smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)C(=Cc2c(=O)n3ccccc3nc2N2CC[NH+](C)CC2)C(=O)N(C)C1=O ZINC000002390127 536425377 /nfs/dbraw/zinc/42/53/77/536425377.db2.gz XWVOCAJAUSIIBN-UHFFFAOYSA-N 1 1 410.434 -0.120 50 10 HBCAMO COc1ccc(OC)c(N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=S)c1 ZINC000019362811 558876603 /nfs/dbraw/zinc/87/66/03/558876603.db2.gz LNALEUPPICYLPS-WYMLVPIESA-N 1 1 419.507 -0.170 50 10 HBCAMO CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC[NH+](C)C)N2CCN(C)CC2)cc1 ZINC000022594160 568771167 /nfs/dbraw/zinc/77/11/67/568771167.db2.gz UNNUFQCXUIBYHJ-IBGZPJMESA-N 1 1 404.559 -0.165 50 10 HBCAMO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[NH+](C)C)N2CCN(C)CC2)cc1 ZINC000022594166 568771164 /nfs/dbraw/zinc/77/11/64/568771164.db2.gz UNNUFQCXUIBYHJ-LJQANCHMSA-N 1 1 404.559 -0.165 50 10 HBCAMO