smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000216899070 402290009 /nfs/dbraw/zinc/29/00/09/402290009.db2.gz LUBOKIDPKMKXBF-HZPDHXFCSA-N 2 0 309.498 2.203 40 70 DEIBRP CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000216899259 402289947 /nfs/dbraw/zinc/28/99/47/402289947.db2.gz DVXPJXWWYHCBFD-QGZVFWFLSA-N 2 0 309.498 2.489 40 70 DEIBRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000216899102 402290261 /nfs/dbraw/zinc/29/02/61/402290261.db2.gz LUBOKIDPKMKXBF-IYBDPMFKSA-N 2 0 309.498 2.203 40 70 DEIBRP CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000216899294 257232792 /nfs/dbraw/zinc/23/27/92/257232792.db2.gz DVXPJXWWYHCBFD-KRWDZBQOSA-N 2 0 309.498 2.489 40 70 DEIBRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000216899134 402290064 /nfs/dbraw/zinc/29/00/64/402290064.db2.gz LUBOKIDPKMKXBF-HOTGVXAUSA-N 2 0 309.498 2.203 40 70 DEIBRP