smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000217387893 395838371 /nfs/dbraw/zinc/83/83/71/395838371.db2.gz QSLQVIBFXQMVCH-ARFHVFGLSA-N 2 2 319.449 0.970 40 70 DCIBLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000217387893 395838373 /nfs/dbraw/zinc/83/83/73/395838373.db2.gz QSLQVIBFXQMVCH-ARFHVFGLSA-N 2 2 319.449 0.970 40 70 DCIBLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000217387829 395838541 /nfs/dbraw/zinc/83/85/41/395838541.db2.gz QSLQVIBFXQMVCH-XHSDSOJGSA-N 2 2 319.449 0.970 40 70 DCIBLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000217387829 395838543 /nfs/dbraw/zinc/83/85/43/395838543.db2.gz QSLQVIBFXQMVCH-XHSDSOJGSA-N 2 2 319.449 0.970 40 70 DCIBLP