smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCC[C@H]1CNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304739174 685259162 /nfs/dbraw/zinc/25/91/62/685259162.db2.gz BCPQTWVBWZPXMB-KRWDZBQOSA-N 2 3 323.529 2.031 20 30 DEEDHP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303871012 685236193 /nfs/dbraw/zinc/23/61/93/685236193.db2.gz FOYYYELWTLEJSP-SJORKVTESA-N 2 3 323.529 2.030 20 30 DEEDHP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303871012 685236195 /nfs/dbraw/zinc/23/61/95/685236195.db2.gz FOYYYELWTLEJSP-SJORKVTESA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000303907781 685239991 /nfs/dbraw/zinc/23/99/91/685239991.db2.gz XAZBVXHMJLYFRF-IRXDYDNUSA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@H]1CNC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000303907781 685239998 /nfs/dbraw/zinc/23/99/98/685239998.db2.gz XAZBVXHMJLYFRF-IRXDYDNUSA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000104168569 684058536 /nfs/dbraw/zinc/05/85/36/684058536.db2.gz PBGLETPRGSQFPM-QGZVFWFLSA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000104168569 684058541 /nfs/dbraw/zinc/05/85/41/684058541.db2.gz PBGLETPRGSQFPM-QGZVFWFLSA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000303907779 685239633 /nfs/dbraw/zinc/23/96/33/685239633.db2.gz XAZBVXHMJLYFRF-IAGOWNOFSA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000303907779 685239638 /nfs/dbraw/zinc/23/96/38/685239638.db2.gz XAZBVXHMJLYFRF-IAGOWNOFSA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000104168571 684058596 /nfs/dbraw/zinc/05/85/96/684058596.db2.gz PBGLETPRGSQFPM-KRWDZBQOSA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000104168571 684058600 /nfs/dbraw/zinc/05/86/00/684058600.db2.gz PBGLETPRGSQFPM-KRWDZBQOSA-N 2 3 323.529 2.030 20 30 DEEDHP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CC2CCN(CC2)C1 ZINC001254853413 1143339233 /nfs/dbraw/zinc/33/92/33/1143339233.db2.gz OTJSSEYINAIUPU-SFHVURJKSA-N 2 3 300.450 2.138 20 30 DEEDHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000303907778 685239876 /nfs/dbraw/zinc/23/98/76/685239876.db2.gz XAZBVXHMJLYFRF-DLBZAZTESA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000303907778 685239882 /nfs/dbraw/zinc/23/98/82/685239882.db2.gz XAZBVXHMJLYFRF-DLBZAZTESA-N 2 3 323.529 2.030 20 30 DEEDHP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303870846 685236392 /nfs/dbraw/zinc/23/63/92/685236392.db2.gz FOYYYELWTLEJSP-IAGOWNOFSA-N 2 3 323.529 2.030 20 30 DEEDHP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303870846 685236397 /nfs/dbraw/zinc/23/63/97/685236397.db2.gz FOYYYELWTLEJSP-IAGOWNOFSA-N 2 3 323.529 2.030 20 30 DEEDHP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CC2CCN(CC2)C1 ZINC001254853412 1143338616 /nfs/dbraw/zinc/33/86/16/1143338616.db2.gz OTJSSEYINAIUPU-GOSISDBHSA-N 2 3 300.450 2.138 20 30 DEEDHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304739176 685258793 /nfs/dbraw/zinc/25/87/93/685258793.db2.gz BCPQTWVBWZPXMB-QGZVFWFLSA-N 2 3 323.529 2.031 20 30 DEEDHP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303870845 685236224 /nfs/dbraw/zinc/23/62/24/685236224.db2.gz FOYYYELWTLEJSP-DLBZAZTESA-N 2 3 323.529 2.030 20 30 DEEDHP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303870845 685236226 /nfs/dbraw/zinc/23/62/26/685236226.db2.gz FOYYYELWTLEJSP-DLBZAZTESA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000303907783 685240572 /nfs/dbraw/zinc/24/05/72/685240572.db2.gz XAZBVXHMJLYFRF-SJORKVTESA-N 2 3 323.529 2.030 20 30 DEEDHP CCN1CCC[C@H]1CNC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000303907783 685240579 /nfs/dbraw/zinc/24/05/79/685240579.db2.gz XAZBVXHMJLYFRF-SJORKVTESA-N 2 3 323.529 2.030 20 30 DEEDHP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303871010 685236698 /nfs/dbraw/zinc/23/66/98/685236698.db2.gz FOYYYELWTLEJSP-IRXDYDNUSA-N 2 3 323.529 2.030 20 30 DEEDHP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303871010 685236702 /nfs/dbraw/zinc/23/67/02/685236702.db2.gz FOYYYELWTLEJSP-IRXDYDNUSA-N 2 3 323.529 2.030 20 30 DEEDHP N#Cc1cccc(C[N@H+](C2CCNCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246441924 1140899329 /nfs/dbraw/zinc/89/93/29/1140899329.db2.gz LHHCEWFCKRSYEL-IYARVYRRSA-N 2 3 312.461 2.382 20 30 DEEDHP N#Cc1cccc(C[N@@H+](C2CCNCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246441924 1140899330 /nfs/dbraw/zinc/89/93/30/1140899330.db2.gz LHHCEWFCKRSYEL-IYARVYRRSA-N 2 3 312.461 2.382 20 30 DEEDHP N#Cc1ccc(C[N@H+](C2CCNCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246440939 1140899384 /nfs/dbraw/zinc/89/93/84/1140899384.db2.gz GPLUDDLGSBHXNM-IYARVYRRSA-N 2 3 312.461 2.382 20 30 DEEDHP N#Cc1ccc(C[N@@H+](C2CCNCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246440939 1140899385 /nfs/dbraw/zinc/89/93/85/1140899385.db2.gz GPLUDDLGSBHXNM-IYARVYRRSA-N 2 3 312.461 2.382 20 30 DEEDHP