smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@H]2[NH2+][C@@H](CO)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1O ZINC000065436092 205350352 /nfs/dbraw/zinc/35/03/52/205350352.db2.gz HRQVLOKKBVHXGJ-HLNWXESRSA-N 2 1 354.450 2.154 50 10 FECAMP COc1cccc([C@H]2[NH2+][C@@H](CO)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1O ZINC000065436092 205350356 /nfs/dbraw/zinc/35/03/56/205350356.db2.gz HRQVLOKKBVHXGJ-HLNWXESRSA-N 2 1 354.450 2.154 50 10 FECAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3O)C[C@@H]2CCO)CC1 ZINC000023358315 211384760 /nfs/dbraw/zinc/38/47/60/211384760.db2.gz LKWULCJLDSAUCB-FQEVSTJZSA-N 2 1 361.530 2.134 50 10 FECAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3O)C[C@H]2CCO)CC1 ZINC000104465389 543132283 /nfs/dbraw/zinc/13/22/83/543132283.db2.gz LKWULCJLDSAUCB-HXUWFJFHSA-N 2 1 361.530 2.134 50 10 FECAMP