smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NCCC[NH2+]CCCC[NH2+]CCCN ZINC000003870097 187247256 /nfs/dbraw/zinc/24/72/56/187247256.db2.gz GUNURVWAJRRUAV-UHFFFAOYSA-N 2 3 244.383 -0.179 50 0 endogenous,in-man BBAAHP C[NH2+]CCCNCCNCCC[NH2+]C ZINC000019367489 173348608 /nfs/dbraw/zinc/34/86/08/173348608.db2.gz DPOMNHXIZQXWGJ-UHFFFAOYSA-N 2 3 202.346 -0.615 50 0 BBAAHP CN(C)CCN(CCC[NH3+])CCC[NH3+] ZINC000033605168 386379317 /nfs/dbraw/zinc/37/93/17/386379317.db2.gz YCWVTMPODMQZHM-UHFFFAOYSA-N 2 3 202.346 -0.452 50 0 BBAAHP CN(CCC[NH3+])CCN(C)CCC[NH3+] ZINC000034478996 343271984 /nfs/dbraw/zinc/27/19/84/343271984.db2.gz COJUXMTZOSXAOW-UHFFFAOYSA-N 2 3 202.346 -0.452 50 0 BBAAHP