smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCCCC[N+]1(C)CCCCC1 ZINC000390834877 525357684 /nfs/dbraw/zinc/35/76/84/525357684.db2.gz LCKNENOEJPNSSL-UHFFFAOYSA-N 2 0 242.451 2.884 50 5 BFBARP C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 ZINC000002041380 383945717 /nfs/dbraw/zinc/94/57/17/383945717.db2.gz XSBSKEQEUFOSDD-UHFFFAOYSA-N 2 0 240.435 2.638 50 5 world BFBARP [NH3+]Cc1cccc2cc3cccc(C[NH3+])c3cc21 ZINC000196017456 356472751 /nfs/dbraw/zinc/47/27/51/356472751.db2.gz NTFMELQYTBAEQP-UHFFFAOYSA-N 2 0 236.318 2.910 50 5 BFBARP CCCC[N+](C)(C)CC[N+](C)(C)CCCC ZINC000001704446 169016617 /nfs/dbraw/zinc/01/66/17/169016617.db2.gz NPMISLFPFLZDGM-UHFFFAOYSA-N 2 0 230.440 2.739 50 5 BFBARP