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)[NH+](C(C)C)[C@@H](C)CCNc1c2ccccc2nc2cc(Cl)ccc21 ZINC000005962878 570463467 /nfs/dbraw/zinc/46/34/67/570463467.db2.gz RHECKGVEGPLKGT-KRWDZBQOSA-N 1 3 383.967 6.351 40 10 GKCBHO CC[NH+](CC)CCC[C@H](C)Nc1c2cc(Cl)ccc2nc2ccc(OC)cc21 ZINC000003876082 570868591 /nfs/dbraw/zinc/86/85/91/570868591.db2.gz SVUDQUZYHLUPQN-INIZCTEOSA-N 1 3 399.966 5.972 40 10 GKCBHO CC[NH+](CC)CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc21 ZINC000004416106 570374516 /nfs/dbraw/zinc/37/45/16/570374516.db2.gz TXCSDESMIIXNRY-UHFFFAOYSA-N 1 3 385.939 5.584 40 10 GKCBHO CC[NH+](CC)CCC[C@@H](C)Nc1c2cc(Cl)ccc2nc2ccc(OC)cc21 ZINC000003876081 570868531 /nfs/dbraw/zinc/86/85/31/570868531.db2.gz SVUDQUZYHLUPQN-MRXNPFEDSA-N 1 3 399.966 5.972 40 10 GKCBHO COc1ccc2nc3cc(Cl)ccc3c(NCCC[NH+](C(C)C)C(C)C)c2c1 ZINC000004428955 570375171 /nfs/dbraw/zinc/37/51/71/570375171.db2.gz WNFXWPUUPCLXCF-UHFFFAOYSA-N 1 3 399.966 5.971 40 10 GKCBHO CC(C)[NH+](C(C)C)[C@H](C)CCNc1c2ccccc2nc2cc(Cl)ccc21 ZINC000004748380 204073081 /nfs/dbraw/zinc/07/30/81/204073081.db2.gz RHECKGVEGPLKGT-QGZVFWFLSA-N 1 3 383.967 6.351 40 10 GKCBHO