smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CCN(C)C3(CCN(c4ncccc4NC(=O)CCl)CC3)C2=O)cs1 ZINC001164819513 720377404 /nfs/dbraw/zinc/37/74/04/720377404.db2.gz FIVDMMZFBVMRPW-UHFFFAOYSA-N 0 0 463.007 2.337 20 50 JEGDRN Cc1nc(CN2CCOC[C@]3(CN(c4ccc(NC(=O)CCl)cn4)CCO3)C2)cs1 ZINC001164924559 721833616 /nfs/dbraw/zinc/83/36/16/721833616.db2.gz NFEWAEOTEYZRRC-HXUWFJFHSA-N 0 0 451.980 2.132 20 50 JEGDRN Cc1nc(CN2CCOC[C@@]3(CN(c4ncccc4NC(=O)CCl)CCO3)C2)cs1 ZINC001164920637 721831795 /nfs/dbraw/zinc/83/17/95/721831795.db2.gz GTVPHMVPKJSXTN-FQEVSTJZSA-N 0 0 451.980 2.132 20 50 JEGDRN Cc1nc(CN2CCOC[C@]3(CN(c4ncccc4NC(=O)CCl)CCO3)C2)cs1 ZINC001164920639 721831766 /nfs/dbraw/zinc/83/17/66/721831766.db2.gz GTVPHMVPKJSXTN-HXUWFJFHSA-N 0 0 451.980 2.132 20 50 JEGDRN Cc1nc(CN2CCN(C)C3(CCN(c4ccc(NC(=O)CCl)cn4)CC3)C2=O)cs1 ZINC001164823708 720382536 /nfs/dbraw/zinc/38/25/36/720382536.db2.gz PLGMFBAAPNQCEV-UHFFFAOYSA-N 0 0 463.007 2.337 20 50 JEGDRN Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(NC(=O)CCl)cn4)CCO3)C2)cs1 ZINC001164924558 721833544 /nfs/dbraw/zinc/83/35/44/721833544.db2.gz NFEWAEOTEYZRRC-FQEVSTJZSA-N 0 0 451.980 2.132 20 50 JEGDRN