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](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000430439303 1070810104 /nfs/dbraw/zinc/81/01/04/1070810104.db2.gz ZEFBITMYYGTRST-BDXSIMOUSA-N 2 1 414.547 -1.170 20 0 HAADMP C[C@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000430439303 1070810070 /nfs/dbraw/zinc/81/00/70/1070810070.db2.gz ZEFBITMYYGTRST-BDXSIMOUSA-N 2 1 414.547 -1.170 20 0 HAADMP C[C@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000430439306 1070810322 /nfs/dbraw/zinc/81/03/22/1070810322.db2.gz ZEFBITMYYGTRST-XSLAGTTESA-N 2 1 414.547 -1.170 20 0 HAADMP C[C@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000430439306 1070810289 /nfs/dbraw/zinc/81/02/89/1070810289.db2.gz ZEFBITMYYGTRST-XSLAGTTESA-N 2 1 414.547 -1.170 20 0 HAADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000439219035 1071037494 /nfs/dbraw/zinc/03/74/94/1071037494.db2.gz YEYIZWDEVFRXEF-HNNXBMFYSA-N 2 1 422.534 -0.821 20 0 HAADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000439219036 1071037337 /nfs/dbraw/zinc/03/73/37/1071037337.db2.gz YEYIZWDEVFRXEF-OAHLLOKOSA-N 2 1 422.534 -0.821 20 0 HAADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC000439226676 1071037872 /nfs/dbraw/zinc/03/78/72/1071037872.db2.gz WQNYAQYWKVJQEA-AWEZNQCLSA-N 2 1 408.507 -1.163 20 0 HAADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC000439226677 1071037947 /nfs/dbraw/zinc/03/79/47/1071037947.db2.gz WQNYAQYWKVJQEA-CQSZACIVSA-N 2 1 408.507 -1.163 20 0 HAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000446797252 1071169616 /nfs/dbraw/zinc/16/96/16/1071169616.db2.gz PWJXOYXGJKFFDH-HNNXBMFYSA-N 2 1 405.503 -0.852 20 0 HAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000446797253 1071169686 /nfs/dbraw/zinc/16/96/86/1071169686.db2.gz PWJXOYXGJKFFDH-OAHLLOKOSA-N 2 1 405.503 -0.852 20 0 HAADMP C[C@H](CO)[N@H+]1CCCN(C(=O)COCC(=O)N2CCC[NH+]([C@@H](C)CO)CC2)CC1 ZINC000470066102 1071942218 /nfs/dbraw/zinc/94/22/18/1071942218.db2.gz LAPFSACVPNEYFU-HDICACEKSA-N 2 1 414.547 -1.167 20 0 HAADMP C[C@H](CO)[N@@H+]1CCCN(C(=O)COCC(=O)N2CCC[NH+]([C@@H](C)CO)CC2)CC1 ZINC000470066102 1071942215 /nfs/dbraw/zinc/94/22/15/1071942215.db2.gz LAPFSACVPNEYFU-HDICACEKSA-N 2 1 414.547 -1.167 20 0 HAADMP C[C@H](CO)[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)CC1 ZINC000470066102 1071942210 /nfs/dbraw/zinc/94/22/10/1071942210.db2.gz LAPFSACVPNEYFU-HDICACEKSA-N 2 1 414.547 -1.167 20 0 HAADMP C[C@H](CO)[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@H+]([C@H](C)CO)CC2)CC1 ZINC000470066103 1071941997 /nfs/dbraw/zinc/94/19/97/1071941997.db2.gz LAPFSACVPNEYFU-QZTJIDSGSA-N 2 1 414.547 -1.167 20 0 HAADMP C[C@@H](CO)[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)CC1 ZINC000470066104 1071942129 /nfs/dbraw/zinc/94/21/29/1071942129.db2.gz LAPFSACVPNEYFU-ROUUACIJSA-N 2 1 414.547 -1.167 20 0 HAADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000477675074 1071258914 /nfs/dbraw/zinc/25/89/14/1071258914.db2.gz JHQRBJHQBXURSJ-KRWDZBQOSA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000477675964 1071259194 /nfs/dbraw/zinc/25/91/94/1071259194.db2.gz JHQRBJHQBXURSJ-QGZVFWFLSA-N 2 1 409.531 -1.022 20 0 HAADMP CN1CC[N@H+](C)C[C@H]1CN=c1cc(NC[C@H]2C[NH+](C)CCN2C)n2[nH]cnc2n1 ZINC000480009736 1071601912 /nfs/dbraw/zinc/60/19/12/1071601912.db2.gz COLHNZNKQLLTBP-CVEARBPZSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[N@@H+](C)C[C@H]1CN=c1cc(NC[C@H]2C[NH+](C)CCN2C)n2[nH]cnc2n1 ZINC000480009736 1071601909 /nfs/dbraw/zinc/60/19/09/1071601909.db2.gz COLHNZNKQLLTBP-CVEARBPZSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[NH+](C)C[C@H]1CN=c1cc(NC[C@H]2C[N@H+](C)CCN2C)n2[nH]cnc2n1 ZINC000480009736 1071601904 /nfs/dbraw/zinc/60/19/04/1071601904.db2.gz COLHNZNKQLLTBP-CVEARBPZSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[NH+](C)C[C@@H]1CNc1cc(=NC[C@H]2C[N@@H+](C)CCN2C)nc2nc[nH]n21 ZINC000480009740 1071601850 /nfs/dbraw/zinc/60/18/50/1071601850.db2.gz COLHNZNKQLLTBP-HOTGVXAUSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[NH+](C)C[C@@H]1CNc1cc(=NC[C@H]2C[N@H+](C)CCN2C)nc2nc[nH]n21 ZINC000480009740 1071601847 /nfs/dbraw/zinc/60/18/47/1071601847.db2.gz COLHNZNKQLLTBP-HOTGVXAUSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[NH+](C)C[C@@H]1CN=c1cc(NC[C@H]2C[N@H+](C)CCN2C)n2[nH]cnc2n1 ZINC000480009740 1071601836 /nfs/dbraw/zinc/60/18/36/1071601836.db2.gz COLHNZNKQLLTBP-HOTGVXAUSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[NH+](C)C[C@H]1CNc1cc(=NC[C@@H]2C[N@@H+](C)CCN2C)nc2nc[nH]n21 ZINC000480009744 1071601894 /nfs/dbraw/zinc/60/18/94/1071601894.db2.gz COLHNZNKQLLTBP-HZPDHXFCSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[NH+](C)C[C@H]1CNc1cc(=NC[C@@H]2C[N@H+](C)CCN2C)nc2nc[nH]n21 ZINC000480009744 1071601887 /nfs/dbraw/zinc/60/18/87/1071601887.db2.gz COLHNZNKQLLTBP-HZPDHXFCSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[NH+](C)C[C@H]1CN=c1cc(NC[C@@H]2C[N@H+](C)CCN2C)n2[nH]cnc2n1 ZINC000480009744 1071601883 /nfs/dbraw/zinc/60/18/83/1071601883.db2.gz COLHNZNKQLLTBP-HZPDHXFCSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[NH+](C)C[C@H]1CNc1cc(=NC[C@H]2C[N@@H+](C)CCN2C)nc2nc[nH]n21 ZINC000480009748 1071601618 /nfs/dbraw/zinc/60/16/18/1071601618.db2.gz COLHNZNKQLLTBP-JKSUJKDBSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[NH+](C)C[C@H]1CNc1cc(=NC[C@H]2C[N@H+](C)CCN2C)nc2nc[nH]n21 ZINC000480009748 1071601613 /nfs/dbraw/zinc/60/16/13/1071601613.db2.gz COLHNZNKQLLTBP-JKSUJKDBSA-N 2 1 402.551 -1.138 20 0 HAADMP CN1CC[N@@H+](C)C[C@H]1CNc1cc(=NC[C@H]2C[NH+](C)CCN2C)nc2nc[nH]n21 ZINC000480009748 1071601606 /nfs/dbraw/zinc/60/16/06/1071601606.db2.gz COLHNZNKQLLTBP-JKSUJKDBSA-N 2 1 402.551 -1.138 20 0 HAADMP C[C@@]1(C(N)=O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@](C)(C(N)=O)C3)CC2)C1 ZINC000483287788 1071335785 /nfs/dbraw/zinc/33/57/85/1071335785.db2.gz YMRNMHGLOLEBDF-BGYRXZFFSA-N 2 1 422.530 -1.948 20 0 HAADMP C[C@@]1(C(N)=O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@](C)(C(N)=O)C3)CC2)C1 ZINC000483287788 1071335771 /nfs/dbraw/zinc/33/57/71/1071335771.db2.gz YMRNMHGLOLEBDF-BGYRXZFFSA-N 2 1 422.530 -1.948 20 0 HAADMP C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@](C)(C(N)=O)C3)CC2)C1 ZINC000483287788 1071335764 /nfs/dbraw/zinc/33/57/64/1071335764.db2.gz YMRNMHGLOLEBDF-BGYRXZFFSA-N 2 1 422.530 -1.948 20 0 HAADMP C[C@]1(C(N)=O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@](C)(C(N)=O)C3)CC2)C1 ZINC000483287796 1071335859 /nfs/dbraw/zinc/33/58/59/1071335859.db2.gz YMRNMHGLOLEBDF-PMACEKPBSA-N 2 1 422.530 -1.948 20 0 HAADMP C[C@@]1(C(N)=O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@](C)(C(N)=O)C3)CC2)C1 ZINC000483287798 1071335906 /nfs/dbraw/zinc/33/59/06/1071335906.db2.gz YMRNMHGLOLEBDF-WOJBJXKFSA-N 2 1 422.530 -1.948 20 0 HAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cn1 ZINC000490457584 1071369508 /nfs/dbraw/zinc/36/95/08/1071369508.db2.gz JNXWUWPVVCMFSZ-UHFFFAOYSA-N 2 1 411.532 -1.336 20 0 HAADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000492811851 1071643026 /nfs/dbraw/zinc/64/30/26/1071643026.db2.gz XKQFNFWVXPBHNP-UHFFFAOYSA-N 2 1 424.590 -1.441 20 0 HAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496368828 1071494339 /nfs/dbraw/zinc/49/43/39/1071494339.db2.gz ZSWWWCJXPOMGCX-KRWDZBQOSA-N 2 1 422.574 -1.106 20 0 HAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496368828 1071494332 /nfs/dbraw/zinc/49/43/32/1071494332.db2.gz ZSWWWCJXPOMGCX-KRWDZBQOSA-N 2 1 422.574 -1.106 20 0 HAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000496368828 1071494325 /nfs/dbraw/zinc/49/43/25/1071494325.db2.gz ZSWWWCJXPOMGCX-KRWDZBQOSA-N 2 1 422.574 -1.106 20 0 HAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496368830 1071494237 /nfs/dbraw/zinc/49/42/37/1071494237.db2.gz ZSWWWCJXPOMGCX-QGZVFWFLSA-N 2 1 422.574 -1.106 20 0 HAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496368830 1071494233 /nfs/dbraw/zinc/49/42/33/1071494233.db2.gz ZSWWWCJXPOMGCX-QGZVFWFLSA-N 2 1 422.574 -1.106 20 0 HAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000496368830 1071494225 /nfs/dbraw/zinc/49/42/25/1071494225.db2.gz ZSWWWCJXPOMGCX-QGZVFWFLSA-N 2 1 422.574 -1.106 20 0 HAADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1(C)C ZINC000496394086 1071495713 /nfs/dbraw/zinc/49/57/13/1071495713.db2.gz LLKJLDCMKILFSM-UHFFFAOYSA-N 2 1 422.574 -1.105 20 0 HAADMP CO[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000514411072 1071005482 /nfs/dbraw/zinc/00/54/82/1071005482.db2.gz BDPHCXLEBCEPAC-NNZMDNLPSA-N 2 1 408.547 -1.986 20 0 HAADMP CO[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000514411072 1071005466 /nfs/dbraw/zinc/00/54/66/1071005466.db2.gz BDPHCXLEBCEPAC-NNZMDNLPSA-N 2 1 408.547 -1.986 20 0 HAADMP CO[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000514411072 1071005449 /nfs/dbraw/zinc/00/54/49/1071005449.db2.gz BDPHCXLEBCEPAC-NNZMDNLPSA-N 2 1 408.547 -1.986 20 0 HAADMP COC(CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000514411080 1071005411 /nfs/dbraw/zinc/00/54/11/1071005411.db2.gz BDPHCXLEBCEPAC-QZTJIDSGSA-N 2 1 408.547 -1.986 20 0 HAADMP COC(CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000514411081 1071005868 /nfs/dbraw/zinc/00/58/68/1071005868.db2.gz BDPHCXLEBCEPAC-ROUUACIJSA-N 2 1 408.547 -1.986 20 0 HAADMP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000515881424 1071016777 /nfs/dbraw/zinc/01/67/77/1071016777.db2.gz SDRYYWKHFCULTI-KRWDZBQOSA-N 2 1 405.499 -1.020 20 0 HAADMP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000515881425 1071016737 /nfs/dbraw/zinc/01/67/37/1071016737.db2.gz SDRYYWKHFCULTI-QGZVFWFLSA-N 2 1 405.499 -1.020 20 0 HAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000517342647 1071026345 /nfs/dbraw/zinc/02/63/45/1071026345.db2.gz KALNPVQIYSXRJV-GOSISDBHSA-N 2 1 422.574 -1.059 20 0 HAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000517342647 1071026338 /nfs/dbraw/zinc/02/63/38/1071026338.db2.gz KALNPVQIYSXRJV-GOSISDBHSA-N 2 1 422.574 -1.059 20 0 HAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000517342648 1071026317 /nfs/dbraw/zinc/02/63/17/1071026317.db2.gz KALNPVQIYSXRJV-SFHVURJKSA-N 2 1 422.574 -1.059 20 0 HAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000517342648 1071026308 /nfs/dbraw/zinc/02/63/08/1071026308.db2.gz KALNPVQIYSXRJV-SFHVURJKSA-N 2 1 422.574 -1.059 20 0 HAADMP COC[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000527117417 1071185848 /nfs/dbraw/zinc/18/58/48/1071185848.db2.gz JHFCLWWVWATVLK-BZSNNMDCSA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000527117417 1071185845 /nfs/dbraw/zinc/18/58/45/1071185845.db2.gz JHFCLWWVWATVLK-BZSNNMDCSA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000527117417 1071185842 /nfs/dbraw/zinc/18/58/42/1071185842.db2.gz JHFCLWWVWATVLK-BZSNNMDCSA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000527117418 1071185562 /nfs/dbraw/zinc/18/55/62/1071185562.db2.gz JHFCLWWVWATVLK-KSZLIROESA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000527117418 1071185556 /nfs/dbraw/zinc/18/55/56/1071185556.db2.gz JHFCLWWVWATVLK-KSZLIROESA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000527117418 1071185551 /nfs/dbraw/zinc/18/55/51/1071185551.db2.gz JHFCLWWVWATVLK-KSZLIROESA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000527117419 1071185787 /nfs/dbraw/zinc/18/57/87/1071185787.db2.gz JHFCLWWVWATVLK-OKZBNKHCSA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000527117419 1071185779 /nfs/dbraw/zinc/18/57/79/1071185779.db2.gz JHFCLWWVWATVLK-OKZBNKHCSA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000527117419 1071185775 /nfs/dbraw/zinc/18/57/75/1071185775.db2.gz JHFCLWWVWATVLK-OKZBNKHCSA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000527117420 1071185824 /nfs/dbraw/zinc/18/58/24/1071185824.db2.gz JHFCLWWVWATVLK-RCCFBDPRSA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000527117420 1071185821 /nfs/dbraw/zinc/18/58/21/1071185821.db2.gz JHFCLWWVWATVLK-RCCFBDPRSA-N 2 1 408.547 -1.986 20 0 HAADMP COC[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000527117420 1071185818 /nfs/dbraw/zinc/18/58/18/1071185818.db2.gz JHFCLWWVWATVLK-RCCFBDPRSA-N 2 1 408.547 -1.986 20 0 HAADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C(=O)OC)C3)CC2)C1 ZINC000532939099 1071219835 /nfs/dbraw/zinc/21/98/35/1071219835.db2.gz GDVNOJCRBAVFJE-HOTGVXAUSA-N 2 1 424.498 -1.353 20 0 HAADMP COC(=O)[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](C(=O)OC)C3)CC2)C1 ZINC000532939100 1071219954 /nfs/dbraw/zinc/21/99/54/1071219954.db2.gz GDVNOJCRBAVFJE-HZPDHXFCSA-N 2 1 424.498 -1.353 20 0 HAADMP COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C(=O)OC)C3)CC2)C1 ZINC000532939101 1071220011 /nfs/dbraw/zinc/22/00/11/1071220011.db2.gz GDVNOJCRBAVFJE-IYBDPMFKSA-N 2 1 424.498 -1.353 20 0 HAADMP COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C(=O)OC)C3)CC2)C1 ZINC000532939101 1071220004 /nfs/dbraw/zinc/22/00/04/1071220004.db2.gz GDVNOJCRBAVFJE-IYBDPMFKSA-N 2 1 424.498 -1.353 20 0 HAADMP COC(=O)[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C(=O)OC)C3)CC2)C1 ZINC000532939101 1071219999 /nfs/dbraw/zinc/21/99/99/1071219999.db2.gz GDVNOJCRBAVFJE-IYBDPMFKSA-N 2 1 424.498 -1.353 20 0 HAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000534278017 1071426162 /nfs/dbraw/zinc/42/61/62/1071426162.db2.gz NKOFFNGLHCMZKI-CEXWTWQISA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000534278017 1071426153 /nfs/dbraw/zinc/42/61/53/1071426153.db2.gz NKOFFNGLHCMZKI-CEXWTWQISA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534278017 1071426149 /nfs/dbraw/zinc/42/61/49/1071426149.db2.gz NKOFFNGLHCMZKI-CEXWTWQISA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000534278021 1071426299 /nfs/dbraw/zinc/42/62/99/1071426299.db2.gz NKOFFNGLHCMZKI-GUDVDZBRSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000534278021 1071426293 /nfs/dbraw/zinc/42/62/93/1071426293.db2.gz NKOFFNGLHCMZKI-GUDVDZBRSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534278021 1071426288 /nfs/dbraw/zinc/42/62/88/1071426288.db2.gz NKOFFNGLHCMZKI-GUDVDZBRSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000534278022 1071426186 /nfs/dbraw/zinc/42/61/86/1071426186.db2.gz NKOFFNGLHCMZKI-QRVBRYPASA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000534278022 1071426185 /nfs/dbraw/zinc/42/61/85/1071426185.db2.gz NKOFFNGLHCMZKI-QRVBRYPASA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534278022 1071426178 /nfs/dbraw/zinc/42/61/78/1071426178.db2.gz NKOFFNGLHCMZKI-QRVBRYPASA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000534278023 1071426425 /nfs/dbraw/zinc/42/64/25/1071426425.db2.gz NKOFFNGLHCMZKI-QYZOEREBSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000534278023 1071426421 /nfs/dbraw/zinc/42/64/21/1071426421.db2.gz NKOFFNGLHCMZKI-QYZOEREBSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534278023 1071426415 /nfs/dbraw/zinc/42/64/15/1071426415.db2.gz NKOFFNGLHCMZKI-QYZOEREBSA-N 2 1 404.559 -1.175 20 0 HAADMP O=C(NC[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000536537819 1071206595 /nfs/dbraw/zinc/20/65/95/1071206595.db2.gz MLPFHDFOYNKFDU-FHWLQOOXSA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(NC[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000536537819 1071206588 /nfs/dbraw/zinc/20/65/88/1071206588.db2.gz MLPFHDFOYNKFDU-FHWLQOOXSA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(NC[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000536537819 1071206585 /nfs/dbraw/zinc/20/65/85/1071206585.db2.gz MLPFHDFOYNKFDU-FHWLQOOXSA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(N[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000536537820 1071206279 /nfs/dbraw/zinc/20/62/79/1071206279.db2.gz MLPFHDFOYNKFDU-GBESFXJTSA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(N[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000536537820 1071206270 /nfs/dbraw/zinc/20/62/70/1071206270.db2.gz MLPFHDFOYNKFDU-GBESFXJTSA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(N[C@@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000536537820 1071206257 /nfs/dbraw/zinc/20/62/57/1071206257.db2.gz MLPFHDFOYNKFDU-GBESFXJTSA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(NC[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)C1CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000536537821 1071206639 /nfs/dbraw/zinc/20/66/39/1071206639.db2.gz MLPFHDFOYNKFDU-IPMKNSEASA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(NC[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)C1CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536537821 1071206632 /nfs/dbraw/zinc/20/66/32/1071206632.db2.gz MLPFHDFOYNKFDU-IPMKNSEASA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(NC[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C1CC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000536537821 1071206625 /nfs/dbraw/zinc/20/66/25/1071206625.db2.gz MLPFHDFOYNKFDU-IPMKNSEASA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(NC[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000536537822 1071206997 /nfs/dbraw/zinc/20/69/97/1071206997.db2.gz MLPFHDFOYNKFDU-OTWHNJEPSA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(NC[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536537822 1071206987 /nfs/dbraw/zinc/20/69/87/1071206987.db2.gz MLPFHDFOYNKFDU-OTWHNJEPSA-N 2 1 404.559 -1.223 20 0 HAADMP O=C(NC[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000536537822 1071206978 /nfs/dbraw/zinc/20/69/78/1071206978.db2.gz MLPFHDFOYNKFDU-OTWHNJEPSA-N 2 1 404.559 -1.223 20 0 HAADMP C[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000536544273 1071207301 /nfs/dbraw/zinc/20/73/01/1071207301.db2.gz NKOFFNGLHCMZKI-FHWLQOOXSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000536544273 1071207296 /nfs/dbraw/zinc/20/72/96/1071207296.db2.gz NKOFFNGLHCMZKI-FHWLQOOXSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000536544273 1071207289 /nfs/dbraw/zinc/20/72/89/1071207289.db2.gz NKOFFNGLHCMZKI-FHWLQOOXSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000536544274 1071207133 /nfs/dbraw/zinc/20/71/33/1071207133.db2.gz NKOFFNGLHCMZKI-GBESFXJTSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000536544274 1071207125 /nfs/dbraw/zinc/20/71/25/1071207125.db2.gz NKOFFNGLHCMZKI-GBESFXJTSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000536544274 1071207113 /nfs/dbraw/zinc/20/71/13/1071207113.db2.gz NKOFFNGLHCMZKI-GBESFXJTSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000536544275 1071207459 /nfs/dbraw/zinc/20/74/59/1071207459.db2.gz NKOFFNGLHCMZKI-IPMKNSEASA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000536544275 1071207452 /nfs/dbraw/zinc/20/74/52/1071207452.db2.gz NKOFFNGLHCMZKI-IPMKNSEASA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000536544275 1071207444 /nfs/dbraw/zinc/20/74/44/1071207444.db2.gz NKOFFNGLHCMZKI-IPMKNSEASA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000536544276 1071207271 /nfs/dbraw/zinc/20/72/71/1071207271.db2.gz NKOFFNGLHCMZKI-OTWHNJEPSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000536544276 1071207263 /nfs/dbraw/zinc/20/72/63/1071207263.db2.gz NKOFFNGLHCMZKI-OTWHNJEPSA-N 2 1 404.559 -1.175 20 0 HAADMP C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000536544276 1071207249 /nfs/dbraw/zinc/20/72/49/1071207249.db2.gz NKOFFNGLHCMZKI-OTWHNJEPSA-N 2 1 404.559 -1.175 20 0 HAADMP Cn1c2ncn(CC[NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000538096903 1071262642 /nfs/dbraw/zinc/26/26/42/1071262642.db2.gz ZZGMCUFFGLEYNF-UHFFFAOYSA-N 2 1 406.487 -1.407 20 0 HAADMP CCO[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000541162367 1071452050 /nfs/dbraw/zinc/45/20/50/1071452050.db2.gz RIBNFRWTXXVGHY-LDLYASANSA-N 2 1 422.574 -1.596 20 0 HAADMP CCO[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000541162367 1071452044 /nfs/dbraw/zinc/45/20/44/1071452044.db2.gz RIBNFRWTXXVGHY-LDLYASANSA-N 2 1 422.574 -1.596 20 0 HAADMP CCO[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000541162367 1071452037 /nfs/dbraw/zinc/45/20/37/1071452037.db2.gz RIBNFRWTXXVGHY-LDLYASANSA-N 2 1 422.574 -1.596 20 0 HAADMP CCOC(CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000541162368 1071452108 /nfs/dbraw/zinc/45/21/08/1071452108.db2.gz RIBNFRWTXXVGHY-OALUTQOASA-N 2 1 422.574 -1.596 20 0 HAADMP CCOC(CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000541162369 1071451961 /nfs/dbraw/zinc/45/19/61/1071451961.db2.gz RIBNFRWTXXVGHY-RTBURBONSA-N 2 1 422.574 -1.596 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000550669254 1071233179 /nfs/dbraw/zinc/23/31/79/1071233179.db2.gz NBSAQZTXCVMSIX-UHFFFAOYSA-N 2 1 409.531 -1.163 20 0 HAADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000550671666 1071232484 /nfs/dbraw/zinc/23/24/84/1071232484.db2.gz KTPRJQKVBWSWQF-UHFFFAOYSA-N 2 1 422.574 -1.247 20 0 HAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000550945993 1071241785 /nfs/dbraw/zinc/24/17/85/1071241785.db2.gz BHPBKWCJZPBFBL-UHFFFAOYSA-N 2 1 422.574 -1.105 20 0 HAADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000551032530 1071243096 /nfs/dbraw/zinc/24/30/96/1071243096.db2.gz VJRKYPRMIIQUTG-GOSISDBHSA-N 2 1 422.574 -1.106 20 0 HAADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000551032538 1071243128 /nfs/dbraw/zinc/24/31/28/1071243128.db2.gz VJRKYPRMIIQUTG-SFHVURJKSA-N 2 1 422.574 -1.106 20 0 HAADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000551058503 1071243738 /nfs/dbraw/zinc/24/37/38/1071243738.db2.gz PHUFAPTUUDKIBF-KRWDZBQOSA-N 2 1 408.547 -1.495 20 0 HAADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000551058504 1071244068 /nfs/dbraw/zinc/24/40/68/1071244068.db2.gz PHUFAPTUUDKIBF-QGZVFWFLSA-N 2 1 408.547 -1.495 20 0 HAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000551165333 1071247143 /nfs/dbraw/zinc/24/71/43/1071247143.db2.gz RFIAFOXTTYDRHI-KRWDZBQOSA-N 2 1 409.531 -1.020 20 0 HAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000551165335 1071247332 /nfs/dbraw/zinc/24/73/32/1071247332.db2.gz RFIAFOXTTYDRHI-QGZVFWFLSA-N 2 1 409.531 -1.020 20 0 HAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000552540065 1071278332 /nfs/dbraw/zinc/27/83/32/1071278332.db2.gz LEXAJDMEABOTPM-KRWDZBQOSA-N 2 1 409.531 -1.163 20 0 HAADMP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000552540066 1071278462 /nfs/dbraw/zinc/27/84/62/1071278462.db2.gz LEXAJDMEABOTPM-QGZVFWFLSA-N 2 1 409.531 -1.163 20 0 HAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000552896424 1071284759 /nfs/dbraw/zinc/28/47/59/1071284759.db2.gz AMABFWNQPRIKHP-CVEARBPZSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000552896424 1071284754 /nfs/dbraw/zinc/28/47/54/1071284754.db2.gz AMABFWNQPRIKHP-CVEARBPZSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1CC(C)(C)O ZINC000552896424 1071284748 /nfs/dbraw/zinc/28/47/48/1071284748.db2.gz AMABFWNQPRIKHP-CVEARBPZSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000552896424 1071284743 /nfs/dbraw/zinc/28/47/43/1071284743.db2.gz AMABFWNQPRIKHP-CVEARBPZSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000552896425 1071284572 /nfs/dbraw/zinc/28/45/72/1071284572.db2.gz AMABFWNQPRIKHP-HOTGVXAUSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000552896425 1071284562 /nfs/dbraw/zinc/28/45/62/1071284562.db2.gz AMABFWNQPRIKHP-HOTGVXAUSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1CC(C)(C)O ZINC000552896425 1071284551 /nfs/dbraw/zinc/28/45/51/1071284551.db2.gz AMABFWNQPRIKHP-HOTGVXAUSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000552896425 1071284539 /nfs/dbraw/zinc/28/45/39/1071284539.db2.gz AMABFWNQPRIKHP-HOTGVXAUSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000552896426 1071284645 /nfs/dbraw/zinc/28/46/45/1071284645.db2.gz AMABFWNQPRIKHP-HZPDHXFCSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000552896426 1071284637 /nfs/dbraw/zinc/28/46/37/1071284637.db2.gz AMABFWNQPRIKHP-HZPDHXFCSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1CC(C)(C)O ZINC000552896426 1071284631 /nfs/dbraw/zinc/28/46/31/1071284631.db2.gz AMABFWNQPRIKHP-HZPDHXFCSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000552896426 1071284622 /nfs/dbraw/zinc/28/46/22/1071284622.db2.gz AMABFWNQPRIKHP-HZPDHXFCSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000552896427 1071284463 /nfs/dbraw/zinc/28/44/63/1071284463.db2.gz AMABFWNQPRIKHP-JKSUJKDBSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000552896427 1071284456 /nfs/dbraw/zinc/28/44/56/1071284456.db2.gz AMABFWNQPRIKHP-JKSUJKDBSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1CC(C)(C)O ZINC000552896427 1071284446 /nfs/dbraw/zinc/28/44/46/1071284446.db2.gz AMABFWNQPRIKHP-JKSUJKDBSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000552896427 1071284431 /nfs/dbraw/zinc/28/44/31/1071284431.db2.gz AMABFWNQPRIKHP-JKSUJKDBSA-N 2 1 411.547 -1.006 20 0 HAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000553150337 1071290705 /nfs/dbraw/zinc/29/07/05/1071290705.db2.gz RHCCEIQWPCYUPV-INIZCTEOSA-N 2 1 411.547 -1.040 20 0 HAADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000553150337 1071290698 /nfs/dbraw/zinc/29/06/98/1071290698.db2.gz RHCCEIQWPCYUPV-INIZCTEOSA-N 2 1 411.547 -1.040 20 0 HAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000553150338 1071290768 /nfs/dbraw/zinc/29/07/68/1071290768.db2.gz RHCCEIQWPCYUPV-MRXNPFEDSA-N 2 1 411.547 -1.040 20 0 HAADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000553150338 1071290761 /nfs/dbraw/zinc/29/07/61/1071290761.db2.gz RHCCEIQWPCYUPV-MRXNPFEDSA-N 2 1 411.547 -1.040 20 0 HAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000553276576 1071292791 /nfs/dbraw/zinc/29/27/91/1071292791.db2.gz HQLOOUNBWLGJNT-KRWDZBQOSA-N 2 1 409.531 -1.020 20 0 HAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000553276577 1071292820 /nfs/dbraw/zinc/29/28/20/1071292820.db2.gz HQLOOUNBWLGJNT-QGZVFWFLSA-N 2 1 409.531 -1.020 20 0 HAADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000554106090 1071305934 /nfs/dbraw/zinc/30/59/34/1071305934.db2.gz GSMOGPVHMANPOB-UHFFFAOYSA-N 2 1 411.547 -1.040 20 0 HAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000555993973 1071328804 /nfs/dbraw/zinc/32/88/04/1071328804.db2.gz LNBVYCNNVJPQFD-GOSISDBHSA-N 2 1 422.574 -1.106 20 0 HAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000555993973 1071328785 /nfs/dbraw/zinc/32/87/85/1071328785.db2.gz LNBVYCNNVJPQFD-GOSISDBHSA-N 2 1 422.574 -1.106 20 0 HAADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000555993973 1071328767 /nfs/dbraw/zinc/32/87/67/1071328767.db2.gz LNBVYCNNVJPQFD-GOSISDBHSA-N 2 1 422.574 -1.106 20 0 HAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000555993974 1071328718 /nfs/dbraw/zinc/32/87/18/1071328718.db2.gz LNBVYCNNVJPQFD-SFHVURJKSA-N 2 1 422.574 -1.106 20 0 HAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000555993974 1071328702 /nfs/dbraw/zinc/32/87/02/1071328702.db2.gz LNBVYCNNVJPQFD-SFHVURJKSA-N 2 1 422.574 -1.106 20 0 HAADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000555993974 1071328685 /nfs/dbraw/zinc/32/86/85/1071328685.db2.gz LNBVYCNNVJPQFD-SFHVURJKSA-N 2 1 422.574 -1.106 20 0 HAADMP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556354751 1071515467 /nfs/dbraw/zinc/51/54/67/1071515467.db2.gz HYYDOYWXOQIHQQ-MSOLQXFVSA-N 2 1 422.574 -1.249 20 0 HAADMP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556354753 1071515559 /nfs/dbraw/zinc/51/55/59/1071515559.db2.gz HYYDOYWXOQIHQQ-QZTJIDSGSA-N 2 1 422.574 -1.249 20 0 HAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556354755 1071515782 /nfs/dbraw/zinc/51/57/82/1071515782.db2.gz HYYDOYWXOQIHQQ-ROUUACIJSA-N 2 1 422.574 -1.249 20 0 HAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556354757 1071515604 /nfs/dbraw/zinc/51/56/04/1071515604.db2.gz HYYDOYWXOQIHQQ-ZWKOTPCHSA-N 2 1 422.574 -1.249 20 0 HAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000557252325 1071951195 /nfs/dbraw/zinc/95/11/95/1071951195.db2.gz XIQQLTANJJBAON-DLBZAZTESA-N 2 1 409.531 -1.164 20 0 HAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000557252325 1071951187 /nfs/dbraw/zinc/95/11/87/1071951187.db2.gz XIQQLTANJJBAON-DLBZAZTESA-N 2 1 409.531 -1.164 20 0 HAADMP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000557252326 1071951402 /nfs/dbraw/zinc/95/14/02/1071951402.db2.gz XIQQLTANJJBAON-IAGOWNOFSA-N 2 1 409.531 -1.164 20 0 HAADMP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000557252326 1071951393 /nfs/dbraw/zinc/95/13/93/1071951393.db2.gz XIQQLTANJJBAON-IAGOWNOFSA-N 2 1 409.531 -1.164 20 0 HAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000557252327 1071951513 /nfs/dbraw/zinc/95/15/13/1071951513.db2.gz XIQQLTANJJBAON-IRXDYDNUSA-N 2 1 409.531 -1.164 20 0 HAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000557252327 1071951508 /nfs/dbraw/zinc/95/15/08/1071951508.db2.gz XIQQLTANJJBAON-IRXDYDNUSA-N 2 1 409.531 -1.164 20 0 HAADMP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000557252328 1071951566 /nfs/dbraw/zinc/95/15/66/1071951566.db2.gz XIQQLTANJJBAON-SJORKVTESA-N 2 1 409.531 -1.164 20 0 HAADMP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000557252328 1071951563 /nfs/dbraw/zinc/95/15/63/1071951563.db2.gz XIQQLTANJJBAON-SJORKVTESA-N 2 1 409.531 -1.164 20 0 HAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557253159 1071951493 /nfs/dbraw/zinc/95/14/93/1071951493.db2.gz FSDNMKRUHDECRW-INIZCTEOSA-N 2 1 424.546 -1.688 20 0 HAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557253159 1071951488 /nfs/dbraw/zinc/95/14/88/1071951488.db2.gz FSDNMKRUHDECRW-INIZCTEOSA-N 2 1 424.546 -1.688 20 0 HAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557253166 1071951660 /nfs/dbraw/zinc/95/16/60/1071951660.db2.gz FSDNMKRUHDECRW-MRXNPFEDSA-N 2 1 424.546 -1.688 20 0 HAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557253166 1071951653 /nfs/dbraw/zinc/95/16/53/1071951653.db2.gz FSDNMKRUHDECRW-MRXNPFEDSA-N 2 1 424.546 -1.688 20 0 HAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000557254924 1071951545 /nfs/dbraw/zinc/95/15/45/1071951545.db2.gz INKGYFLBGNVDEF-DLBZAZTESA-N 2 1 409.531 -1.129 20 0 HAADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000557254924 1071951544 /nfs/dbraw/zinc/95/15/44/1071951544.db2.gz INKGYFLBGNVDEF-DLBZAZTESA-N 2 1 409.531 -1.129 20 0 HAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000557254937 1071951618 /nfs/dbraw/zinc/95/16/18/1071951618.db2.gz INKGYFLBGNVDEF-IAGOWNOFSA-N 2 1 409.531 -1.129 20 0 HAADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000557254937 1071951615 /nfs/dbraw/zinc/95/16/15/1071951615.db2.gz INKGYFLBGNVDEF-IAGOWNOFSA-N 2 1 409.531 -1.129 20 0 HAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000557254939 1071951603 /nfs/dbraw/zinc/95/16/03/1071951603.db2.gz INKGYFLBGNVDEF-IRXDYDNUSA-N 2 1 409.531 -1.129 20 0 HAADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000557254939 1071951598 /nfs/dbraw/zinc/95/15/98/1071951598.db2.gz INKGYFLBGNVDEF-IRXDYDNUSA-N 2 1 409.531 -1.129 20 0 HAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000557254941 1071951311 /nfs/dbraw/zinc/95/13/11/1071951311.db2.gz INKGYFLBGNVDEF-SJORKVTESA-N 2 1 409.531 -1.129 20 0 HAADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000557254941 1071951299 /nfs/dbraw/zinc/95/12/99/1071951299.db2.gz INKGYFLBGNVDEF-SJORKVTESA-N 2 1 409.531 -1.129 20 0 HAADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255636 1071951373 /nfs/dbraw/zinc/95/13/73/1071951373.db2.gz PTYLWWPUELRLMK-INIZCTEOSA-N 2 1 411.547 -1.005 20 0 HAADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255636 1071951364 /nfs/dbraw/zinc/95/13/64/1071951364.db2.gz PTYLWWPUELRLMK-INIZCTEOSA-N 2 1 411.547 -1.005 20 0 HAADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255636 1071951352 /nfs/dbraw/zinc/95/13/52/1071951352.db2.gz PTYLWWPUELRLMK-INIZCTEOSA-N 2 1 411.547 -1.005 20 0 HAADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557255641 1071951465 /nfs/dbraw/zinc/95/14/65/1071951465.db2.gz PTYLWWPUELRLMK-MRXNPFEDSA-N 2 1 411.547 -1.005 20 0 HAADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557255641 1071951460 /nfs/dbraw/zinc/95/14/60/1071951460.db2.gz PTYLWWPUELRLMK-MRXNPFEDSA-N 2 1 411.547 -1.005 20 0 HAADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557255641 1071951453 /nfs/dbraw/zinc/95/14/53/1071951453.db2.gz PTYLWWPUELRLMK-MRXNPFEDSA-N 2 1 411.547 -1.005 20 0 HAADMP C[NH+]1CCN(CCNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000557255671 1071952280 /nfs/dbraw/zinc/95/22/80/1071952280.db2.gz QKMATBYSQXJQIB-INIZCTEOSA-N 2 1 410.563 -1.168 20 0 HAADMP C[NH+]1CCN(CCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000557255671 1071952265 /nfs/dbraw/zinc/95/22/65/1071952265.db2.gz QKMATBYSQXJQIB-INIZCTEOSA-N 2 1 410.563 -1.168 20 0 HAADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000557255671 1071952258 /nfs/dbraw/zinc/95/22/58/1071952258.db2.gz QKMATBYSQXJQIB-INIZCTEOSA-N 2 1 410.563 -1.168 20 0 HAADMP C[NH+]1CCN(CCNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000557255679 1071952066 /nfs/dbraw/zinc/95/20/66/1071952066.db2.gz QKMATBYSQXJQIB-MRXNPFEDSA-N 2 1 410.563 -1.168 20 0 HAADMP C[NH+]1CCN(CCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000557255679 1071952060 /nfs/dbraw/zinc/95/20/60/1071952060.db2.gz QKMATBYSQXJQIB-MRXNPFEDSA-N 2 1 410.563 -1.168 20 0 HAADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000557255679 1071952055 /nfs/dbraw/zinc/95/20/55/1071952055.db2.gz QKMATBYSQXJQIB-MRXNPFEDSA-N 2 1 410.563 -1.168 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000557333060 1071953300 /nfs/dbraw/zinc/95/33/00/1071953300.db2.gz XCYHQOOCIVKFAW-GOSISDBHSA-N 2 1 422.574 -1.105 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000557333060 1071953295 /nfs/dbraw/zinc/95/32/95/1071953295.db2.gz XCYHQOOCIVKFAW-GOSISDBHSA-N 2 1 422.574 -1.105 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000557333061 1071953513 /nfs/dbraw/zinc/95/35/13/1071953513.db2.gz XCYHQOOCIVKFAW-SFHVURJKSA-N 2 1 422.574 -1.105 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000557333061 1071953509 /nfs/dbraw/zinc/95/35/09/1071953509.db2.gz XCYHQOOCIVKFAW-SFHVURJKSA-N 2 1 422.574 -1.105 20 0 HAADMP CCN(C(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000558716165 1071963666 /nfs/dbraw/zinc/96/36/66/1071963666.db2.gz HUJJAPJIZTVEAI-MOPGFXCFSA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000558716165 1071963663 /nfs/dbraw/zinc/96/36/63/1071963663.db2.gz HUJJAPJIZTVEAI-MOPGFXCFSA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000558716165 1071963660 /nfs/dbraw/zinc/96/36/60/1071963660.db2.gz HUJJAPJIZTVEAI-MOPGFXCFSA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000558716166 1071963497 /nfs/dbraw/zinc/96/34/97/1071963497.db2.gz HUJJAPJIZTVEAI-OALUTQOASA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000558716166 1071963488 /nfs/dbraw/zinc/96/34/88/1071963488.db2.gz HUJJAPJIZTVEAI-OALUTQOASA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000558716166 1071963478 /nfs/dbraw/zinc/96/34/78/1071963478.db2.gz HUJJAPJIZTVEAI-OALUTQOASA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@H]1C[N@H+]2CCN1CCC2)C1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000558716167 1071963627 /nfs/dbraw/zinc/96/36/27/1071963627.db2.gz HUJJAPJIZTVEAI-RBUKOAKNSA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000558716167 1071963623 /nfs/dbraw/zinc/96/36/23/1071963623.db2.gz HUJJAPJIZTVEAI-RBUKOAKNSA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@H]1C[NH+]2CCN1CCC2)C1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000558716167 1071963619 /nfs/dbraw/zinc/96/36/19/1071963619.db2.gz HUJJAPJIZTVEAI-RBUKOAKNSA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@H]1C[N@H+]2CCN1CCC2)C1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000558716168 1071963707 /nfs/dbraw/zinc/96/37/07/1071963707.db2.gz HUJJAPJIZTVEAI-RTBURBONSA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000558716168 1071963702 /nfs/dbraw/zinc/96/37/02/1071963702.db2.gz HUJJAPJIZTVEAI-RTBURBONSA-N 2 1 404.559 -1.175 20 0 HAADMP CCN(C(=O)[C@H]1C[NH+]2CCN1CCC2)C1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000558716168 1071963694 /nfs/dbraw/zinc/96/36/94/1071963694.db2.gz HUJJAPJIZTVEAI-RTBURBONSA-N 2 1 404.559 -1.175 20 0 HAADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)ccn1 ZINC000559753781 1071969985 /nfs/dbraw/zinc/96/99/85/1071969985.db2.gz MQVRKHZAWIFYHP-UHFFFAOYSA-N 2 1 420.514 -1.082 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000559771081 1071970568 /nfs/dbraw/zinc/97/05/68/1071970568.db2.gz QIODDYSXGPJYEH-UHFFFAOYSA-N 2 1 422.530 -1.967 20 0 HAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000559772264 1071971412 /nfs/dbraw/zinc/97/14/12/1071971412.db2.gz GLHAZUOFMBZIQF-UHFFFAOYSA-N 2 1 424.546 -1.721 20 0 HAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000559836164 1071972073 /nfs/dbraw/zinc/97/20/73/1071972073.db2.gz LUDVEPMXYSINAT-GOSISDBHSA-N 2 1 422.574 -1.105 20 0 HAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000559836164 1071972066 /nfs/dbraw/zinc/97/20/66/1071972066.db2.gz LUDVEPMXYSINAT-GOSISDBHSA-N 2 1 422.574 -1.105 20 0 HAADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000559836164 1071972058 /nfs/dbraw/zinc/97/20/58/1071972058.db2.gz LUDVEPMXYSINAT-GOSISDBHSA-N 2 1 422.574 -1.105 20 0 HAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000559836165 1071972029 /nfs/dbraw/zinc/97/20/29/1071972029.db2.gz LUDVEPMXYSINAT-SFHVURJKSA-N 2 1 422.574 -1.105 20 0 HAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000559836165 1071972023 /nfs/dbraw/zinc/97/20/23/1071972023.db2.gz LUDVEPMXYSINAT-SFHVURJKSA-N 2 1 422.574 -1.105 20 0 HAADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000559836165 1071972016 /nfs/dbraw/zinc/97/20/16/1071972016.db2.gz LUDVEPMXYSINAT-SFHVURJKSA-N 2 1 422.574 -1.105 20 0 HAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000559849095 1071971999 /nfs/dbraw/zinc/97/19/99/1071971999.db2.gz MUICQMZVESVUPI-UHFFFAOYSA-N 2 1 424.546 -1.674 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000560902065 1071979178 /nfs/dbraw/zinc/97/91/78/1071979178.db2.gz XGCQLVCXKSRZBZ-HNNXBMFYSA-N 2 1 410.519 -2.030 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000560902065 1071979172 /nfs/dbraw/zinc/97/91/72/1071979172.db2.gz XGCQLVCXKSRZBZ-HNNXBMFYSA-N 2 1 410.519 -2.030 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000560902067 1071980279 /nfs/dbraw/zinc/98/02/79/1071980279.db2.gz XGCQLVCXKSRZBZ-OAHLLOKOSA-N 2 1 410.519 -2.030 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000560902067 1071980273 /nfs/dbraw/zinc/98/02/73/1071980273.db2.gz XGCQLVCXKSRZBZ-OAHLLOKOSA-N 2 1 410.519 -2.030 20 0 HAADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000561122675 1071982089 /nfs/dbraw/zinc/98/20/89/1071982089.db2.gz UUGNCLUQWIXWPV-DLBZAZTESA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000561122675 1071982081 /nfs/dbraw/zinc/98/20/81/1071982081.db2.gz UUGNCLUQWIXWPV-DLBZAZTESA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000561122675 1071982075 /nfs/dbraw/zinc/98/20/75/1071982075.db2.gz UUGNCLUQWIXWPV-DLBZAZTESA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000561122676 1071982021 /nfs/dbraw/zinc/98/20/21/1071982021.db2.gz UUGNCLUQWIXWPV-IAGOWNOFSA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000561122676 1071982017 /nfs/dbraw/zinc/98/20/17/1071982017.db2.gz UUGNCLUQWIXWPV-IAGOWNOFSA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000561122676 1071982012 /nfs/dbraw/zinc/98/20/12/1071982012.db2.gz UUGNCLUQWIXWPV-IAGOWNOFSA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000561122677 1071982279 /nfs/dbraw/zinc/98/22/79/1071982279.db2.gz UUGNCLUQWIXWPV-IRXDYDNUSA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000561122677 1071982267 /nfs/dbraw/zinc/98/22/67/1071982267.db2.gz UUGNCLUQWIXWPV-IRXDYDNUSA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000561122677 1071982254 /nfs/dbraw/zinc/98/22/54/1071982254.db2.gz UUGNCLUQWIXWPV-IRXDYDNUSA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000561122678 1071982175 /nfs/dbraw/zinc/98/21/75/1071982175.db2.gz UUGNCLUQWIXWPV-SJORKVTESA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000561122678 1071982160 /nfs/dbraw/zinc/98/21/60/1071982160.db2.gz UUGNCLUQWIXWPV-SJORKVTESA-N 2 1 409.531 -1.022 20 0 HAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000561122678 1071982145 /nfs/dbraw/zinc/98/21/45/1071982145.db2.gz UUGNCLUQWIXWPV-SJORKVTESA-N 2 1 409.531 -1.022 20 0 HAADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000563703929 1071995481 /nfs/dbraw/zinc/99/54/81/1071995481.db2.gz VMRBLKGYZLNOJM-MSOLQXFVSA-N 2 1 422.574 -1.072 20 0 HAADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000563703930 1071995233 /nfs/dbraw/zinc/99/52/33/1071995233.db2.gz VMRBLKGYZLNOJM-QZTJIDSGSA-N 2 1 422.574 -1.072 20 0 HAADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000563703931 1071995311 /nfs/dbraw/zinc/99/53/11/1071995311.db2.gz VMRBLKGYZLNOJM-ROUUACIJSA-N 2 1 422.574 -1.072 20 0 HAADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000563703932 1071995559 /nfs/dbraw/zinc/99/55/59/1071995559.db2.gz VMRBLKGYZLNOJM-ZWKOTPCHSA-N 2 1 422.574 -1.072 20 0 HAADMP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000565788225 1072001953 /nfs/dbraw/zinc/00/19/53/1072001953.db2.gz DVSGZDRQKYUKJW-MSOLQXFVSA-N 2 1 422.574 -1.249 20 0 HAADMP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000565788229 1072002224 /nfs/dbraw/zinc/00/22/24/1072002224.db2.gz DVSGZDRQKYUKJW-QZTJIDSGSA-N 2 1 422.574 -1.249 20 0 HAADMP C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000565788230 1072002096 /nfs/dbraw/zinc/00/20/96/1072002096.db2.gz DVSGZDRQKYUKJW-ROUUACIJSA-N 2 1 422.574 -1.249 20 0 HAADMP C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000565788231 1072002194 /nfs/dbraw/zinc/00/21/94/1072002194.db2.gz DVSGZDRQKYUKJW-ZWKOTPCHSA-N 2 1 422.574 -1.249 20 0 HAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000567296497 1071309677 /nfs/dbraw/zinc/30/96/77/1071309677.db2.gz QMGHMSXTCTURGG-INIZCTEOSA-N 2 1 424.546 -1.674 20 0 HAADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000567296497 1071309670 /nfs/dbraw/zinc/30/96/70/1071309670.db2.gz QMGHMSXTCTURGG-INIZCTEOSA-N 2 1 424.546 -1.674 20 0 HAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000567296498 1071309813 /nfs/dbraw/zinc/30/98/13/1071309813.db2.gz QMGHMSXTCTURGG-MRXNPFEDSA-N 2 1 424.546 -1.674 20 0 HAADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000567296498 1071309808 /nfs/dbraw/zinc/30/98/08/1071309808.db2.gz QMGHMSXTCTURGG-MRXNPFEDSA-N 2 1 424.546 -1.674 20 0 HAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000568907473 1072010292 /nfs/dbraw/zinc/01/02/92/1072010292.db2.gz JJEJFSLWVCTPDA-INIZCTEOSA-N 2 1 422.530 -1.922 20 0 HAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000568907473 1072010287 /nfs/dbraw/zinc/01/02/87/1072010287.db2.gz JJEJFSLWVCTPDA-INIZCTEOSA-N 2 1 422.530 -1.922 20 0 HAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000568907474 1072010126 /nfs/dbraw/zinc/01/01/26/1072010126.db2.gz JJEJFSLWVCTPDA-MRXNPFEDSA-N 2 1 422.530 -1.922 20 0 HAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000568907474 1072010120 /nfs/dbraw/zinc/01/01/20/1072010120.db2.gz JJEJFSLWVCTPDA-MRXNPFEDSA-N 2 1 422.530 -1.922 20 0 HAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000571547329 1072018364 /nfs/dbraw/zinc/01/83/64/1072018364.db2.gz GOOJPPJINGSCTQ-UHFFFAOYSA-N 2 1 404.475 -1.294 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000571955082 1071376036 /nfs/dbraw/zinc/37/60/36/1071376036.db2.gz YWNYKGGUXPJVPG-DLBZAZTESA-N 2 1 409.531 -1.239 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000571955083 1071376244 /nfs/dbraw/zinc/37/62/44/1071376244.db2.gz YWNYKGGUXPJVPG-IAGOWNOFSA-N 2 1 409.531 -1.239 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000571955084 1071375939 /nfs/dbraw/zinc/37/59/39/1071375939.db2.gz YWNYKGGUXPJVPG-IRXDYDNUSA-N 2 1 409.531 -1.239 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000571955085 1071376211 /nfs/dbraw/zinc/37/62/11/1071376211.db2.gz YWNYKGGUXPJVPG-SJORKVTESA-N 2 1 409.531 -1.239 20 0 HAADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000574472350 1071395911 /nfs/dbraw/zinc/39/59/11/1071395911.db2.gz CKKYMPKZNGKCNT-CVEARBPZSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000574472350 1071395900 /nfs/dbraw/zinc/39/59/00/1071395900.db2.gz CKKYMPKZNGKCNT-CVEARBPZSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000574472350 1071395892 /nfs/dbraw/zinc/39/58/92/1071395892.db2.gz CKKYMPKZNGKCNT-CVEARBPZSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000574472350 1071395888 /nfs/dbraw/zinc/39/58/88/1071395888.db2.gz CKKYMPKZNGKCNT-CVEARBPZSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000574472350 1071395880 /nfs/dbraw/zinc/39/58/80/1071395880.db2.gz CKKYMPKZNGKCNT-CVEARBPZSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000574472351 1071395827 /nfs/dbraw/zinc/39/58/27/1071395827.db2.gz CKKYMPKZNGKCNT-HOTGVXAUSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000574472351 1071395820 /nfs/dbraw/zinc/39/58/20/1071395820.db2.gz CKKYMPKZNGKCNT-HOTGVXAUSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000574472351 1071395814 /nfs/dbraw/zinc/39/58/14/1071395814.db2.gz CKKYMPKZNGKCNT-HOTGVXAUSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000574472351 1071395811 /nfs/dbraw/zinc/39/58/11/1071395811.db2.gz CKKYMPKZNGKCNT-HOTGVXAUSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000574472351 1071395805 /nfs/dbraw/zinc/39/58/05/1071395805.db2.gz CKKYMPKZNGKCNT-HOTGVXAUSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574472352 1071396109 /nfs/dbraw/zinc/39/61/09/1071396109.db2.gz CKKYMPKZNGKCNT-HZPDHXFCSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574472352 1071396087 /nfs/dbraw/zinc/39/60/87/1071396087.db2.gz CKKYMPKZNGKCNT-HZPDHXFCSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000574472352 1071396070 /nfs/dbraw/zinc/39/60/70/1071396070.db2.gz CKKYMPKZNGKCNT-HZPDHXFCSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000574472352 1071396062 /nfs/dbraw/zinc/39/60/62/1071396062.db2.gz CKKYMPKZNGKCNT-HZPDHXFCSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574472352 1071396051 /nfs/dbraw/zinc/39/60/51/1071396051.db2.gz CKKYMPKZNGKCNT-HZPDHXFCSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574472353 1071395746 /nfs/dbraw/zinc/39/57/46/1071395746.db2.gz CKKYMPKZNGKCNT-JKSUJKDBSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574472353 1071395742 /nfs/dbraw/zinc/39/57/42/1071395742.db2.gz CKKYMPKZNGKCNT-JKSUJKDBSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000574472353 1071395732 /nfs/dbraw/zinc/39/57/32/1071395732.db2.gz CKKYMPKZNGKCNT-JKSUJKDBSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000574472353 1071395725 /nfs/dbraw/zinc/39/57/25/1071395725.db2.gz CKKYMPKZNGKCNT-JKSUJKDBSA-N 2 1 411.547 -1.006 20 0 HAADMP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574472353 1071395716 /nfs/dbraw/zinc/39/57/16/1071395716.db2.gz CKKYMPKZNGKCNT-JKSUJKDBSA-N 2 1 411.547 -1.006 20 0 HAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000576127195 1072026531 /nfs/dbraw/zinc/02/65/31/1072026531.db2.gz MYGGARGIOMGWSW-INIZCTEOSA-N 2 1 422.530 -1.968 20 0 HAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000576127195 1072026525 /nfs/dbraw/zinc/02/65/25/1072026525.db2.gz MYGGARGIOMGWSW-INIZCTEOSA-N 2 1 422.530 -1.968 20 0 HAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000576127196 1072026633 /nfs/dbraw/zinc/02/66/33/1072026633.db2.gz MYGGARGIOMGWSW-MRXNPFEDSA-N 2 1 422.530 -1.968 20 0 HAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000576127196 1072026623 /nfs/dbraw/zinc/02/66/23/1072026623.db2.gz MYGGARGIOMGWSW-MRXNPFEDSA-N 2 1 422.530 -1.968 20 0 HAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000577395363 1072029811 /nfs/dbraw/zinc/02/98/11/1072029811.db2.gz KJXLMAFRDTZEFB-UHFFFAOYSA-N 2 1 422.530 -1.920 20 0 HAADMP CC[C@H](CO)[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000579818436 1070794171 /nfs/dbraw/zinc/79/41/71/1070794171.db2.gz ULUTXEAHWLRNKH-QZTJIDSGSA-N 2 1 414.547 -1.167 20 0 HAADMP CC[C@@H](CO)[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000579818437 1070793992 /nfs/dbraw/zinc/79/39/92/1070793992.db2.gz ULUTXEAHWLRNKH-ROUUACIJSA-N 2 1 414.547 -1.167 20 0 HAADMP O=C(CSCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000590541603 1071385258 /nfs/dbraw/zinc/38/52/58/1071385258.db2.gz DAVXOWYNZLQVED-HDICACEKSA-N 2 1 424.615 -1.268 20 0 HAADMP O=C(CSCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000590541603 1071385250 /nfs/dbraw/zinc/38/52/50/1071385250.db2.gz DAVXOWYNZLQVED-HDICACEKSA-N 2 1 424.615 -1.268 20 0 HAADMP O=C(CSCC(=O)NC[C@H]1C[NH+]2CCN1CCC2)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000590541603 1071385238 /nfs/dbraw/zinc/38/52/38/1071385238.db2.gz DAVXOWYNZLQVED-HDICACEKSA-N 2 1 424.615 -1.268 20 0 HAADMP O=C(CSCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000590541604 1071384383 /nfs/dbraw/zinc/38/43/83/1071384383.db2.gz DAVXOWYNZLQVED-QZTJIDSGSA-N 2 1 424.615 -1.268 20 0 HAADMP O=C(CSCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000590541605 1071384598 /nfs/dbraw/zinc/38/45/98/1071384598.db2.gz DAVXOWYNZLQVED-ROUUACIJSA-N 2 1 424.615 -1.268 20 0 HAADMP CC(C)(O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000592408690 1071393175 /nfs/dbraw/zinc/39/31/75/1071393175.db2.gz NRDXIRZMMKFBBU-UHFFFAOYSA-N 2 1 414.547 -1.167 20 0 HAADMP C[NH+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCN(C(=O)CN3CC[C@@H]4C[N@@H+](C)C[C@H]43)CC2)C1 ZINC000644733939 1072046470 /nfs/dbraw/zinc/04/64/70/1072046470.db2.gz VYBKJLYDEIUKQY-FGYAAKKASA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCN(C(=O)CN3CC[C@@H]4C[N@H+](C)C[C@H]43)CC2)C1 ZINC000644733939 1072046464 /nfs/dbraw/zinc/04/64/64/1072046464.db2.gz VYBKJLYDEIUKQY-FGYAAKKASA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@H]5C[N@H+](C)C[C@@H]54)CC3)[C@@H]2C1 ZINC000644733939 1072046453 /nfs/dbraw/zinc/04/64/53/1072046453.db2.gz VYBKJLYDEIUKQY-FGYAAKKASA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@@H]5C[N@@H+](C)C[C@H]54)CC3)[C@@H]2C1 ZINC000644733940 1072046435 /nfs/dbraw/zinc/04/64/35/1072046435.db2.gz VYBKJLYDEIUKQY-IYWMVGAKSA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@@H]5C[N@H+](C)C[C@H]54)CC3)[C@@H]2C1 ZINC000644733940 1072046425 /nfs/dbraw/zinc/04/64/25/1072046425.db2.gz VYBKJLYDEIUKQY-IYWMVGAKSA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@H]5C[N@H+](C)C[C@H]54)CC3)[C@@H]2C1 ZINC000644733940 1072046420 /nfs/dbraw/zinc/04/64/20/1072046420.db2.gz VYBKJLYDEIUKQY-IYWMVGAKSA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@H]5C[N@@H+](C)C[C@H]54)CC3)[C@H]2C1 ZINC000644733941 1072046523 /nfs/dbraw/zinc/04/65/23/1072046523.db2.gz VYBKJLYDEIUKQY-JVSBHGNQSA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@H]5C[N@H+](C)C[C@H]54)CC3)[C@H]2C1 ZINC000644733941 1072046514 /nfs/dbraw/zinc/04/65/14/1072046514.db2.gz VYBKJLYDEIUKQY-JVSBHGNQSA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@@H]5C[N@H+](C)C[C@@H]54)CC3)[C@@H]2C1 ZINC000644733941 1072046506 /nfs/dbraw/zinc/04/65/06/1072046506.db2.gz VYBKJLYDEIUKQY-JVSBHGNQSA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCN(C(=O)CN3CC[C@@H]4C[N@@H+](C)C[C@@H]43)CC2)C1 ZINC000644733942 1072046564 /nfs/dbraw/zinc/04/65/64/1072046564.db2.gz VYBKJLYDEIUKQY-YRPNKDGESA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCN(C(=O)CN3CC[C@@H]4C[N@H+](C)C[C@@H]43)CC2)C1 ZINC000644733942 1072046552 /nfs/dbraw/zinc/04/65/52/1072046552.db2.gz VYBKJLYDEIUKQY-YRPNKDGESA-N 2 1 418.586 -1.071 20 0 HAADMP C[NH+]1C[C@H]2CCN(CC(=O)N3CCN(C(=O)CN4CC[C@H]5C[N@H+](C)C[C@@H]54)CC3)[C@H]2C1 ZINC000644733942 1072046543 /nfs/dbraw/zinc/04/65/43/1072046543.db2.gz VYBKJLYDEIUKQY-YRPNKDGESA-N 2 1 418.586 -1.071 20 0 HAADMP O=C(COCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000670407897 1071504924 /nfs/dbraw/zinc/50/49/24/1071504924.db2.gz CCLVUVJESNCOAM-HDICACEKSA-N 2 1 408.547 -1.985 20 0 HAADMP O=C(COCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000670407897 1071504916 /nfs/dbraw/zinc/50/49/16/1071504916.db2.gz CCLVUVJESNCOAM-HDICACEKSA-N 2 1 408.547 -1.985 20 0 HAADMP O=C(COCC(=O)NC[C@H]1C[NH+]2CCN1CCC2)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670407897 1071504900 /nfs/dbraw/zinc/50/49/00/1071504900.db2.gz CCLVUVJESNCOAM-HDICACEKSA-N 2 1 408.547 -1.985 20 0 HAADMP O=C(COCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000670407898 1071505039 /nfs/dbraw/zinc/50/50/39/1071505039.db2.gz CCLVUVJESNCOAM-QZTJIDSGSA-N 2 1 408.547 -1.985 20 0 HAADMP O=C(COCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000670407899 1071505102 /nfs/dbraw/zinc/50/51/02/1071505102.db2.gz CCLVUVJESNCOAM-ROUUACIJSA-N 2 1 408.547 -1.985 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670967348 1071546420 /nfs/dbraw/zinc/54/64/20/1071546420.db2.gz BCJKBRWNHCCGKE-KRWDZBQOSA-N 2 1 408.547 -1.495 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670967348 1071546414 /nfs/dbraw/zinc/54/64/14/1071546414.db2.gz BCJKBRWNHCCGKE-KRWDZBQOSA-N 2 1 408.547 -1.495 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670967349 1071546219 /nfs/dbraw/zinc/54/62/19/1071546219.db2.gz BCJKBRWNHCCGKE-QGZVFWFLSA-N 2 1 408.547 -1.495 20 0 HAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670967349 1071546208 /nfs/dbraw/zinc/54/62/08/1071546208.db2.gz BCJKBRWNHCCGKE-QGZVFWFLSA-N 2 1 408.547 -1.495 20 0 HAADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000671033743 1071549407 /nfs/dbraw/zinc/54/94/07/1071549407.db2.gz PPIUOYOOFOJHDK-UHFFFAOYSA-N 2 1 422.574 -1.103 20 0 HAADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000671981426 1071584242 /nfs/dbraw/zinc/58/42/42/1071584242.db2.gz CHACTOPKXMNYCQ-MSOLQXFVSA-N 2 1 422.574 -1.072 20 0 HAADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000671981426 1071584236 /nfs/dbraw/zinc/58/42/36/1071584236.db2.gz CHACTOPKXMNYCQ-MSOLQXFVSA-N 2 1 422.574 -1.072 20 0 HAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000671981426 1071584227 /nfs/dbraw/zinc/58/42/27/1071584227.db2.gz CHACTOPKXMNYCQ-MSOLQXFVSA-N 2 1 422.574 -1.072 20 0 HAADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000671981427 1071583939 /nfs/dbraw/zinc/58/39/39/1071583939.db2.gz CHACTOPKXMNYCQ-QZTJIDSGSA-N 2 1 422.574 -1.072 20 0 HAADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000671981427 1071583932 /nfs/dbraw/zinc/58/39/32/1071583932.db2.gz CHACTOPKXMNYCQ-QZTJIDSGSA-N 2 1 422.574 -1.072 20 0 HAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000671981427 1071583929 /nfs/dbraw/zinc/58/39/29/1071583929.db2.gz CHACTOPKXMNYCQ-QZTJIDSGSA-N 2 1 422.574 -1.072 20 0 HAADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000671981428 1071584262 /nfs/dbraw/zinc/58/42/62/1071584262.db2.gz CHACTOPKXMNYCQ-ROUUACIJSA-N 2 1 422.574 -1.072 20 0 HAADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000671981428 1071584257 /nfs/dbraw/zinc/58/42/57/1071584257.db2.gz CHACTOPKXMNYCQ-ROUUACIJSA-N 2 1 422.574 -1.072 20 0 HAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000671981428 1071584251 /nfs/dbraw/zinc/58/42/51/1071584251.db2.gz CHACTOPKXMNYCQ-ROUUACIJSA-N 2 1 422.574 -1.072 20 0 HAADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000671981429 1071584283 /nfs/dbraw/zinc/58/42/83/1071584283.db2.gz CHACTOPKXMNYCQ-ZWKOTPCHSA-N 2 1 422.574 -1.072 20 0 HAADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000671981429 1071584278 /nfs/dbraw/zinc/58/42/78/1071584278.db2.gz CHACTOPKXMNYCQ-ZWKOTPCHSA-N 2 1 422.574 -1.072 20 0 HAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000671981429 1071584270 /nfs/dbraw/zinc/58/42/70/1071584270.db2.gz CHACTOPKXMNYCQ-ZWKOTPCHSA-N 2 1 422.574 -1.072 20 0 HAADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981540 1071584127 /nfs/dbraw/zinc/58/41/27/1071584127.db2.gz QPJDSEVATVTIGX-DLBZAZTESA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981540 1071584120 /nfs/dbraw/zinc/58/41/20/1071584120.db2.gz QPJDSEVATVTIGX-DLBZAZTESA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981540 1071584119 /nfs/dbraw/zinc/58/41/19/1071584119.db2.gz QPJDSEVATVTIGX-DLBZAZTESA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981540 1071584112 /nfs/dbraw/zinc/58/41/12/1071584112.db2.gz QPJDSEVATVTIGX-DLBZAZTESA-N 2 1 422.574 -1.025 20 0 HAADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981540 1071584105 /nfs/dbraw/zinc/58/41/05/1071584105.db2.gz QPJDSEVATVTIGX-DLBZAZTESA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981541 1071584044 /nfs/dbraw/zinc/58/40/44/1071584044.db2.gz QPJDSEVATVTIGX-IAGOWNOFSA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981541 1071584038 /nfs/dbraw/zinc/58/40/38/1071584038.db2.gz QPJDSEVATVTIGX-IAGOWNOFSA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981541 1071584029 /nfs/dbraw/zinc/58/40/29/1071584029.db2.gz QPJDSEVATVTIGX-IAGOWNOFSA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981541 1071584022 /nfs/dbraw/zinc/58/40/22/1071584022.db2.gz QPJDSEVATVTIGX-IAGOWNOFSA-N 2 1 422.574 -1.025 20 0 HAADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981541 1071584014 /nfs/dbraw/zinc/58/40/14/1071584014.db2.gz QPJDSEVATVTIGX-IAGOWNOFSA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981542 1071583858 /nfs/dbraw/zinc/58/38/58/1071583858.db2.gz QPJDSEVATVTIGX-IRXDYDNUSA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981542 1071583855 /nfs/dbraw/zinc/58/38/55/1071583855.db2.gz QPJDSEVATVTIGX-IRXDYDNUSA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981542 1071583850 /nfs/dbraw/zinc/58/38/50/1071583850.db2.gz QPJDSEVATVTIGX-IRXDYDNUSA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981542 1071583846 /nfs/dbraw/zinc/58/38/46/1071583846.db2.gz QPJDSEVATVTIGX-IRXDYDNUSA-N 2 1 422.574 -1.025 20 0 HAADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000671981542 1071583843 /nfs/dbraw/zinc/58/38/43/1071583843.db2.gz QPJDSEVATVTIGX-IRXDYDNUSA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981543 1071584181 /nfs/dbraw/zinc/58/41/81/1071584181.db2.gz QPJDSEVATVTIGX-SJORKVTESA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981543 1071584173 /nfs/dbraw/zinc/58/41/73/1071584173.db2.gz QPJDSEVATVTIGX-SJORKVTESA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981543 1071584169 /nfs/dbraw/zinc/58/41/69/1071584169.db2.gz QPJDSEVATVTIGX-SJORKVTESA-N 2 1 422.574 -1.025 20 0 HAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981543 1071584162 /nfs/dbraw/zinc/58/41/62/1071584162.db2.gz QPJDSEVATVTIGX-SJORKVTESA-N 2 1 422.574 -1.025 20 0 HAADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000671981543 1071584156 /nfs/dbraw/zinc/58/41/56/1071584156.db2.gz QPJDSEVATVTIGX-SJORKVTESA-N 2 1 422.574 -1.025 20 0 HAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672513976 1071593007 /nfs/dbraw/zinc/59/30/07/1071593007.db2.gz YXYXBKZFVYTZMB-GOSISDBHSA-N 2 1 422.574 -1.106 20 0 HAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000672513976 1071593003 /nfs/dbraw/zinc/59/30/03/1071593003.db2.gz YXYXBKZFVYTZMB-GOSISDBHSA-N 2 1 422.574 -1.106 20 0 HAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672513977 1071593039 /nfs/dbraw/zinc/59/30/39/1071593039.db2.gz YXYXBKZFVYTZMB-SFHVURJKSA-N 2 1 422.574 -1.106 20 0 HAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000672513977 1071593033 /nfs/dbraw/zinc/59/30/33/1071593033.db2.gz YXYXBKZFVYTZMB-SFHVURJKSA-N 2 1 422.574 -1.106 20 0 HAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cn1 ZINC000682065432 1072079332 /nfs/dbraw/zinc/07/93/32/1072079332.db2.gz QMPOISPKIXJENW-UHFFFAOYSA-N 2 1 423.518 -1.586 20 0 HAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cn1 ZINC000682065432 1072079323 /nfs/dbraw/zinc/07/93/23/1072079323.db2.gz QMPOISPKIXJENW-UHFFFAOYSA-N 2 1 423.518 -1.586 20 0 HAADMP O=C(COCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729843133 1071233910 /nfs/dbraw/zinc/23/39/10/1071233910.db2.gz YDRWVQWRYBCMFZ-BRSBDYLESA-N 2 1 410.515 -1.038 20 0 HAADMP O=C(COCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729843134 1071234016 /nfs/dbraw/zinc/23/40/16/1071234016.db2.gz YDRWVQWRYBCMFZ-TVFCKZIOSA-N 2 1 410.515 -1.038 20 0 HAADMP O=C(COCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729843134 1071234007 /nfs/dbraw/zinc/23/40/07/1071234007.db2.gz YDRWVQWRYBCMFZ-TVFCKZIOSA-N 2 1 410.515 -1.038 20 0 HAADMP O=C(COCC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729843134 1071233999 /nfs/dbraw/zinc/23/39/99/1071233999.db2.gz YDRWVQWRYBCMFZ-TVFCKZIOSA-N 2 1 410.515 -1.038 20 0 HAADMP O=C(COCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729843135 1071233954 /nfs/dbraw/zinc/23/39/54/1071233954.db2.gz YDRWVQWRYBCMFZ-USTZCAOPSA-N 2 1 410.515 -1.038 20 0 HAADMP O=C(COCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729843135 1071233947 /nfs/dbraw/zinc/23/39/47/1071233947.db2.gz YDRWVQWRYBCMFZ-USTZCAOPSA-N 2 1 410.515 -1.038 20 0 HAADMP O=C(COCC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729843135 1071233940 /nfs/dbraw/zinc/23/39/40/1071233940.db2.gz YDRWVQWRYBCMFZ-USTZCAOPSA-N 2 1 410.515 -1.038 20 0 HAADMP O=C(COCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729843136 1071233696 /nfs/dbraw/zinc/23/36/96/1071233696.db2.gz YDRWVQWRYBCMFZ-XMTFNYHQSA-N 2 1 410.515 -1.038 20 0 HAADMP O=C(COCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729843136 1071233684 /nfs/dbraw/zinc/23/36/84/1071233684.db2.gz YDRWVQWRYBCMFZ-XMTFNYHQSA-N 2 1 410.515 -1.038 20 0 HAADMP O=C(COCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000729843136 1071233673 /nfs/dbraw/zinc/23/36/73/1071233673.db2.gz YDRWVQWRYBCMFZ-XMTFNYHQSA-N 2 1 410.515 -1.038 20 0 HAADMP O=C1NC[C@H]2C[NH+](CCCCCC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912524 1071680851 /nfs/dbraw/zinc/68/08/51/1071680851.db2.gz RTDRPNLTPGVORP-HOTGVXAUSA-N 2 1 420.514 -2.168 20 0 HAADMP O=C1NC[C@@H]2C[NH+](CCCCCC[N@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000766912525 1071681085 /nfs/dbraw/zinc/68/10/85/1071681085.db2.gz RTDRPNLTPGVORP-HZPDHXFCSA-N 2 1 420.514 -2.168 20 0 HAADMP O=C1NC[C@@H]2C[N@@H+](CCCCCC[NH+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912526 1071680996 /nfs/dbraw/zinc/68/09/96/1071680996.db2.gz RTDRPNLTPGVORP-IYBDPMFKSA-N 2 1 420.514 -2.168 20 0 HAADMP O=C1NC[C@@H]2C[N@H+](CCCCCC[NH+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912526 1071680982 /nfs/dbraw/zinc/68/09/82/1071680982.db2.gz RTDRPNLTPGVORP-IYBDPMFKSA-N 2 1 420.514 -2.168 20 0 HAADMP O=C1NC[C@@H]2C[NH+](CCCCCC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912526 1071680976 /nfs/dbraw/zinc/68/09/76/1071680976.db2.gz RTDRPNLTPGVORP-IYBDPMFKSA-N 2 1 420.514 -2.168 20 0 HAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804051202 1072082265 /nfs/dbraw/zinc/08/22/65/1072082265.db2.gz OATHJNHGRSQNNF-BRWVUGGUSA-N 2 1 407.515 -1.269 20 0 HAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804051203 1072082382 /nfs/dbraw/zinc/08/23/82/1072082382.db2.gz OATHJNHGRSQNNF-GVDBMIGSSA-N 2 1 407.515 -1.269 20 0 HAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804051204 1072082423 /nfs/dbraw/zinc/08/24/23/1072082423.db2.gz OATHJNHGRSQNNF-IXDOHACOSA-N 2 1 407.515 -1.269 20 0 HAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804051205 1072083031 /nfs/dbraw/zinc/08/30/31/1072083031.db2.gz OATHJNHGRSQNNF-YESZJQIVSA-N 2 1 407.515 -1.269 20 0 HAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804051205 1072083026 /nfs/dbraw/zinc/08/30/26/1072083026.db2.gz OATHJNHGRSQNNF-YESZJQIVSA-N 2 1 407.515 -1.269 20 0 HAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804051205 1072083024 /nfs/dbraw/zinc/08/30/24/1072083024.db2.gz OATHJNHGRSQNNF-YESZJQIVSA-N 2 1 407.515 -1.269 20 0 HAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804059390 1072084537 /nfs/dbraw/zinc/08/45/37/1072084537.db2.gz LBKBRTDYOFCRMF-MSOLQXFVSA-N 2 1 421.542 -1.022 20 0 HAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804059390 1072084532 /nfs/dbraw/zinc/08/45/32/1072084532.db2.gz LBKBRTDYOFCRMF-MSOLQXFVSA-N 2 1 421.542 -1.022 20 0 HAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804059392 1072084336 /nfs/dbraw/zinc/08/43/36/1072084336.db2.gz LBKBRTDYOFCRMF-QZTJIDSGSA-N 2 1 421.542 -1.022 20 0 HAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804059392 1072084325 /nfs/dbraw/zinc/08/43/25/1072084325.db2.gz LBKBRTDYOFCRMF-QZTJIDSGSA-N 2 1 421.542 -1.022 20 0 HAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804059394 1072084075 /nfs/dbraw/zinc/08/40/75/1072084075.db2.gz LBKBRTDYOFCRMF-ROUUACIJSA-N 2 1 421.542 -1.022 20 0 HAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804059394 1072084059 /nfs/dbraw/zinc/08/40/59/1072084059.db2.gz LBKBRTDYOFCRMF-ROUUACIJSA-N 2 1 421.542 -1.022 20 0 HAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804059396 1072084482 /nfs/dbraw/zinc/08/44/82/1072084482.db2.gz LBKBRTDYOFCRMF-ZWKOTPCHSA-N 2 1 421.542 -1.022 20 0 HAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804059396 1072084473 /nfs/dbraw/zinc/08/44/73/1072084473.db2.gz LBKBRTDYOFCRMF-ZWKOTPCHSA-N 2 1 421.542 -1.022 20 0 HAADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804059695 1072084234 /nfs/dbraw/zinc/08/42/34/1072084234.db2.gz JTOCIAHVYYSRAH-DLBZAZTESA-N 2 1 407.515 -1.268 20 0 HAADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059696 1072084559 /nfs/dbraw/zinc/08/45/59/1072084559.db2.gz JTOCIAHVYYSRAH-IAGOWNOFSA-N 2 1 407.515 -1.268 20 0 HAADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804059697 1072083997 /nfs/dbraw/zinc/08/39/97/1072083997.db2.gz JTOCIAHVYYSRAH-IRXDYDNUSA-N 2 1 407.515 -1.268 20 0 HAADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059698 1072084194 /nfs/dbraw/zinc/08/41/94/1072084194.db2.gz JTOCIAHVYYSRAH-SJORKVTESA-N 2 1 407.515 -1.268 20 0 HAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804060720 1072084500 /nfs/dbraw/zinc/08/45/00/1072084500.db2.gz UKPNKAZIUANGSS-DLBZAZTESA-N 2 1 409.531 -1.022 20 0 HAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804060722 1072084132 /nfs/dbraw/zinc/08/41/32/1072084132.db2.gz UKPNKAZIUANGSS-IAGOWNOFSA-N 2 1 409.531 -1.022 20 0 HAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804060724 1072084163 /nfs/dbraw/zinc/08/41/63/1072084163.db2.gz UKPNKAZIUANGSS-IRXDYDNUSA-N 2 1 409.531 -1.022 20 0 HAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804060726 1072084417 /nfs/dbraw/zinc/08/44/17/1072084417.db2.gz UKPNKAZIUANGSS-SJORKVTESA-N 2 1 409.531 -1.022 20 0 HAADMP O=C(C[NH+]1C[C@H](O)C[C@H]1CO)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC001116637541 1072119437 /nfs/dbraw/zinc/11/94/37/1072119437.db2.gz CPFXGVBRPWKGPM-CAOSSQGBSA-N 2 1 400.476 -3.488 20 0 HAADMP O=C(C[NH+]1C[C@H](O)C[C@H]1CO)N1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC001116637541 1072119431 /nfs/dbraw/zinc/11/94/31/1072119431.db2.gz CPFXGVBRPWKGPM-CAOSSQGBSA-N 2 1 400.476 -3.488 20 0 HAADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cn21 ZINC001150406035 1072139634 /nfs/dbraw/zinc/13/96/34/1072139634.db2.gz KKFZBCHBNQUWFQ-AWEZNQCLSA-N 2 1 420.478 -1.074 20 0 HAADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cn21 ZINC001150406035 1072139631 /nfs/dbraw/zinc/13/96/31/1072139631.db2.gz KKFZBCHBNQUWFQ-AWEZNQCLSA-N 2 1 420.478 -1.074 20 0 HAADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cn21 ZINC001150406037 1072139550 /nfs/dbraw/zinc/13/95/50/1072139550.db2.gz KKFZBCHBNQUWFQ-CQSZACIVSA-N 2 1 420.478 -1.074 20 0 HAADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cn21 ZINC001150406037 1072139544 /nfs/dbraw/zinc/13/95/44/1072139544.db2.gz KKFZBCHBNQUWFQ-CQSZACIVSA-N 2 1 420.478 -1.074 20 0 HAADMP C[N@H+]1C[C@H](C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)OC2(CC[NH2+]CC2)C1 ZINC001157303370 1072154489 /nfs/dbraw/zinc/15/44/89/1072154489.db2.gz GRRRGNKWTVKRRE-DLBZAZTESA-N 2 1 417.510 -1.232 20 0 HAADMP C[N@H+]1C[C@@H](C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)OC2(CC[NH2+]CC2)C1 ZINC001157303374 1072154571 /nfs/dbraw/zinc/15/45/71/1072154571.db2.gz GRRRGNKWTVKRRE-IRXDYDNUSA-N 2 1 417.510 -1.232 20 0 HAADMP C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421605 1072155688 /nfs/dbraw/zinc/15/56/88/1072155688.db2.gz ABWZGFNRJQXNKR-PYCOOKQFSA-N 2 1 403.476 -2.601 20 0 HAADMP C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421630 1072155662 /nfs/dbraw/zinc/15/56/62/1072155662.db2.gz ABWZGFNRJQXNKR-SJVDBBHQSA-N 2 1 403.476 -2.601 20 0 HAADMP C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421843 1072155804 /nfs/dbraw/zinc/15/58/04/1072155804.db2.gz BJCPHTLLHUFWDN-KAZSKIEPSA-N 2 1 401.504 -1.589 20 0 HAADMP C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421851 1072155822 /nfs/dbraw/zinc/15/58/22/1072155822.db2.gz BJCPHTLLHUFWDN-SPTQXUEESA-N 2 1 401.504 -1.589 20 0 HAADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC([NH+](C)C)C1)C(=O)CF ZINC001157689262 1072158085 /nfs/dbraw/zinc/15/80/85/1072158085.db2.gz RNBKLDWQZAPSEH-RBOXIYTFSA-N 2 1 401.483 -1.340 20 0 HAADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)cn21 ZINC001158109328 1072160203 /nfs/dbraw/zinc/16/02/03/1072160203.db2.gz BGEIVVCJZLYCGF-FOIQADDNSA-N 2 1 412.498 -1.048 20 0 HAADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)cn21 ZINC001158109328 1072160198 /nfs/dbraw/zinc/16/01/98/1072160198.db2.gz BGEIVVCJZLYCGF-FOIQADDNSA-N 2 1 412.498 -1.048 20 0 HAADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)cn21 ZINC001158109330 1072160392 /nfs/dbraw/zinc/16/03/92/1072160392.db2.gz BGEIVVCJZLYCGF-MGPUTAFESA-N 2 1 412.498 -1.048 20 0 HAADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)cn21 ZINC001158109330 1072160388 /nfs/dbraw/zinc/16/03/88/1072160388.db2.gz BGEIVVCJZLYCGF-MGPUTAFESA-N 2 1 412.498 -1.048 20 0 HAADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)cn21 ZINC001158109333 1072160267 /nfs/dbraw/zinc/16/02/67/1072160267.db2.gz BGEIVVCJZLYCGF-QRWLVFNGSA-N 2 1 412.498 -1.048 20 0 HAADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)cn21 ZINC001158109333 1072160265 /nfs/dbraw/zinc/16/02/65/1072160265.db2.gz BGEIVVCJZLYCGF-QRWLVFNGSA-N 2 1 412.498 -1.048 20 0 HAADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)cn21 ZINC001158109335 1072160333 /nfs/dbraw/zinc/16/03/33/1072160333.db2.gz BGEIVVCJZLYCGF-YWZLYKJASA-N 2 1 412.498 -1.048 20 0 HAADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)cn21 ZINC001158109335 1072160329 /nfs/dbraw/zinc/16/03/29/1072160329.db2.gz BGEIVVCJZLYCGF-YWZLYKJASA-N 2 1 412.498 -1.048 20 0 HAADMP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681132 1072163558 /nfs/dbraw/zinc/16/35/58/1072163558.db2.gz LLWFGHDFIXNDPE-LSDHHAIUSA-N 2 1 424.527 -1.526 20 0 HAADMP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001158735632 1072164801 /nfs/dbraw/zinc/16/48/01/1072164801.db2.gz WIVZLIXEXIIKDT-LLVKDONJSA-N 2 1 418.497 -1.615 20 0 HAADMP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001158735634 1072164737 /nfs/dbraw/zinc/16/47/37/1072164737.db2.gz WIVZLIXEXIIKDT-NSHDSACASA-N 2 1 418.497 -1.615 20 0 HAADMP C[N@H+]1C[C@@H](C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)OC2(CC[NH2+]CC2)C1 ZINC001158821671 1072166888 /nfs/dbraw/zinc/16/68/88/1072166888.db2.gz PAGQHIRVEKJUNQ-INIZCTEOSA-N 2 1 419.530 -1.095 20 0 HAADMP C[N@H+]1C[C@H](C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)OC2(CC[NH2+]CC2)C1 ZINC001158821672 1072166993 /nfs/dbraw/zinc/16/69/93/1072166993.db2.gz PAGQHIRVEKJUNQ-MRXNPFEDSA-N 2 1 419.530 -1.095 20 0 HAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2 ZINC001158890855 1072167624 /nfs/dbraw/zinc/16/76/24/1072167624.db2.gz OULOQYQZEQQHLA-UONOGXRCSA-N 2 1 410.519 -1.713 20 0 HAADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001159123004 1072173655 /nfs/dbraw/zinc/17/36/55/1072173655.db2.gz CGVBANJEKMYOBI-KRWDZBQOSA-N 2 1 419.548 -2.106 20 0 HAADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001159123004 1072173654 /nfs/dbraw/zinc/17/36/54/1072173654.db2.gz CGVBANJEKMYOBI-KRWDZBQOSA-N 2 1 419.548 -2.106 20 0 HAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001159123005 1072173473 /nfs/dbraw/zinc/17/34/73/1072173473.db2.gz CGVBANJEKMYOBI-QGZVFWFLSA-N 2 1 419.548 -2.106 20 0 HAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001159123005 1072173471 /nfs/dbraw/zinc/17/34/71/1072173471.db2.gz CGVBANJEKMYOBI-QGZVFWFLSA-N 2 1 419.548 -2.106 20 0 HAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159166233 1072175031 /nfs/dbraw/zinc/17/50/31/1072175031.db2.gz JPBLAJWQVDXFOS-ITWBUVANSA-N 2 1 419.530 -1.196 20 0 HAADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001159191468 1072176704 /nfs/dbraw/zinc/17/67/04/1072176704.db2.gz GUFKBORJDNHNMY-HNNXBMFYSA-N 2 1 407.519 -1.399 20 0 HAADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001159191470 1072176765 /nfs/dbraw/zinc/17/67/65/1072176765.db2.gz GUFKBORJDNHNMY-OAHLLOKOSA-N 2 1 407.519 -1.399 20 0 HAADMP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC3)C1=O ZINC001159191904 1072177287 /nfs/dbraw/zinc/17/72/87/1072177287.db2.gz ZSLMXQIYDGOGNO-GUYCJALGSA-N 2 1 401.533 -1.605 20 0 HAADMP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC3)C1=O ZINC001159191906 1072177200 /nfs/dbraw/zinc/17/72/00/1072177200.db2.gz ZSLMXQIYDGOGNO-SUMWQHHRSA-N 2 1 401.533 -1.605 20 0 HAADMP CO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317516 1072179032 /nfs/dbraw/zinc/17/90/32/1072179032.db2.gz WOIBMWXYQJFFFA-OGCZYDBJSA-N 2 1 405.499 -1.046 20 0 HAADMP CC(=O)OC[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393387 1072179702 /nfs/dbraw/zinc/17/97/02/1072179702.db2.gz DUMKLWIHWLIUIP-SOUVJXGZSA-N 2 1 423.495 -1.292 20 0 HAADMP N[C@H](CCC[NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394253 1072180046 /nfs/dbraw/zinc/18/00/46/1072180046.db2.gz MLPRSWHHRLWKBN-RRFJBIMHSA-N 2 1 408.528 -1.116 20 0 HAADMP N[C@@H](CCC[NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394256 1072180092 /nfs/dbraw/zinc/18/00/92/1072180092.db2.gz MLPRSWHHRLWKBN-SOUVJXGZSA-N 2 1 408.528 -1.116 20 0 HAADMP N[C@H]1C[NH2+][C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394350 1072180130 /nfs/dbraw/zinc/18/01/30/1072180130.db2.gz MTSBFFNGEIWNCQ-CBBWQLFWSA-N 2 1 406.512 -1.493 20 0 HAADMP N[C@@H]1C[NH2+][C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394381 1072180173 /nfs/dbraw/zinc/18/01/73/1072180173.db2.gz MTSBFFNGEIWNCQ-ZQDZILKHSA-N 2 1 406.512 -1.493 20 0 HAADMP O=C([C@@H]1C[NH2+]CCC1=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394987 1072180813 /nfs/dbraw/zinc/18/08/13/1072180813.db2.gz TXLYACFCHQFSCP-IJEWVQPXSA-N 2 1 419.507 -1.004 20 0 HAADMP O=C([C@H]1C[NH2+]CCC1=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394988 1072180760 /nfs/dbraw/zinc/18/07/60/1072180760.db2.gz TXLYACFCHQFSCP-OFQRWUPVSA-N 2 1 419.507 -1.004 20 0 HAADMP [NH3+]CCC[NH2+]CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457088 1072182479 /nfs/dbraw/zinc/18/24/79/1072182479.db2.gz DWOACXYCDHASIJ-RBSFLKMASA-N 2 1 402.517 -1.955 20 0 HAADMP [NH3+]CCC[NH2+]CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457089 1072182522 /nfs/dbraw/zinc/18/25/22/1072182522.db2.gz DWOACXYCDHASIJ-RRFJBIMHSA-N 2 1 402.517 -1.955 20 0 HAADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001159481460 1072184860 /nfs/dbraw/zinc/18/48/60/1072184860.db2.gz QFYDIIIOSVVAGP-NCLAMWEWSA-N 2 1 409.531 -1.099 20 0 HAADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CCC2 ZINC001159493390 1072185626 /nfs/dbraw/zinc/18/56/26/1072185626.db2.gz NMKUSRDXNIQMBC-ZFWWWQNUSA-N 2 1 408.503 -1.360 20 0 HAADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1nnn3c1C[NH2+]CC3)CC2 ZINC001159610477 1072188590 /nfs/dbraw/zinc/18/85/90/1072188590.db2.gz PHXYMCBILWSEKF-UHFFFAOYSA-N 2 1 404.519 -1.308 20 0 HAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)CC[C@@H]2C1 ZINC001159635688 1072189161 /nfs/dbraw/zinc/18/91/61/1072189161.db2.gz PSLZPASUTSZEQE-BZUAXINKSA-N 2 1 401.529 -1.041 20 0 HAADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)CC[C@@H]2C1 ZINC001159635688 1072189153 /nfs/dbraw/zinc/18/91/53/1072189153.db2.gz PSLZPASUTSZEQE-BZUAXINKSA-N 2 1 401.529 -1.041 20 0 HAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)CC[C@@H]2C1 ZINC001159635691 1072189267 /nfs/dbraw/zinc/18/92/67/1072189267.db2.gz PSLZPASUTSZEQE-OWCLPIDISA-N 2 1 401.529 -1.041 20 0 HAADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)CC[C@@H]2C1 ZINC001159635691 1072189263 /nfs/dbraw/zinc/18/92/63/1072189263.db2.gz PSLZPASUTSZEQE-OWCLPIDISA-N 2 1 401.529 -1.041 20 0 HAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[C@@H]2C1 ZINC001159636463 1072189968 /nfs/dbraw/zinc/18/99/68/1072189968.db2.gz SWROSGNLGRSWBO-ZJIFWQFVSA-N 2 1 413.519 -1.720 20 0 HAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667039 1072190564 /nfs/dbraw/zinc/19/05/64/1072190564.db2.gz RUSGYGONJNCGHD-HJWJTTGWSA-N 2 1 418.498 -1.409 20 0 HAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667045 1072190714 /nfs/dbraw/zinc/19/07/14/1072190714.db2.gz RUSGYGONJNCGHD-LLLHUVSDSA-N 2 1 418.498 -1.409 20 0 HAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667047 1072190553 /nfs/dbraw/zinc/19/05/53/1072190553.db2.gz RUSGYGONJNCGHD-ORQFMDKSSA-N 2 1 418.498 -1.409 20 0 HAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667049 1072190723 /nfs/dbraw/zinc/19/07/23/1072190723.db2.gz RUSGYGONJNCGHD-SVGFKBNWSA-N 2 1 418.498 -1.409 20 0 HAADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001159751100 1072192531 /nfs/dbraw/zinc/19/25/31/1072192531.db2.gz WPRXEEOCTRHQQA-ZIAGYGMSSA-N 2 1 407.475 -1.470 20 0 HAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001159929989 1072194293 /nfs/dbraw/zinc/19/42/93/1072194293.db2.gz NOHQSCGJISTYGS-NXOAAHMSSA-N 2 1 408.547 -1.322 20 0 HAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001159929989 1072194290 /nfs/dbraw/zinc/19/42/90/1072194290.db2.gz NOHQSCGJISTYGS-NXOAAHMSSA-N 2 1 408.547 -1.322 20 0 HAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001159930931 1072194333 /nfs/dbraw/zinc/19/43/33/1072194333.db2.gz ZGDHZCRMSLRWAW-UONOGXRCSA-N 2 1 411.507 -3.470 20 0 HAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001159930931 1072194331 /nfs/dbraw/zinc/19/43/31/1072194331.db2.gz ZGDHZCRMSLRWAW-UONOGXRCSA-N 2 1 411.507 -3.470 20 0 HAADMP C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159998158 1072195439 /nfs/dbraw/zinc/19/54/39/1072195439.db2.gz DOCVQLYSZWWOBM-RDJZCZTQSA-N 2 1 417.510 -1.196 20 0 HAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065092 1072196746 /nfs/dbraw/zinc/19/67/46/1072196746.db2.gz GCRLRLJHVFFGQU-JSGCOSHPSA-N 2 1 414.470 -1.378 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3C[NH2+]CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086051 1072197173 /nfs/dbraw/zinc/19/71/73/1072197173.db2.gz ADQDHAUPZWWLEK-XIDUGBJDSA-N 2 1 409.834 -1.512 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3CC[NH2+]C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086063 1072197446 /nfs/dbraw/zinc/19/74/46/1072197446.db2.gz AHSJHDLZQQONCL-XIDUGBJDSA-N 2 1 409.834 -1.512 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(N4CC[NH2+]CC4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086999 1072197969 /nfs/dbraw/zinc/19/79/69/1072197969.db2.gz OXQJVGRTGRYYKM-HMTTWLPMSA-N 2 1 404.431 -2.401 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3nccc(N4CCC([NH3+])CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087896 1072198540 /nfs/dbraw/zinc/19/85/40/1072198540.db2.gz GUQLLVLOZZWBIK-RAEVTNRLSA-N 2 1 418.458 -1.884 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cncc(N4CC[NH2+]CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088452 1072198912 /nfs/dbraw/zinc/19/89/12/1072198912.db2.gz ZEKMYHDUMBKZDB-HMTTWLPMSA-N 2 1 404.431 -2.401 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(N4CC[NH2+]CC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092490 1072199268 /nfs/dbraw/zinc/19/92/68/1072199268.db2.gz GKAZNQDRMAAWFR-BASLNEPJSA-N 2 1 403.443 -1.796 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(OC4CC[NH2+]CC4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092505 1072199303 /nfs/dbraw/zinc/19/93/03/1072199303.db2.gz HBYUOBJDIJYTLU-GAEVZRCVSA-N 2 1 419.442 -1.680 20 0 HAADMP C[N@H+]1CCc2nc(Cl)nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2C1 ZINC001160092575 1072199726 /nfs/dbraw/zinc/19/97/26/1072199726.db2.gz KEQBDRWTAUSPCD-BPGGGUHBSA-N 2 1 423.861 -1.170 20 0 HAADMP C[N@@H+]1CCc2nc(Cl)nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2C1 ZINC001160092575 1072199719 /nfs/dbraw/zinc/19/97/19/1072199719.db2.gz KEQBDRWTAUSPCD-BPGGGUHBSA-N 2 1 423.861 -1.170 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cccc(N4CCC([NH3+])CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092855 1072199770 /nfs/dbraw/zinc/19/97/70/1072199770.db2.gz NSEKYZNMKGNKMU-BDQAWRDZSA-N 2 1 417.470 -1.113 20 0 HAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155839 1072200742 /nfs/dbraw/zinc/20/07/42/1072200742.db2.gz MFIVMEIGRZSWFW-LLLHUVSDSA-N 2 1 407.515 -1.238 20 0 HAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156333 1072200946 /nfs/dbraw/zinc/20/09/46/1072200946.db2.gz PINZIUTUENNFRD-OKILXGFUSA-N 2 1 410.475 -3.385 20 0 HAADMP Cc1cc[nH+]c(N2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)c1 ZINC001160603323 1072210145 /nfs/dbraw/zinc/21/01/45/1072210145.db2.gz VVIHUJXDSCJZCM-UHFFFAOYSA-N 2 1 405.459 -2.654 20 0 HAADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001160627663 1072210584 /nfs/dbraw/zinc/21/05/84/1072210584.db2.gz FXQOPPATLUDFIJ-UHFFFAOYSA-N 2 1 415.539 -2.974 20 0 HAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160825592 1072215813 /nfs/dbraw/zinc/21/58/13/1072215813.db2.gz DTFYEXOKAGRYEJ-ZFWWWQNUSA-N 2 1 403.487 -1.233 20 0 HAADMP Nc1ccc[nH+]c1N1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160826347 1072215670 /nfs/dbraw/zinc/21/56/70/1072215670.db2.gz WNIZJRNDEZHWIB-UHFFFAOYSA-N 2 1 406.447 -3.380 20 0 HAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160838598 1072215855 /nfs/dbraw/zinc/21/58/55/1072215855.db2.gz KPLNMXHTQPFTDF-UHFFFAOYSA-N 2 1 411.532 -1.054 20 0 HAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122561 1072218925 /nfs/dbraw/zinc/21/89/25/1072218925.db2.gz ANUADGNKXBHOHN-QPSCCSFWSA-N 2 1 400.474 -1.582 20 0 HAADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122946 1072219594 /nfs/dbraw/zinc/21/95/94/1072219594.db2.gz MKBCFFMMTNPRKY-JYJNAYRXSA-N 2 1 415.485 -1.205 20 0 HAADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122947 1072219629 /nfs/dbraw/zinc/21/96/29/1072219629.db2.gz MKBCFFMMTNPRKY-XHSDSOJGSA-N 2 1 415.485 -1.205 20 0 HAADMP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124409 1072219518 /nfs/dbraw/zinc/21/95/18/1072219518.db2.gz VTCCMGMDJADQFK-KKUMJFAQSA-N 2 1 401.458 -1.283 20 0 HAADMP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)c2nonc21 ZINC001161153676 1072220076 /nfs/dbraw/zinc/22/00/76/1072220076.db2.gz NJWGFSXWMFQLIY-NSHDSACASA-N 2 1 411.488 -1.202 20 0 HAADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161160790 1072220578 /nfs/dbraw/zinc/22/05/78/1072220578.db2.gz GMUNWXFNMNXDKU-UHFFFAOYSA-N 2 1 406.487 -2.116 20 0 HAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196620 1072220869 /nfs/dbraw/zinc/22/08/69/1072220869.db2.gz PBVRGUQHMWSEOO-UHFFFAOYSA-N 3 1 419.592 -1.243 20 0 HAADMP O=C(CNC(=O)[C@@H]1CCC(=O)N1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198006 1072220764 /nfs/dbraw/zinc/22/07/64/1072220764.db2.gz JEJSALJCZUVUAL-KRWDZBQOSA-N 2 1 409.531 -1.068 20 0 HAADMP CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379806 1072222979 /nfs/dbraw/zinc/22/29/79/1072222979.db2.gz QRGWSDCRFFJDPM-AYMQEEERSA-N 2 1 424.546 -1.456 20 0 HAADMP CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379811 1072223025 /nfs/dbraw/zinc/22/30/25/1072223025.db2.gz QRGWSDCRFFJDPM-WSMBLCCSSA-N 2 1 424.546 -1.456 20 0 HAADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[N@H+]2CC[C@@H]2C1)C(=O)CF ZINC001161423446 1072223737 /nfs/dbraw/zinc/22/37/37/1072223737.db2.gz ANCVZGDODKBIME-LOUJCGABSA-N 2 1 413.494 -1.196 20 0 HAADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[N@@H+]2CC[C@@H]2C1)C(=O)CF ZINC001161423446 1072223730 /nfs/dbraw/zinc/22/37/30/1072223730.db2.gz ANCVZGDODKBIME-LOUJCGABSA-N 2 1 413.494 -1.196 20 0 HAADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[N@H+]2CC[C@H]2C1)C(=O)CF ZINC001161423447 1072223616 /nfs/dbraw/zinc/22/36/16/1072223616.db2.gz ANCVZGDODKBIME-WSMBLCCSSA-N 2 1 413.494 -1.196 20 0 HAADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[N@@H+]2CC[C@H]2C1)C(=O)CF ZINC001161423447 1072223605 /nfs/dbraw/zinc/22/36/05/1072223605.db2.gz ANCVZGDODKBIME-WSMBLCCSSA-N 2 1 413.494 -1.196 20 0 HAADMP C[NH+](C)CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161449510 1072223565 /nfs/dbraw/zinc/22/35/65/1072223565.db2.gz NGMJLOVRUNGKQF-NEWSRXKRSA-N 2 1 421.542 -1.119 20 0 HAADMP C[NH+](C)CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1CCC[NH2+]C1 ZINC001161449511 1072223769 /nfs/dbraw/zinc/22/37/69/1072223769.db2.gz NGMJLOVRUNGKQF-WDSOQIARSA-N 2 1 421.542 -1.119 20 0 HAADMP CC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C[C@H]2C(=O)N(C)C ZINC001161508382 1072225195 /nfs/dbraw/zinc/22/51/95/1072225195.db2.gz ZELJQFATXOULIT-DLBZAZTESA-N 2 1 421.542 -1.166 20 0 HAADMP CC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C[C@@H]2C(=O)N(C)C ZINC001161508389 1072225279 /nfs/dbraw/zinc/22/52/79/1072225279.db2.gz ZELJQFATXOULIT-IAGOWNOFSA-N 2 1 421.542 -1.166 20 0 HAADMP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C[C@H]2C(=O)N(C)C ZINC001161508391 1072225106 /nfs/dbraw/zinc/22/51/06/1072225106.db2.gz ZELJQFATXOULIT-IRXDYDNUSA-N 2 1 421.542 -1.166 20 0 HAADMP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C[C@@H]2C(=O)N(C)C ZINC001161508393 1072224999 /nfs/dbraw/zinc/22/49/99/1072224999.db2.gz ZELJQFATXOULIT-SJORKVTESA-N 2 1 421.542 -1.166 20 0 HAADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc1N)C2 ZINC001169098407 1071677444 /nfs/dbraw/zinc/67/74/44/1071677444.db2.gz HPEZEORMUKKNGT-FDXWHZBHSA-N 2 1 405.459 -1.449 20 0 HAADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc1N)C2 ZINC001169098408 1071677430 /nfs/dbraw/zinc/67/74/30/1071677430.db2.gz HPEZEORMUKKNGT-IFVSATFSSA-N 2 1 405.459 -1.449 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccnc(N4CC[NH2+]CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260525 1071764452 /nfs/dbraw/zinc/76/44/52/1071764452.db2.gz CDSIGJZFUKVZFV-JUDXGUMMSA-N 2 1 404.431 -2.236 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3nccnc3N3CC[NH2+]CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260609 1071764487 /nfs/dbraw/zinc/76/44/87/1071764487.db2.gz DZXZJTNMUNXZPF-XNIJJKJLSA-N 2 1 404.431 -2.401 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3nccc(N4CC[NH2+]CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261773 1071764202 /nfs/dbraw/zinc/76/42/02/1071764202.db2.gz RSMOIVFCYGZCHX-JUDXGUMMSA-N 2 1 404.431 -2.401 20 0 HAADMP Cc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001171261843 1071764835 /nfs/dbraw/zinc/76/48/35/1071764835.db2.gz BJUQDXVGVZYRDL-CGHXNFDQSA-N 2 1 417.470 -1.036 20 0 HAADMP Cc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc([C@H]2CCC[NH2+]C2)n1 ZINC001171261844 1071764945 /nfs/dbraw/zinc/76/49/45/1071764945.db2.gz BJUQDXVGVZYRDL-HFQCNWJOSA-N 2 1 417.470 -1.036 20 0 HAADMP COC(OC)c1c(C[NH3+])ccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261894 1071765062 /nfs/dbraw/zinc/76/50/62/1071765062.db2.gz DSOVAELWGKBUNQ-DSPGLSBSSA-N 2 1 422.442 -1.456 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cncc(N4CCC([NH3+])CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262388 1071765578 /nfs/dbraw/zinc/76/55/78/1071765578.db2.gz LYRWZSMPRFPZMK-GAEVZRCVSA-N 2 1 418.458 -1.884 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ncccc3N3CC[NH2+]CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262438 1071765542 /nfs/dbraw/zinc/76/55/42/1071765542.db2.gz MHURLETXMCOONZ-DNNBLBMLSA-N 2 1 403.443 -1.796 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(O[C@H]4CCC[NH2+]C4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263232 1071766185 /nfs/dbraw/zinc/76/61/85/1071766185.db2.gz WXJXEWPJZFLBHD-NHNREYNESA-N 2 1 419.442 -1.680 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(O[C@@H]4CCC[NH2+]C4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263236 1071766336 /nfs/dbraw/zinc/76/63/36/1071766336.db2.gz WXJXEWPJZFLBHD-OLPNMNBUSA-N 2 1 419.442 -1.680 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3CC[NH2+]CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263263 1071766386 /nfs/dbraw/zinc/76/63/86/1071766386.db2.gz XGFVLWSUOZJXKI-BPGGGUHBSA-N 2 1 423.861 -1.469 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccnc(N4CCC([NH3+])CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263299 1071766277 /nfs/dbraw/zinc/76/62/77/1071766277.db2.gz YCIJMALUBLMGGI-RAEVTNRLSA-N 2 1 418.458 -1.718 20 0 HAADMP CSc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc(C2C[NH2+]C2)n1 ZINC001171263361 1071766801 /nfs/dbraw/zinc/76/68/01/1071766801.db2.gz ZJJJILMZZZXOPD-JUDXGUMMSA-N 2 1 421.483 -1.402 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ncc(F)c(C4CC[NH2+]CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263400 1071766712 /nfs/dbraw/zinc/76/67/12/1071766712.db2.gz ZTDIRVGWOMEIQX-UIBBOPPKSA-N 2 1 421.433 -1.205 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc(N4CCOCC4)cc[nH+]3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263402 1071767114 /nfs/dbraw/zinc/76/71/14/1071767114.db2.gz ZXCFVEIYYDIPAM-BASLNEPJSA-N 2 1 404.427 -1.369 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc[nH+]c(N4CCOCC4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263610 1071766367 /nfs/dbraw/zinc/76/63/67/1071766367.db2.gz SIHKQWQRDXVWFX-BASLNEPJSA-N 2 1 404.427 -1.369 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(C5C[NH2+]C5)ncn4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263886 1071767179 /nfs/dbraw/zinc/76/71/79/1071767179.db2.gz VXFSRJZOCMANRI-MOIQIXESSA-N 2 1 413.438 -1.267 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(N4CC[NH2+]CC4)nc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263905 1071767023 /nfs/dbraw/zinc/76/70/23/1071767023.db2.gz WJUYNGWSZFAQPQ-BASLNEPJSA-N 2 1 403.443 -1.796 20 0 HAADMP COc1c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncnc1C1C[NH2+]C1 ZINC001171263983 1071766757 /nfs/dbraw/zinc/76/67/57/1071766757.db2.gz YHPNAXTWADHRCR-NZLORHDLSA-N 2 1 405.415 -2.116 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3c[nH+]ccc3N3CCOCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264403 1071766825 /nfs/dbraw/zinc/76/68/25/1071766825.db2.gz DRXJQCLCGVVYQH-MWQQHZPXSA-N 2 1 404.427 -1.369 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(CN4CC[NH2+]CC4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264514 1071767746 /nfs/dbraw/zinc/76/77/46/1071767746.db2.gz KEXQBLFJKYASJU-NXWXRZEISA-N 2 1 416.482 -1.030 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cnc(O[C@@H]4CC[NH2+]C4)nc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264719 1071768442 /nfs/dbraw/zinc/76/84/42/1071768442.db2.gz TZTADECVWPXHDH-OKNSCYNVSA-N 2 1 405.415 -2.070 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cnc(O[C@H]4CC[NH2+]C4)nc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264720 1071768071 /nfs/dbraw/zinc/76/80/71/1071768071.db2.gz TZTADECVWPXHDH-PWRGDLIESA-N 2 1 405.415 -2.070 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cccc(N4CC[NH2+]CC4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266211 1071768429 /nfs/dbraw/zinc/76/84/29/1071768429.db2.gz FOPCVONPXRYXFV-VDHUWJSZSA-N 2 1 402.455 -1.191 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(c3)COC43C[NH2+]C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266377 1071768325 /nfs/dbraw/zinc/76/83/25/1071768325.db2.gz HJBLIMCQQDCDHE-MWQQHZPXSA-N 2 1 401.423 -1.107 20 0 HAADMP C[NH+]1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2)CC1 ZINC001171266410 1071768856 /nfs/dbraw/zinc/76/88/56/1071768856.db2.gz IHFJHWIKMAHEFP-BNEJOLLZSA-N 2 1 417.470 -1.454 20 0 HAADMP [NH3+][C@@H]1CCN(Cc2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2)C1 ZINC001171267376 1071768996 /nfs/dbraw/zinc/76/89/96/1071768996.db2.gz YGAKSPNKTQCZHD-UGNAIYESSA-N 2 1 416.482 -1.068 20 0 HAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc1N)C2 ZINC001172104881 1071779839 /nfs/dbraw/zinc/77/98/39/1071779839.db2.gz GPEHJFSQJFLHSH-WTPPAEOJSA-N 2 1 419.486 -1.059 20 0 HAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc1N)C2 ZINC001172104887 1071779807 /nfs/dbraw/zinc/77/98/07/1071779807.db2.gz GPEHJFSQJFLHSH-ZXRQFABESA-N 2 1 419.486 -1.059 20 0 HAADMP CC(C)[N@H+]1CC[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001181981292 1071810692 /nfs/dbraw/zinc/81/06/92/1071810692.db2.gz BIOGLEDNMFYGLS-JISVWNMTSA-N 2 1 421.458 -1.876 20 0 HAADMP CC(C)[N@H+]1CC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001181981306 1071810640 /nfs/dbraw/zinc/81/06/40/1071810640.db2.gz BIOGLEDNMFYGLS-ZOKLZRJQSA-N 2 1 421.458 -1.876 20 0 HAADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C12CCC[NH+]1CCC2 ZINC001183558293 1071821579 /nfs/dbraw/zinc/82/15/79/1071821579.db2.gz AXFSQUNBCDSGEX-NDLNZWKESA-N 2 1 419.442 -1.978 20 0 HAADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[N@H+]2CC[C@@H](O)C2)c2nonc21 ZINC001186055110 1071835678 /nfs/dbraw/zinc/83/56/78/1071835678.db2.gz KUOFRJIZQNQJAX-LLVKDONJSA-N 2 1 412.472 -1.169 20 0 HAADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[N@@H+]2CC[C@@H](O)C2)c2nonc21 ZINC001186055110 1071835668 /nfs/dbraw/zinc/83/56/68/1071835668.db2.gz KUOFRJIZQNQJAX-LLVKDONJSA-N 2 1 412.472 -1.169 20 0 HAADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[N@H+]2CC[C@H](O)C2)c2nonc21 ZINC001186055117 1071835851 /nfs/dbraw/zinc/83/58/51/1071835851.db2.gz KUOFRJIZQNQJAX-NSHDSACASA-N 2 1 412.472 -1.169 20 0 HAADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[N@@H+]2CC[C@H](O)C2)c2nonc21 ZINC001186055117 1071835839 /nfs/dbraw/zinc/83/58/39/1071835839.db2.gz KUOFRJIZQNQJAX-NSHDSACASA-N 2 1 412.472 -1.169 20 0 HAADMP C[N@H+]1CCC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001186362989 1071837171 /nfs/dbraw/zinc/83/71/71/1071837171.db2.gz YXHNOFBJFURZGY-GBPQWNHNSA-N 2 1 407.431 -2.265 20 0 HAADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC[C@@H]2C1 ZINC001209271674 1072239188 /nfs/dbraw/zinc/23/91/88/1072239188.db2.gz CCLGVEPETWGROJ-ZQOJQMTGSA-N 2 1 415.531 -1.029 20 0 HAADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC[C@@H]2C1 ZINC001209271674 1072239180 /nfs/dbraw/zinc/23/91/80/1072239180.db2.gz CCLGVEPETWGROJ-ZQOJQMTGSA-N 2 1 415.531 -1.029 20 0 HAADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC[C@@H]2C1 ZINC001209271674 1072239174 /nfs/dbraw/zinc/23/91/74/1072239174.db2.gz CCLGVEPETWGROJ-ZQOJQMTGSA-N 2 1 415.531 -1.029 20 0 HAADMP C[NH+]1CCN(c2ncccc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001218555969 1072244689 /nfs/dbraw/zinc/24/46/89/1072244689.db2.gz ODAWYIBUXAQILL-UHFFFAOYSA-N 2 1 420.474 -2.921 20 0 HAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001218572673 1072244523 /nfs/dbraw/zinc/24/45/23/1072244523.db2.gz LSDBOHOLVKZSOB-KBPBESRZSA-N 2 1 418.502 -1.379 20 0 HAADMP C[NH+]1CCN(c2cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ncn2)CC1 ZINC001218573115 1072244638 /nfs/dbraw/zinc/24/46/38/1072244638.db2.gz SHUZEUHSFAYVCH-UHFFFAOYSA-N 2 1 421.462 -3.526 20 0 HAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001218579284 1072244816 /nfs/dbraw/zinc/24/48/16/1072244816.db2.gz BLVQOWORIKESEG-ZFWWWQNUSA-N 2 1 418.502 -1.379 20 0 HAADMP C[NH+]1CCN(c2ncc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cn2)CC1 ZINC001218580957 1072245120 /nfs/dbraw/zinc/24/51/20/1072245120.db2.gz YUOSJUSTTPPQJA-UHFFFAOYSA-N 2 1 421.462 -3.526 20 0 HAADMP Nc1ncn(C(=O)[C@@H](N)CSCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777174 1072249547 /nfs/dbraw/zinc/24/95/47/1072249547.db2.gz DVCVPTDYHAUHCQ-DCAQKATOSA-N 2 1 403.940 -1.351 20 0 HAADMP Nc1ncn(C(=O)[C@@H](N)CSCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777179 1072249591 /nfs/dbraw/zinc/24/95/91/1072249591.db2.gz DVCVPTDYHAUHCQ-GARJFASQSA-N 2 1 403.940 -1.351 20 0 HAADMP Nc1ncn(C(=O)[C@@H](N)CSCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777181 1072249599 /nfs/dbraw/zinc/24/95/99/1072249599.db2.gz DVCVPTDYHAUHCQ-OUAUKWLOSA-N 2 1 403.940 -1.351 20 0 HAADMP Nc1ncn(C(=O)[C@@H](N)CSCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777182 1072250090 /nfs/dbraw/zinc/25/00/90/1072250090.db2.gz DVCVPTDYHAUHCQ-VWYCJHECSA-N 2 1 403.940 -1.351 20 0 HAADMP Nc1ncn(C(=O)c2cc3n(n2)CC[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780292 1072251258 /nfs/dbraw/zinc/25/12/58/1072251258.db2.gz DOMPDMLBKZFOSC-GWCFXTLKSA-N 2 1 406.878 -1.022 20 0 HAADMP Nc1ncn(C(=O)c2cc3n(n2)CC[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780294 1072251360 /nfs/dbraw/zinc/25/13/60/1072251360.db2.gz DOMPDMLBKZFOSC-GXFFZTMASA-N 2 1 406.878 -1.022 20 0 HAADMP Nc1ncn(C(=O)c2cc3n(n2)CC[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780296 1072251235 /nfs/dbraw/zinc/25/12/35/1072251235.db2.gz DOMPDMLBKZFOSC-MFKMUULPSA-N 2 1 406.878 -1.022 20 0 HAADMP Nc1ncn(C(=O)c2cc3n(n2)CC[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780298 1072251392 /nfs/dbraw/zinc/25/13/92/1072251392.db2.gz DOMPDMLBKZFOSC-ZWNOBZJWSA-N 2 1 406.878 -1.022 20 0 HAADMP Nc1ncn(C(=O)c2cnn3c2C[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781704 1072251882 /nfs/dbraw/zinc/25/18/82/1072251882.db2.gz ISGQHZDFWPSINO-GWCFXTLKSA-N 2 1 406.878 -1.022 20 0 HAADMP Nc1ncn(C(=O)c2cnn3c2C[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781706 1072251911 /nfs/dbraw/zinc/25/19/11/1072251911.db2.gz ISGQHZDFWPSINO-GXFFZTMASA-N 2 1 406.878 -1.022 20 0 HAADMP Nc1ncn(C(=O)c2cnn3c2C[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781709 1072251897 /nfs/dbraw/zinc/25/18/97/1072251897.db2.gz ISGQHZDFWPSINO-MFKMUULPSA-N 2 1 406.878 -1.022 20 0 HAADMP Nc1ncn(C(=O)c2cnn3c2C[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781711 1072251765 /nfs/dbraw/zinc/25/17/65/1072251765.db2.gz ISGQHZDFWPSINO-ZWNOBZJWSA-N 2 1 406.878 -1.022 20 0 HAADMP COC(=O)[C@@H]([NH3+])CCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218783420 1072251923 /nfs/dbraw/zinc/25/19/23/1072251923.db2.gz XIORSMTXJJWFKS-DCAQKATOSA-N 2 1 400.867 -1.090 20 0 HAADMP COC(=O)[C@@H]([NH3+])CCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218783422 1072251842 /nfs/dbraw/zinc/25/18/42/1072251842.db2.gz XIORSMTXJJWFKS-GARJFASQSA-N 2 1 400.867 -1.090 20 0 HAADMP COC(=O)[C@@H]([NH3+])CCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218783424 1072251815 /nfs/dbraw/zinc/25/18/15/1072251815.db2.gz XIORSMTXJJWFKS-OUAUKWLOSA-N 2 1 400.867 -1.090 20 0 HAADMP COC(=O)[C@@H]([NH3+])CCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218783426 1072251858 /nfs/dbraw/zinc/25/18/58/1072251858.db2.gz XIORSMTXJJWFKS-VWYCJHECSA-N 2 1 400.867 -1.090 20 0 HAADMP Nc1ncn(C(=O)c2nnn3c2C[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785278 1072252387 /nfs/dbraw/zinc/25/23/87/1072252387.db2.gz SDQULHCTCLJCRY-GXSJLCMTSA-N 2 1 407.866 -1.627 20 0 HAADMP Nc1ncn(C(=O)c2nnn3c2C[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785282 1072252280 /nfs/dbraw/zinc/25/22/80/1072252280.db2.gz SDQULHCTCLJCRY-KOLCDFICSA-N 2 1 407.866 -1.627 20 0 HAADMP Nc1ncn(C(=O)c2nnn3c2C[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785284 1072252477 /nfs/dbraw/zinc/25/24/77/1072252477.db2.gz SDQULHCTCLJCRY-MWLCHTKSSA-N 2 1 407.866 -1.627 20 0 HAADMP Nc1ncn(C(=O)c2nnn3c2C[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785286 1072252403 /nfs/dbraw/zinc/25/24/03/1072252403.db2.gz SDQULHCTCLJCRY-ONGXEEELSA-N 2 1 407.866 -1.627 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219676279 1072257325 /nfs/dbraw/zinc/25/73/25/1072257325.db2.gz DORKKMCQXRLCRP-KBXCAEBGSA-N 2 1 407.496 -1.553 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219676280 1072257099 /nfs/dbraw/zinc/25/70/99/1072257099.db2.gz DORKKMCQXRLCRP-KDOFPFPSSA-N 2 1 407.496 -1.553 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219676281 1072257297 /nfs/dbraw/zinc/25/72/97/1072257297.db2.gz DORKKMCQXRLCRP-KSSFIOAISA-N 2 1 407.496 -1.553 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219676282 1072257310 /nfs/dbraw/zinc/25/73/10/1072257310.db2.gz DORKKMCQXRLCRP-RDTXWAMCSA-N 2 1 407.496 -1.553 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219676297 1072257977 /nfs/dbraw/zinc/25/79/77/1072257977.db2.gz FAHLSOVUYABEGW-CYBMUJFWSA-N 2 1 408.546 -2.248 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219676298 1072257942 /nfs/dbraw/zinc/25/79/42/1072257942.db2.gz FAHLSOVUYABEGW-ZDUSSCGKSA-N 2 1 408.546 -2.248 20 0 HAADMP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676417 1072257869 /nfs/dbraw/zinc/25/78/69/1072257869.db2.gz JSCHDGYUKBJQBV-ZDUSSCGKSA-N 2 1 413.504 -2.335 20 0 HAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678406 1072257906 /nfs/dbraw/zinc/25/79/06/1072257906.db2.gz NKBVRKHMMSTSIQ-GJZGRUSLSA-N 3 1 418.564 -2.215 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219680310 1072258448 /nfs/dbraw/zinc/25/84/48/1072258448.db2.gz BTUWJFNXUZCORY-CVEARBPZSA-N 2 1 407.496 -1.550 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219680311 1072258440 /nfs/dbraw/zinc/25/84/40/1072258440.db2.gz BTUWJFNXUZCORY-HOTGVXAUSA-N 2 1 407.496 -1.550 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001219680312 1072258467 /nfs/dbraw/zinc/25/84/67/1072258467.db2.gz BTUWJFNXUZCORY-HZPDHXFCSA-N 2 1 407.496 -1.550 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001219680313 1072258607 /nfs/dbraw/zinc/25/86/07/1072258607.db2.gz BTUWJFNXUZCORY-JKSUJKDBSA-N 2 1 407.496 -1.550 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001219683263 1072258558 /nfs/dbraw/zinc/25/85/58/1072258558.db2.gz VZTINRUQOBEPAP-HNNXBMFYSA-N 2 1 423.499 -1.645 20 0 HAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001219683264 1072258537 /nfs/dbraw/zinc/25/85/37/1072258537.db2.gz VZTINRUQOBEPAP-OAHLLOKOSA-N 2 1 423.499 -1.645 20 0 HAADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766130 1072259107 /nfs/dbraw/zinc/25/91/07/1072259107.db2.gz MPASFWFCJPRMFU-OWSLCNJRSA-N 2 1 422.574 -1.205 20 0 HAADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766130 1072259098 /nfs/dbraw/zinc/25/90/98/1072259098.db2.gz MPASFWFCJPRMFU-OWSLCNJRSA-N 2 1 422.574 -1.205 20 0 HAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796133 1072259838 /nfs/dbraw/zinc/25/98/38/1072259838.db2.gz NPOMVAXQYTWWNN-YOEHRIQHSA-N 2 1 408.547 -1.227 20 0 HAADMP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219803220 1072259897 /nfs/dbraw/zinc/25/98/97/1072259897.db2.gz NXJPJFKPULSTQC-AWEZNQCLSA-N 2 1 414.470 -1.320 20 0 HAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219805615 1072259665 /nfs/dbraw/zinc/25/96/65/1072259665.db2.gz APQWZTBZCJEJFO-AWEZNQCLSA-N 2 1 409.512 -1.233 20 0 HAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219805616 1072259655 /nfs/dbraw/zinc/25/96/55/1072259655.db2.gz APQWZTBZCJEJFO-CQSZACIVSA-N 2 1 409.512 -1.233 20 0 HAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806076 1072259689 /nfs/dbraw/zinc/25/96/89/1072259689.db2.gz IZRVFQYZSIPAFC-HOTGVXAUSA-N 3 1 419.530 -1.200 20 0 HAADMP COC(=O)[C@]1(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC001220228327 1072265202 /nfs/dbraw/zinc/26/52/02/1072265202.db2.gz JDMMOJIIIHOXAW-KPHUOKFYSA-N 2 1 419.482 -1.372 20 0 HAADMP COC(=O)[C@@]1(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC001220228328 1072265154 /nfs/dbraw/zinc/26/51/54/1072265154.db2.gz JDMMOJIIIHOXAW-ZQGRQUNCSA-N 2 1 419.482 -1.372 20 0 HAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429414 1072266976 /nfs/dbraw/zinc/26/69/76/1072266976.db2.gz RCAMRKMVZINADE-QVDMIQRCSA-N 2 1 416.482 -2.460 20 0 HAADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506840 1072268335 /nfs/dbraw/zinc/26/83/35/1072268335.db2.gz QADNSQQTADDULU-AAQOISQYSA-N 3 1 401.552 -1.029 20 0 HAADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506841 1072268353 /nfs/dbraw/zinc/26/83/53/1072268353.db2.gz QADNSQQTADDULU-DISWMANOSA-N 3 1 401.552 -1.029 20 0 HAADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506842 1072268464 /nfs/dbraw/zinc/26/84/64/1072268464.db2.gz QADNSQQTADDULU-GAFCNROLSA-N 3 1 401.552 -1.029 20 0 HAADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506843 1072268501 /nfs/dbraw/zinc/26/85/01/1072268501.db2.gz QADNSQQTADDULU-JPWZUXQISA-N 3 1 401.552 -1.029 20 0 HAADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506844 1072268398 /nfs/dbraw/zinc/26/83/98/1072268398.db2.gz QADNSQQTADDULU-JXVUMFGISA-N 3 1 401.552 -1.029 20 0 HAADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506845 1072268597 /nfs/dbraw/zinc/26/85/97/1072268597.db2.gz QADNSQQTADDULU-UYBGIQSRSA-N 3 1 401.552 -1.029 20 0 HAADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506846 1072268542 /nfs/dbraw/zinc/26/85/42/1072268542.db2.gz QADNSQQTADDULU-WWKLNKTQSA-N 3 1 401.552 -1.029 20 0 HAADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506847 1072268569 /nfs/dbraw/zinc/26/85/69/1072268569.db2.gz QADNSQQTADDULU-ZDXZYRICSA-N 3 1 401.552 -1.029 20 0 HAADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)CN)[C@H](O)OC(C)(C)C)C1 ZINC001220507073 1072268370 /nfs/dbraw/zinc/26/83/70/1072268370.db2.gz RVWGOQHGBHAERI-AVVLXZEZSA-N 2 1 403.524 -1.643 20 0 HAADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)CN)[C@@H](O)OC(C)(C)C)C1 ZINC001220507074 1072268617 /nfs/dbraw/zinc/26/86/17/1072268617.db2.gz RVWGOQHGBHAERI-HLNSEHPISA-N 2 1 403.524 -1.643 20 0 HAADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)CN)[C@@H](O)OC(C)(C)C)C1 ZINC001220507075 1072268440 /nfs/dbraw/zinc/26/84/40/1072268440.db2.gz RVWGOQHGBHAERI-NTLKJNNPSA-N 2 1 403.524 -1.643 20 0 HAADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)CN)[C@H](O)OC(C)(C)C)C1 ZINC001220507076 1072268326 /nfs/dbraw/zinc/26/83/26/1072268326.db2.gz RVWGOQHGBHAERI-UCQBOQSVSA-N 2 1 403.524 -1.643 20 0 HAADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571505 1072271113 /nfs/dbraw/zinc/27/11/13/1072271113.db2.gz SKUUBNQNTZFFBG-HOTGVXAUSA-N 2 1 409.531 -1.166 20 0 HAADMP CC(=O)OC[C@H]([NH3+])C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748731 1072272095 /nfs/dbraw/zinc/27/20/95/1072272095.db2.gz MHVPLCKGRSNFCW-JTQLQIEISA-N 2 1 414.444 -1.345 20 0 HAADMP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874659 1072273160 /nfs/dbraw/zinc/27/31/60/1072273160.db2.gz KSHRIHKACPORJB-STQMWFEESA-N 2 1 405.590 -1.147 20 0 HAADMP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874915 1072273117 /nfs/dbraw/zinc/27/31/17/1072273117.db2.gz QWRCPAVERMRAAA-JYJNAYRXSA-N 2 1 424.546 -1.597 20 0 HAADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCCN1CC[NH2+]CC1=O ZINC001220875263 1072273620 /nfs/dbraw/zinc/27/36/20/1072273620.db2.gz ZUSHJENLWACQEM-GJZGRUSLSA-N 2 1 410.519 -2.067 20 0 HAADMP O=C(NCCN1CC[NH2+]CC1=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001220876178 1072273675 /nfs/dbraw/zinc/27/36/75/1072273675.db2.gz GNDOGJZUZZGORR-UHFFFAOYSA-N 2 1 409.512 -1.122 20 0 HAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220914825 1072273921 /nfs/dbraw/zinc/27/39/21/1072273921.db2.gz BOAUIZNQZMYMNV-AWEZNQCLSA-N 2 1 405.459 -2.921 20 0 HAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220914825 1072273912 /nfs/dbraw/zinc/27/39/12/1072273912.db2.gz BOAUIZNQZMYMNV-AWEZNQCLSA-N 2 1 405.459 -2.921 20 0 HAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220916813 1072273638 /nfs/dbraw/zinc/27/36/38/1072273638.db2.gz BVADQQLDHUTIHQ-HNNXBMFYSA-N 2 1 410.519 -1.936 20 0 HAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221062831 1072276258 /nfs/dbraw/zinc/27/62/58/1072276258.db2.gz BNHZHCMWACSIMA-INIZCTEOSA-N 2 1 418.498 -1.926 20 0 HAADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](C)C1)C(=O)CF ZINC001221253978 1072277508 /nfs/dbraw/zinc/27/75/08/1072277508.db2.gz DGSHALNCRGXEKF-WSMBLCCSSA-N 2 1 415.510 -1.044 20 0 HAADMP [NH3+][C@@H]1NCN(C(=O)[C@H](c2cccc(Br)c2)N2CC[NH2+]CC2)[C@H]2NCN[C@H]21 ZINC001221264934 1072277578 /nfs/dbraw/zinc/27/75/78/1072277578.db2.gz CTNAUJDNPPRCDE-CAOSSQGBSA-N 2 1 424.347 -1.086 20 0 HAADMP [NH3+][C@@H]1NCN(C(=O)[C@H](c2cccc(Br)c2)N2CC[NH2+]CC2)[C@@H]2NCN[C@H]21 ZINC001221264935 1072277630 /nfs/dbraw/zinc/27/76/30/1072277630.db2.gz CTNAUJDNPPRCDE-JONQDZQNSA-N 2 1 424.347 -1.086 20 0 HAADMP [NH3+][C@@H]1NCN(C(=O)[C@H](c2cccc(Br)c2)N2CC[NH2+]CC2)[C@H]2NCN[C@@H]21 ZINC001221264936 1072277668 /nfs/dbraw/zinc/27/76/68/1072277668.db2.gz CTNAUJDNPPRCDE-QKPAOTATSA-N 2 1 424.347 -1.086 20 0 HAADMP [NH3+][C@@H]1NCN(C(=O)[C@H](c2cccc(Br)c2)N2CC[NH2+]CC2)[C@@H]2NCN[C@@H]21 ZINC001221264937 1072277381 /nfs/dbraw/zinc/27/73/81/1072277381.db2.gz CTNAUJDNPPRCDE-QXSJWSMHSA-N 2 1 424.347 -1.086 20 0 HAADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348844 1072279666 /nfs/dbraw/zinc/27/96/66/1072279666.db2.gz OIJNYFZYQOJRON-JYJNAYRXSA-N 2 1 407.519 -1.028 20 0 HAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221349232 1072280757 /nfs/dbraw/zinc/28/07/57/1072280757.db2.gz UHKOMAGAPRYGAH-CTYUOQFJSA-N 2 1 403.487 -1.888 20 0 HAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221349547 1072280947 /nfs/dbraw/zinc/28/09/47/1072280947.db2.gz YRJOKYQBTFLADP-JYJNAYRXSA-N 2 1 417.514 -1.213 20 0 HAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221349550 1072280914 /nfs/dbraw/zinc/28/09/14/1072280914.db2.gz YRJOKYQBTFLADP-PMPSAXMXSA-N 2 1 417.514 -1.213 20 0 HAADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001221356977 1072281576 /nfs/dbraw/zinc/28/15/76/1072281576.db2.gz FBDDQUHTQQAGLF-CYBMUJFWSA-N 2 1 414.507 -2.843 20 0 HAADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001221356981 1072281349 /nfs/dbraw/zinc/28/13/49/1072281349.db2.gz FBDDQUHTQQAGLF-ZDUSSCGKSA-N 2 1 414.507 -2.843 20 0 HAADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](CC[C@H]3C[NH2+]CCO3)C[C@@H]21)N1CCOCC1 ZINC001235550592 1072290254 /nfs/dbraw/zinc/29/02/54/1072290254.db2.gz OYMCYBKJGALEKS-MWDXBVQZSA-N 2 1 401.529 -1.041 20 0 HAADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](CC[C@@H]3C[NH2+]CCO3)C[C@@H]21)N1CCOCC1 ZINC001235550595 1072290173 /nfs/dbraw/zinc/29/01/73/1072290173.db2.gz OYMCYBKJGALEKS-QBPKDAKJSA-N 2 1 401.529 -1.041 20 0 HAADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](CC[C@H]3C[NH2+]CCO3)C[C@@H]21)N1CCOCC1 ZINC001235550596 1072290186 /nfs/dbraw/zinc/29/01/86/1072290186.db2.gz OYMCYBKJGALEKS-YLFCFFPRSA-N 2 1 401.529 -1.041 20 0 HAADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](CC[C@@H]3C[NH2+]CCO3)C[C@@H]21)N1CCOCC1 ZINC001235550599 1072290232 /nfs/dbraw/zinc/29/02/32/1072290232.db2.gz OYMCYBKJGALEKS-YYIAUSFCSA-N 2 1 401.529 -1.041 20 0 HAADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041221 1072295174 /nfs/dbraw/zinc/29/51/74/1072295174.db2.gz SLNAZSHXXLFHIN-ARFHVFGLSA-N 2 1 401.529 -1.305 20 0 HAADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041222 1072295103 /nfs/dbraw/zinc/29/51/03/1072295103.db2.gz SLNAZSHXXLFHIN-BZUAXINKSA-N 2 1 401.529 -1.305 20 0 HAADMP Cn1cc(N2C[C@]3(COCC[N@@H+](C[C@@H](O)CC4(O)CC[NH2+]CC4)C3)OCC2=O)cn1 ZINC001246044828 1072295225 /nfs/dbraw/zinc/29/52/25/1072295225.db2.gz VOGMOMYBGXBKOV-FXAWDEMLSA-N 2 1 423.514 -1.280 20 0 HAADMP Cn1cc(N2C[C@]3(COCC[N@H+](C[C@@H](O)CC4(O)CC[NH2+]CC4)C3)OCC2=O)cn1 ZINC001246044828 1072295216 /nfs/dbraw/zinc/29/52/16/1072295216.db2.gz VOGMOMYBGXBKOV-FXAWDEMLSA-N 2 1 423.514 -1.280 20 0 HAADMP Cn1cc(N2C[C@@]3(COCC[N@@H+](C[C@@H](O)CC4(O)CC[NH2+]CC4)C3)OCC2=O)cn1 ZINC001246044830 1072295390 /nfs/dbraw/zinc/29/53/90/1072295390.db2.gz VOGMOMYBGXBKOV-PXNSSMCTSA-N 2 1 423.514 -1.280 20 0 HAADMP Cn1cc(N2C[C@@]3(COCC[N@H+](C[C@@H](O)CC4(O)CC[NH2+]CC4)C3)OCC2=O)cn1 ZINC001246044830 1072295380 /nfs/dbraw/zinc/29/53/80/1072295380.db2.gz VOGMOMYBGXBKOV-PXNSSMCTSA-N 2 1 423.514 -1.280 20 0 HAADMP Cn1cc(N2C[C@@]3(COCC[N@@H+](C[C@H](O)CC4(O)CC[NH2+]CC4)C3)OCC2=O)cn1 ZINC001246044832 1072295445 /nfs/dbraw/zinc/29/54/45/1072295445.db2.gz VOGMOMYBGXBKOV-XLIONFOSSA-N 2 1 423.514 -1.280 20 0 HAADMP Cn1cc(N2C[C@@]3(COCC[N@H+](C[C@H](O)CC4(O)CC[NH2+]CC4)C3)OCC2=O)cn1 ZINC001246044832 1072295438 /nfs/dbraw/zinc/29/54/38/1072295438.db2.gz VOGMOMYBGXBKOV-XLIONFOSSA-N 2 1 423.514 -1.280 20 0 HAADMP Cn1cc(N2C[C@]3(COCC[N@@H+](C[C@H](O)CC4(O)CC[NH2+]CC4)C3)OCC2=O)cn1 ZINC001246044834 1072295344 /nfs/dbraw/zinc/29/53/44/1072295344.db2.gz VOGMOMYBGXBKOV-YLJYHZDGSA-N 2 1 423.514 -1.280 20 0 HAADMP Cn1cc(N2C[C@]3(COCC[N@H+](C[C@H](O)CC4(O)CC[NH2+]CC4)C3)OCC2=O)cn1 ZINC001246044834 1072295336 /nfs/dbraw/zinc/29/53/36/1072295336.db2.gz VOGMOMYBGXBKOV-YLJYHZDGSA-N 2 1 423.514 -1.280 20 0 HAADMP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246216983 1072295978 /nfs/dbraw/zinc/29/59/78/1072295978.db2.gz OZLBGDIGUICLHH-IRXDYDNUSA-N 2 1 420.576 -1.136 20 0 HAADMP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246216994 1072295938 /nfs/dbraw/zinc/29/59/38/1072295938.db2.gz OZLBGDIGUICLHH-SJORKVTESA-N 2 1 420.576 -1.136 20 0 HAADMP COC(=O)C1C[C@@H]2CC(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)C[C@H](C1)[NH2+]2 ZINC001246316461 1072296881 /nfs/dbraw/zinc/29/68/81/1072296881.db2.gz RWZVKQXJSPGTQK-CIGJGJOTSA-N 2 1 423.470 -1.861 20 0 HAADMP CC[C@@]1(C(=O)OC)C[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C[NH2+]1 ZINC001246374922 1072296999 /nfs/dbraw/zinc/29/69/99/1072296999.db2.gz NTGNZOIZKRXAEL-KFCIYAHZSA-N 2 1 421.458 -1.362 20 0 HAADMP CC[C@@]1(C(=O)OC)C[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C[NH2+]1 ZINC001246374924 1072297487 /nfs/dbraw/zinc/29/74/87/1072297487.db2.gz NTGNZOIZKRXAEL-UTOCCYJDSA-N 2 1 421.458 -1.362 20 0 HAADMP CC[C@]1(C(=O)OC)C[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C[NH2+]1 ZINC001246374927 1072297470 /nfs/dbraw/zinc/29/74/70/1072297470.db2.gz NTGNZOIZKRXAEL-UYOFECAQSA-N 2 1 421.458 -1.362 20 0 HAADMP CC[C@]1(C(=O)OC)C[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C[NH2+]1 ZINC001246374929 1072297549 /nfs/dbraw/zinc/29/75/49/1072297549.db2.gz NTGNZOIZKRXAEL-YHJJZMCBSA-N 2 1 421.458 -1.362 20 0 HAADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)N1CCOCC1 ZINC001246720211 1072298705 /nfs/dbraw/zinc/29/87/05/1072298705.db2.gz HZCYYBSQOCCTBF-MWDXBVQZSA-N 2 1 412.556 -1.326 20 0 HAADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)N1CCOCC1 ZINC001246720216 1072298651 /nfs/dbraw/zinc/29/86/51/1072298651.db2.gz HZCYYBSQOCCTBF-QBPKDAKJSA-N 2 1 412.556 -1.326 20 0 HAADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)N1CCOCC1 ZINC001246720217 1072298543 /nfs/dbraw/zinc/29/85/43/1072298543.db2.gz HZCYYBSQOCCTBF-YLFCFFPRSA-N 2 1 412.556 -1.326 20 0 HAADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)N1CCOCC1 ZINC001246720218 1072298716 /nfs/dbraw/zinc/29/87/16/1072298716.db2.gz HZCYYBSQOCCTBF-YYIAUSFCSA-N 2 1 412.556 -1.326 20 0 HAADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1)C(=O)NCC(N)=O ZINC001246833693 1072299676 /nfs/dbraw/zinc/29/96/76/1072299676.db2.gz PMPONFCHZZZODS-JYJNAYRXSA-N 2 1 408.547 -1.323 20 0 HAADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)NCC(N)=O ZINC001246833706 1072299617 /nfs/dbraw/zinc/29/96/17/1072299617.db2.gz PMPONFCHZZZODS-PMPSAXMXSA-N 2 1 408.547 -1.323 20 0 HAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001252931182 1072310728 /nfs/dbraw/zinc/31/07/28/1072310728.db2.gz IGMBHVONVDQBKD-HNNXBMFYSA-N 2 1 424.550 -1.070 20 0 HAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001252931182 1072310714 /nfs/dbraw/zinc/31/07/14/1072310714.db2.gz IGMBHVONVDQBKD-HNNXBMFYSA-N 2 1 424.550 -1.070 20 0 HAADMP C[N@H+]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255426115 1072325033 /nfs/dbraw/zinc/32/50/33/1072325033.db2.gz LBAHONSASWUHDP-JYJNAYRXSA-N 3 1 422.534 -2.155 20 0 HAADMP C[N@H+]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255426128 1072325274 /nfs/dbraw/zinc/32/52/74/1072325274.db2.gz LBAHONSASWUHDP-PMPSAXMXSA-N 3 1 422.534 -2.155 20 0 HAADMP [NH3+][C@H]1[C@H](n2ccc(NC3CCC([NH+]4CCOCC4)CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001256685210 1072329196 /nfs/dbraw/zinc/32/91/96/1072329196.db2.gz ZQVLIXRIQDNEAM-OQZSSHQSSA-N 2 1 409.487 -1.289 20 0 HAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)NC[C@]3(O)CC[N@@H+](C)C3)c[nH]2)C1 ZINC001320220232 1072418167 /nfs/dbraw/zinc/41/81/67/1072418167.db2.gz XODVKRSRBOVBME-DLBZAZTESA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)NC[C@]3(O)CC[N@H+](C)C3)c[nH]2)C1 ZINC001320220232 1072418165 /nfs/dbraw/zinc/41/81/65/1072418165.db2.gz XODVKRSRBOVBME-DLBZAZTESA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@@](O)(CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)C1 ZINC001320220232 1072418163 /nfs/dbraw/zinc/41/81/63/1072418163.db2.gz XODVKRSRBOVBME-DLBZAZTESA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)NC[C@]3(O)CC[N@@H+](C)C3)c[nH]2)C1 ZINC001320220235 1072418387 /nfs/dbraw/zinc/41/83/87/1072418387.db2.gz XODVKRSRBOVBME-IAGOWNOFSA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)NC[C@]3(O)CC[N@H+](C)C3)c[nH]2)C1 ZINC001320220235 1072418381 /nfs/dbraw/zinc/41/83/81/1072418381.db2.gz XODVKRSRBOVBME-IAGOWNOFSA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@@](O)(CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)C1 ZINC001320220235 1072418379 /nfs/dbraw/zinc/41/83/79/1072418379.db2.gz XODVKRSRBOVBME-IAGOWNOFSA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c[nH]2)C1 ZINC001320220237 1072418340 /nfs/dbraw/zinc/41/83/40/1072418340.db2.gz XODVKRSRBOVBME-IRXDYDNUSA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)NC[C@@]3(O)CC[N@H+](C)C3)c[nH]2)C1 ZINC001320220237 1072418336 /nfs/dbraw/zinc/41/83/36/1072418336.db2.gz XODVKRSRBOVBME-IRXDYDNUSA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@](O)(CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)C1 ZINC001320220237 1072418330 /nfs/dbraw/zinc/41/83/30/1072418330.db2.gz XODVKRSRBOVBME-IRXDYDNUSA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c[nH]2)C1 ZINC001320220239 1072418258 /nfs/dbraw/zinc/41/82/58/1072418258.db2.gz XODVKRSRBOVBME-SJORKVTESA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)NC[C@@]3(O)CC[N@H+](C)C3)c[nH]2)C1 ZINC001320220239 1072418255 /nfs/dbraw/zinc/41/82/55/1072418255.db2.gz XODVKRSRBOVBME-SJORKVTESA-N 2 1 415.516 -1.844 20 0 HAADMP C[NH+]1CC[C@](O)(CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)C1 ZINC001320220239 1072418248 /nfs/dbraw/zinc/41/82/48/1072418248.db2.gz XODVKRSRBOVBME-SJORKVTESA-N 2 1 415.516 -1.844 20 0 HAADMP O=C(C[NH+]1C[C@@H](O)C[C@H]1CO)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC001320412397 1072420145 /nfs/dbraw/zinc/42/01/45/1072420145.db2.gz CPFXGVBRPWKGPM-VGWMRTNUSA-N 2 1 400.476 -3.488 20 0 HAADMP O=C(C[NH+]1C[C@@H](O)C[C@H]1CO)N1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC001320412397 1072420139 /nfs/dbraw/zinc/42/01/39/1072420139.db2.gz CPFXGVBRPWKGPM-VGWMRTNUSA-N 2 1 400.476 -3.488 20 0 HAADMP O=C1NC(=O)[C@]2(CCC[N@H+](CCOCC[NH+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001320991455 1072425961 /nfs/dbraw/zinc/42/59/61/1072425961.db2.gz AIGIWCJWYHHKGP-HDICACEKSA-N 2 1 408.459 -1.649 20 0 HAADMP O=C1NC(=O)[C@]2(CCC[N@@H+](CCOCC[NH+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001320991455 1072425957 /nfs/dbraw/zinc/42/59/57/1072425957.db2.gz AIGIWCJWYHHKGP-HDICACEKSA-N 2 1 408.459 -1.649 20 0 HAADMP O=C1NC(=O)[C@]2(CCC[NH+](CCOCC[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001320991455 1072425955 /nfs/dbraw/zinc/42/59/55/1072425955.db2.gz AIGIWCJWYHHKGP-HDICACEKSA-N 2 1 408.459 -1.649 20 0 HAADMP O=C1NC(=O)[C@]2(CCC[NH+](CCOCC[N@@H+]3CCC[C@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001320991489 1072425990 /nfs/dbraw/zinc/42/59/90/1072425990.db2.gz AIGIWCJWYHHKGP-QZTJIDSGSA-N 2 1 408.459 -1.649 20 0 HAADMP O=C1NC(=O)[C@@]2(CCC[NH+](CCOCC[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001320991493 1072425910 /nfs/dbraw/zinc/42/59/10/1072425910.db2.gz AIGIWCJWYHHKGP-ROUUACIJSA-N 2 1 408.459 -1.649 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)[C@@H]1C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC001321452010 1072429752 /nfs/dbraw/zinc/42/97/52/1072429752.db2.gz IEUOJQYAWJPMJK-JSRVAWGMSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)[C@@H]1C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC001321452010 1072429745 /nfs/dbraw/zinc/42/97/45/1072429745.db2.gz IEUOJQYAWJPMJK-JSRVAWGMSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001321452010 1072429740 /nfs/dbraw/zinc/42/97/40/1072429740.db2.gz IEUOJQYAWJPMJK-JSRVAWGMSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC001321452013 1072429352 /nfs/dbraw/zinc/42/93/52/1072429352.db2.gz IEUOJQYAWJPMJK-VNGVDIOXSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC001321452013 1072429346 /nfs/dbraw/zinc/42/93/46/1072429346.db2.gz IEUOJQYAWJPMJK-VNGVDIOXSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001321452013 1072429340 /nfs/dbraw/zinc/42/93/40/1072429340.db2.gz IEUOJQYAWJPMJK-VNGVDIOXSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)[C@H]1C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC001321452014 1072429637 /nfs/dbraw/zinc/42/96/37/1072429637.db2.gz IEUOJQYAWJPMJK-WGMOTNOQSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)[C@H]1C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC001321452014 1072429635 /nfs/dbraw/zinc/42/96/35/1072429635.db2.gz IEUOJQYAWJPMJK-WGMOTNOQSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001321452014 1072429630 /nfs/dbraw/zinc/42/96/30/1072429630.db2.gz IEUOJQYAWJPMJK-WGMOTNOQSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC001321452017 1072429515 /nfs/dbraw/zinc/42/95/15/1072429515.db2.gz IEUOJQYAWJPMJK-XHXDDVKMSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC001321452017 1072429509 /nfs/dbraw/zinc/42/95/09/1072429509.db2.gz IEUOJQYAWJPMJK-XHXDDVKMSA-N 2 1 424.542 -1.417 20 0 HAADMP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001321452017 1072429506 /nfs/dbraw/zinc/42/95/06/1072429506.db2.gz IEUOJQYAWJPMJK-XHXDDVKMSA-N 2 1 424.542 -1.417 20 0 HAADMP NC(=O)C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](CC(N)=O)C3)CC2)C1 ZINC001323482667 1072443255 /nfs/dbraw/zinc/44/32/55/1072443255.db2.gz KERVOVANHKCNLV-HOTGVXAUSA-N 2 1 422.530 -1.948 20 0 HAADMP NC(=O)C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](CC(N)=O)C3)CC2)C1 ZINC001323482679 1072443100 /nfs/dbraw/zinc/44/31/00/1072443100.db2.gz KERVOVANHKCNLV-HZPDHXFCSA-N 2 1 422.530 -1.948 20 0 HAADMP NC(=O)C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](CC(N)=O)C3)CC2)C1 ZINC001323482681 1072443172 /nfs/dbraw/zinc/44/31/72/1072443172.db2.gz KERVOVANHKCNLV-IYBDPMFKSA-N 2 1 422.530 -1.948 20 0 HAADMP NC(=O)C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](CC(N)=O)C3)CC2)C1 ZINC001323482681 1072443165 /nfs/dbraw/zinc/44/31/65/1072443165.db2.gz KERVOVANHKCNLV-IYBDPMFKSA-N 2 1 422.530 -1.948 20 0 HAADMP NC(=O)C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@@H](CC(N)=O)C3)CC2)C1 ZINC001323482681 1072443162 /nfs/dbraw/zinc/44/31/62/1072443162.db2.gz KERVOVANHKCNLV-IYBDPMFKSA-N 2 1 422.530 -1.948 20 0 HAADMP C[NH+](C)CCN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O ZINC001631963401 1072696474 /nfs/dbraw/zinc/69/64/74/1072696474.db2.gz CDDBDWIHDPVFLX-KRWDZBQOSA-N 2 1 409.531 -1.068 20 0 HAADMP C[NH+](C)CCN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1=O ZINC001631963402 1072696447 /nfs/dbraw/zinc/69/64/47/1072696447.db2.gz CDDBDWIHDPVFLX-QGZVFWFLSA-N 2 1 409.531 -1.068 20 0 HAADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001678645548 1072786192 /nfs/dbraw/zinc/78/61/92/1072786192.db2.gz VRCQWCMPDZXHAD-CMKODMSKSA-N 2 1 411.547 -1.082 20 0 HAADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001678645548 1072786187 /nfs/dbraw/zinc/78/61/87/1072786187.db2.gz VRCQWCMPDZXHAD-CMKODMSKSA-N 2 1 411.547 -1.082 20 0 HAADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001678645548 1072786182 /nfs/dbraw/zinc/78/61/82/1072786182.db2.gz VRCQWCMPDZXHAD-CMKODMSKSA-N 2 1 411.547 -1.082 20 0 HAADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001678645549 1072786053 /nfs/dbraw/zinc/78/60/53/1072786053.db2.gz VRCQWCMPDZXHAD-WSTZPKSXSA-N 2 1 411.547 -1.082 20 0 HAADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001678645549 1072786047 /nfs/dbraw/zinc/78/60/47/1072786047.db2.gz VRCQWCMPDZXHAD-WSTZPKSXSA-N 2 1 411.547 -1.082 20 0 HAADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001678645549 1072786040 /nfs/dbraw/zinc/78/60/40/1072786040.db2.gz VRCQWCMPDZXHAD-WSTZPKSXSA-N 2 1 411.547 -1.082 20 0 HAADMP