smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc3c(C(=O)NCC[NH+](C)C)cccc3c(N)c2c1 ZINC000006071364 181310853 /nfs/dbraw/zinc/31/08/53/181310853.db2.gz XJZPZEACWDVONV-UHFFFAOYSA-N 1 3 322.412 2.570 10 10 DFCEHO C[NH+](C)CCCNC(=O)c1cccc2c(N)c3ccccc3nc12 ZINC000005957683 181300803 /nfs/dbraw/zinc/30/08/03/181300803.db2.gz VNWAULKXOPRJEL-UHFFFAOYSA-N 1 3 322.412 2.652 10 10 in-vivo DFCEHO CN(CC[NH+](C)C)C(=O)c1cccc2c(N)c3ccccc3nc12 ZINC000005957777 181300939 /nfs/dbraw/zinc/30/09/39/181300939.db2.gz RAYBUIRHJKYHIC-UHFFFAOYSA-N 1 3 322.412 2.604 10 10 DFCEHO Cc1cccc2c(N)c3cccc(C(=O)NCC[NH+](C)C)c3nc12 ZINC000005822871 181286719 /nfs/dbraw/zinc/28/67/19/181286719.db2.gz GZQOFEOTVUDSLP-UHFFFAOYSA-N 1 3 322.412 2.570 10 10 DFCEHO