smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328963469 570179547 /nfs/dbraw/zinc/17/95/47/570179547.db2.gz BOKNMDVLCVSMKV-UHFFFAOYSA-N 2 2 490.486 3.770 40 5 JHBBLP O=C1c2cc(Br)cc([N+](=O)[O-])c2OCC1(C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000019144117 556331988 /nfs/dbraw/zinc/33/19/88/556331988.db2.gz GYMNVYNRTBATBC-UHFFFAOYSA-N 2 2 466.376 3.891 40 5 JHBBLP C[NH+](C)CCCNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329015324 570181819 /nfs/dbraw/zinc/18/18/19/570181819.db2.gz NACICPAQGQUVGV-UHFFFAOYSA-N 2 2 490.486 3.770 40 5 JHBBLP C[NH+](C)CCCNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328970749 570179932 /nfs/dbraw/zinc/17/99/32/570179932.db2.gz DLXUZPJDMXIYJI-UHFFFAOYSA-N 2 2 490.486 3.770 40 5 JHBBLP