smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000035421579 569036259 /nfs/dbraw/zinc/03/62/59/569036259.db2.gz WPJOBWJREFXKCK-UHFFFAOYSA-N 2 2 413.522 0.545 50 30 HCEALP C=CCNC(=O)N1CC[NH+]([C@H](C(=O)NCCC[NH+]2CCOCC2)C2CCCC2)CC1 ZINC000036310999 569132216 /nfs/dbraw/zinc/13/22/16/569132216.db2.gz JCQAXVOVTGNQNS-FQEVSTJZSA-N 2 2 421.586 0.897 50 30 HCEALP C=CCNC(=O)N1CC[NH+]([C@@H](C(=O)NCCC[NH+]2CCOCC2)C2CCCC2)CC1 ZINC000036311001 569132200 /nfs/dbraw/zinc/13/22/00/569132200.db2.gz JCQAXVOVTGNQNS-HXUWFJFHSA-N 2 2 421.586 0.897 50 30 HCEALP O=c1c(/C=N/CC[NH+]2CCOCC2)c(NCC[NH+]2CCOCC2)nc2ccccn21 ZINC000096517715 569284902 /nfs/dbraw/zinc/28/49/02/569284902.db2.gz KCMWTNISJSFXJB-OQKWZONESA-N 2 2 414.510 0.190 50 30 HCEALP