smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1C[N@@H+]1CCCC[C@@]1(O)c1cccnc1 ZINC000096922419 185130909 /nfs/dbraw/zinc/13/09/09/185130909.db2.gz BBKITNAKQHKIJO-QGZVFWFLSA-N 1 1 284.359 2.618 1 10 CFCFMO Oc1ccccc1C[N@H+]1CCCC[C@@]1(O)c1cccnc1 ZINC000096922419 185130910 /nfs/dbraw/zinc/13/09/10/185130910.db2.gz BBKITNAKQHKIJO-QGZVFWFLSA-N 1 1 284.359 2.618 1 10 CFCFMO Oc1ccccc1C[N@@H+]1CCCC[C@]1(O)c1cccnc1 ZINC000096922418 185131438 /nfs/dbraw/zinc/13/14/38/185131438.db2.gz BBKITNAKQHKIJO-KRWDZBQOSA-N 1 1 284.359 2.618 1 10 CFCFMO Oc1ccccc1C[N@H+]1CCCC[C@]1(O)c1cccnc1 ZINC000096922418 185131439 /nfs/dbraw/zinc/13/14/39/185131439.db2.gz BBKITNAKQHKIJO-KRWDZBQOSA-N 1 1 284.359 2.618 1 10 CFCFMO COc1ccc2c(c1O)[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC2 ZINC000034310303 560087382 /nfs/dbraw/zinc/08/73/82/560087382.db2.gz QRKWLDOOAQAGAE-OAHLLOKOSA-N 1 1 299.370 2.878 1 10 endogenous,in-man CFCFMO CCC[N@H+]1CC[C@H]2CCc3cc(O)c(O)cc3[C@H]2C1 ZINC000071280448 176108946 /nfs/dbraw/zinc/10/89/46/176108946.db2.gz JINMEYABTYRTEZ-RISCZKNCSA-N 1 1 261.365 2.860 1 10 CFCFMO