smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CCn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C ZINC000002413742 220532312 /nfs/dbraw/zinc/53/23/12/220532312.db2.gz HBVSEXPCXIQVHE-UHFFFAOYSA-N -2 3 390.360 -1.397 50 30 GAEAHL CC(C)Cn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C ZINC000009292742 519487726 /nfs/dbraw/zinc/48/77/26/519487726.db2.gz RMNUENYMZFKPAH-UHFFFAOYSA-N -2 3 376.333 -1.787 50 30 GAEAHL CCCCn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C ZINC000010272097 570262455 /nfs/dbraw/zinc/26/24/55/570262455.db2.gz VYWGMRPTLOWETL-UHFFFAOYSA-N -2 3 376.333 -1.643 50 30 GAEAHL