smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(NCC[NH3+])cc(Nc2ccccc2)[nH+]1 ZINC000217677792 180018261 /nfs/dbraw/zinc/01/82/61/180018261.db2.gz DYGPODSIFGHCAK-UHFFFAOYSA-N 2 1 243.314 1.899 40 70 BDIBMP Cc1nn(CC[NH+](C)C)c(C)c1NC1=[NH+]CCC1 ZINC000217804662 180387889 /nfs/dbraw/zinc/38/78/89/180387889.db2.gz SPMWAJNGTHNPAP-UHFFFAOYSA-N 2 1 249.362 1.666 40 70 BDIBMP C[NH+](C)CCn1cc(NC2=[NH+]CCC2)cn1 ZINC000217803148 388382131 /nfs/dbraw/zinc/38/21/31/388382131.db2.gz SPRSOYRHTUKSOT-UHFFFAOYSA-N 2 1 221.308 1.049 40 70 BDIBMP