smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [SiH3][NH+]([SiH2][N@H+]([SiH3])C1CC1)C1CC1 ZINC000584644557 358329063 /nfs/dbraw/zinc/32/90/63/358329063.db2.gz BFLHEUCYPUGKIJ-UHFFFAOYSA-N 2 1 202.482 -2.525 10 70 BAIEMP [SiH3][NH+]([SiH2][N@@H+]([SiH3])C1CC1)C1CC1 ZINC000584644557 358329059 /nfs/dbraw/zinc/32/90/59/358329059.db2.gz BFLHEUCYPUGKIJ-UHFFFAOYSA-N 2 1 202.482 -2.525 10 70 BAIEMP [SiH3]N([SiH2][N@@H+]([SiH3])C1CC1)C1CC1 ZINC000584644557 358329057 /nfs/dbraw/zinc/32/90/57/358329057.db2.gz BFLHEUCYPUGKIJ-UHFFFAOYSA-N 2 1 202.482 -2.525 10 70 BAIEMP [SiH3][NH+]([SiH2][N@H+]([SiH3])C1CCC1)C1CCC1 ZINC000584644683 358329713 /nfs/dbraw/zinc/32/97/13/358329713.db2.gz SIYPJIQQJLUTKM-UHFFFAOYSA-N 2 1 230.536 -1.745 10 70 BAIEMP CC(C)[NH+]([SiH3])[SiH2][N@H+]([SiH3])C(C)C ZINC000584651786 358307002 /nfs/dbraw/zinc/30/70/02/358307002.db2.gz IQRMXLPPTAFXAU-UHFFFAOYSA-N 2 1 206.514 -2.033 10 70 BAIEMP