smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCCC)co2)CC1 ZINC000034677288 518305089 /nfs/dbraw/zinc/30/50/89/518305089.db2.gz UNIZCUYTKDZKIP-HNNXBMFYSA-N 1 1 364.446 -0.057 10 30 FBEEMO C#CCOC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCCC)co2)CC1 ZINC000034677289 518312838 /nfs/dbraw/zinc/31/28/38/518312838.db2.gz UNIZCUYTKDZKIP-OAHLLOKOSA-N 1 1 364.446 -0.057 10 30 FBEEMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000185178429 484505634 /nfs/dbraw/zinc/50/56/34/484505634.db2.gz MHAMANCSRKDOSB-RBSFLKMASA-N 1 1 364.471 -0.116 10 30 FBEEMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000185178429 484505631 /nfs/dbraw/zinc/50/56/31/484505631.db2.gz MHAMANCSRKDOSB-RBSFLKMASA-N 1 1 364.471 -0.116 10 30 FBEEMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000248393822 484894486 /nfs/dbraw/zinc/89/44/86/484894486.db2.gz MHAMANCSRKDOSB-QLFBSQMISA-N 1 1 364.471 -0.116 10 30 FBEEMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000248393822 484894480 /nfs/dbraw/zinc/89/44/80/484894480.db2.gz MHAMANCSRKDOSB-QLFBSQMISA-N 1 1 364.471 -0.116 10 30 FBEEMO C[NH+]=C(NC[C@@H]1CCCN1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261731835 658925699 /nfs/dbraw/zinc/92/56/99/658925699.db2.gz JOPXLTCCJPGJSM-GUYCJALGSA-N 1 1 350.467 -0.034 10 30 FBEEMO C[NH+]=C(NC[C@@H]1CCCN1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261731836 658925788 /nfs/dbraw/zinc/92/57/88/658925788.db2.gz JOPXLTCCJPGJSM-SUMWQHHRSA-N 1 1 350.467 -0.034 10 30 FBEEMO