZTHBSA-N 0 1 400.552 2.476 10 10 HECEMN COc1cccc(N2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)C(=O)NC2=S)c1 ZINC000005918596 132308495 /nfs/dbraw/zinc/30/84/95/132308495.db2.gz KIKASTMWBGFEIJ-AUWJEWJLSA-N 0 1 414.439 2.249 10 10 HECEMN