smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[NH+](C)C)c2c1 ZINC000004769462 204162629 /nfs/dbraw/zinc/16/26/29/204162629.db2.gz TVWJQJOUPWKFKT-UHFFFAOYSA-N 2 0 357.885 4.804 40 10 FJCBRP CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3ccc(OC)cc23)ccc1O ZINC000001729641 210368460 /nfs/dbraw/zinc/36/84/60/210368460.db2.gz GDEWTNPUQPVYHV-UHFFFAOYSA-N 2 0 351.450 4.534 40 10 FJCBRP CC[NH+](CC)Cc1cc(Oc2ccc(O)c(C[NH+](CC)CC)c2)ccc1O ZINC000001594810 210361932 /nfs/dbraw/zinc/36/19/32/210361932.db2.gz DQVKKAGWZLCNID-UHFFFAOYSA-N 2 0 372.509 4.574 40 10 FJCBRP C[NH+](Cc1cc(O)c(C[N@@H+](C)C2CCCCC2)cc1O)C1CCCCC1 ZINC000001680961 570504477 /nfs/dbraw/zinc/50/44/77/570504477.db2.gz UYTNPQCBQWCURC-UHFFFAOYSA-N 2 0 360.542 4.627 40 10 FJCBRP