smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[n+]1cccc([C@@H]2CCC[N@H+]2C)c1 ZINC000042922995 187948324 /nfs/dbraw/zinc/94/83/24/187948324.db2.gz PPXAZJZURJHVMV-AWEZNQCLSA-N 2 1 219.352 2.541 1 0 BFAFMP CC[NH2+][C@@H]1CCCc2[nH+]c3ccccc3c(N)c21 ZINC000003802311 170151875 /nfs/dbraw/zinc/15/18/75/170151875.db2.gz ASJZMSBXFBKBDW-GFCCVEGCSA-N 2 1 241.338 2.804 1 0 BFAFMP CC[C@H](C)[C@@H](C[NH3+])[NH2+]CC1(c2ccccc2)CC1 ZINC000036389277 171368386 /nfs/dbraw/zinc/36/83/86/171368386.db2.gz CDOWYTWQQBRABK-DZGCQCFKSA-N 2 1 246.398 2.681 3 0 BFAFMP CC[NH2+][C@H]1CCCc2[nH+]c3ccccc3c(N)c21 ZINC000000011458 170167126 /nfs/dbraw/zinc/16/71/26/170167126.db2.gz ASJZMSBXFBKBDW-LBPRGKRZSA-N 2 1 241.338 2.804 1 0 BFAFMP