smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001500784032 1069310561 /nfs/dbraw/zinc/31/05/61/1069310561.db2.gz IZTSLQYECDPRMT-KNQAVFIVSA-N 2 1 469.638 1.456 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001500784032 1069310581 /nfs/dbraw/zinc/31/05/81/1069310581.db2.gz IZTSLQYECDPRMT-KNQAVFIVSA-N 2 1 469.638 1.456 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001500784079 1069311203 /nfs/dbraw/zinc/31/12/03/1069311203.db2.gz LAQRLORRRITHFP-UHFFFAOYSA-N 2 1 454.627 1.856 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001500784079 1069311218 /nfs/dbraw/zinc/31/12/18/1069311218.db2.gz LAQRLORRRITHFP-UHFFFAOYSA-N 2 1 454.627 1.856 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001500784079 1069311232 /nfs/dbraw/zinc/31/12/32/1069311232.db2.gz LAQRLORRRITHFP-UHFFFAOYSA-N 2 1 454.627 1.856 20 0 JDADMP CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001500788237 1069312805 /nfs/dbraw/zinc/31/28/05/1069312805.db2.gz ZUYZMQARAKEUII-QFIPXVFZSA-N 2 1 474.698 1.956 20 0 JDADMP CCC[N@@H+](CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001500789987 1069314544 /nfs/dbraw/zinc/31/45/44/1069314544.db2.gz MZGGBYBYFHAZBQ-LJQANCHMSA-N 2 1 485.699 1.263 20 0 JDADMP CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC001500921965 1069330455 /nfs/dbraw/zinc/33/04/55/1069330455.db2.gz MMDIIEUXVBXXEP-CMKODMSKSA-N 2 1 467.684 1.683 20 0 JDADMP CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001500922887 1069331177 /nfs/dbraw/zinc/33/11/77/1069331177.db2.gz SAOMCBAGLPPDEQ-ROUUACIJSA-N 2 1 455.673 1.587 20 0 JDADMP CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001500922888 1069331348 /nfs/dbraw/zinc/33/13/48/1069331348.db2.gz SAOMCBAGLPPDEQ-ZWKOTPCHSA-N 2 1 455.673 1.587 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001500965487 1069342143 /nfs/dbraw/zinc/34/21/43/1069342143.db2.gz CTNYOTHDZMLUFR-ZEQRLZLVSA-N 2 1 464.655 1.696 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001500972404 1069342772 /nfs/dbraw/zinc/34/27/72/1069342772.db2.gz FSHLURCKEWMBOW-NRFANRHFSA-N 2 1 460.671 1.567 20 0 JDADMP CCOC(=O)N1CCN(S(=O)(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC001475044987 1069343501 /nfs/dbraw/zinc/34/35/01/1069343501.db2.gz KMEZXXQULQAAET-UHFFFAOYSA-N 2 1 459.657 1.133 20 0 JDADMP CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001501040623 1069368907 /nfs/dbraw/zinc/36/89/07/1069368907.db2.gz LBDKGXMNKGHPSI-IPJJNNNSSA-N 2 1 483.683 1.064 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001501040623 1069368909 /nfs/dbraw/zinc/36/89/09/1069368909.db2.gz LBDKGXMNKGHPSI-IPJJNNNSSA-N 2 1 483.683 1.064 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001501768348 1069622788 /nfs/dbraw/zinc/62/27/88/1069622788.db2.gz ZWCLINBWNRRYNJ-NRFANRHFSA-N 2 1 488.681 1.235 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001501768348 1069622800 /nfs/dbraw/zinc/62/28/00/1069622800.db2.gz ZWCLINBWNRRYNJ-NRFANRHFSA-N 2 1 488.681 1.235 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001501774857 1069641790 /nfs/dbraw/zinc/64/17/90/1069641790.db2.gz MBTKZYNXVSXLFE-UXHICEINSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001501774857 1069641814 /nfs/dbraw/zinc/64/18/14/1069641814.db2.gz MBTKZYNXVSXLFE-UXHICEINSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001501774857 1069641850 /nfs/dbraw/zinc/64/18/50/1069641850.db2.gz MBTKZYNXVSXLFE-UXHICEINSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001501774857 1069641876 /nfs/dbraw/zinc/64/18/76/1069641876.db2.gz MBTKZYNXVSXLFE-UXHICEINSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001501778419 1069653510 /nfs/dbraw/zinc/65/35/10/1069653510.db2.gz JVSOADYKEQQOLV-OAQYLSRUSA-N 2 1 488.681 1.265 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001501778419 1069653550 /nfs/dbraw/zinc/65/35/50/1069653550.db2.gz JVSOADYKEQQOLV-OAQYLSRUSA-N 2 1 488.681 1.265 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001501778419 1069653593 /nfs/dbraw/zinc/65/35/93/1069653593.db2.gz JVSOADYKEQQOLV-OAQYLSRUSA-N 2 1 488.681 1.265 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001501778419 1069653636 /nfs/dbraw/zinc/65/36/36/1069653636.db2.gz JVSOADYKEQQOLV-OAQYLSRUSA-N 2 1 488.681 1.265 20 0 JDADMP CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001501783566 1069674622 /nfs/dbraw/zinc/67/46/22/1069674622.db2.gz NUFHCWXRDZOWEG-LJQANCHMSA-N 2 1 456.639 1.757 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001501799811 1069727107 /nfs/dbraw/zinc/72/71/07/1069727107.db2.gz YRDBSBQUJLDCCH-QUCCMNQESA-N 2 1 457.627 1.152 20 0 JDADMP CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001501804344 1069733419 /nfs/dbraw/zinc/73/34/19/1069733419.db2.gz CGVSBAJHMCAWDR-FQEVSTJZSA-N 2 1 471.654 1.577 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001501903850 1069774758 /nfs/dbraw/zinc/77/47/58/1069774758.db2.gz LKMONAIQJXPWRZ-LEWJYISDSA-N 2 1 485.681 1.789 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001501903674 1069773854 /nfs/dbraw/zinc/77/38/54/1069773854.db2.gz FKJRBLCPLFVVPQ-NRFANRHFSA-N 2 1 483.665 1.846 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001501904018 1069778013 /nfs/dbraw/zinc/77/80/13/1069778013.db2.gz RIZPFZUTHWPKIQ-LJQANCHMSA-N 2 1 455.611 1.067 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001501903981 1069778163 /nfs/dbraw/zinc/77/81/63/1069778163.db2.gz PSGNRAPPAWTCIH-HXUWFJFHSA-N 2 1 454.623 1.815 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001501904017 1069779004 /nfs/dbraw/zinc/77/90/04/1069779004.db2.gz RIZPFZUTHWPKIQ-IBGZPJMESA-N 2 1 455.611 1.067 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001501904223 1069782005 /nfs/dbraw/zinc/78/20/05/1069782005.db2.gz ZAXZVXGIFMHIQK-JOCHJYFZSA-N 2 1 498.676 1.831 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001501906497 1069785695 /nfs/dbraw/zinc/78/56/95/1069785695.db2.gz GWHDFGAKUMVVQS-HXUWFJFHSA-N 2 1 456.639 1.926 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001501906749 1069789547 /nfs/dbraw/zinc/78/95/47/1069789547.db2.gz NNMJIXPDLUCPDY-UHFFFAOYSA-N 2 1 498.676 1.365 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001501906749 1069789565 /nfs/dbraw/zinc/78/95/65/1069789565.db2.gz NNMJIXPDLUCPDY-UHFFFAOYSA-N 2 1 498.676 1.365 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001501951732 1069805872 /nfs/dbraw/zinc/80/58/72/1069805872.db2.gz FSVQNHNTCLELJW-OAQYLSRUSA-N 2 1 471.654 1.634 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951715 1069806003 /nfs/dbraw/zinc/80/60/03/1069806003.db2.gz FNQGWIZZISUDJI-BAGYTPMASA-N 2 1 488.681 1.340 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001501954468 1069806255 /nfs/dbraw/zinc/80/62/55/1069806255.db2.gz BIPQPNIOALJZNR-OAQYLSRUSA-N 2 1 461.655 1.648 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001501954468 1069806256 /nfs/dbraw/zinc/80/62/56/1069806256.db2.gz BIPQPNIOALJZNR-OAQYLSRUSA-N 2 1 461.655 1.648 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001501954558 1069806612 /nfs/dbraw/zinc/80/66/12/1069806612.db2.gz DNJQGXJPRGZWGK-WOJBJXKFSA-N 2 1 483.683 1.017 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001501980823 1069810844 /nfs/dbraw/zinc/81/08/44/1069810844.db2.gz MGLJJAHZKGAOBG-MBDNFAEBSA-N 2 1 474.698 1.954 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001501982782 1069811907 /nfs/dbraw/zinc/81/19/07/1069811907.db2.gz QWRGJCYIBDXJGN-PSBKLILYSA-N 2 1 461.655 1.501 20 0 JDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC001477317496 1069812287 /nfs/dbraw/zinc/81/22/87/1069812287.db2.gz UROSRANYFUDUKT-HSZRJFAPSA-N 2 1 458.651 1.607 20 0 JDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001477317496 1069812288 /nfs/dbraw/zinc/81/22/88/1069812288.db2.gz UROSRANYFUDUKT-HSZRJFAPSA-N 2 1 458.651 1.607 20 0 JDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001477317496 1069812289 /nfs/dbraw/zinc/81/22/89/1069812289.db2.gz UROSRANYFUDUKT-HSZRJFAPSA-N 2 1 458.651 1.607 20 0 JDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC001477436176 1069823944 /nfs/dbraw/zinc/82/39/44/1069823944.db2.gz NASZYTFPGIGYIY-HXUWFJFHSA-N 2 1 452.607 1.909 20 0 JDADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001477471521 1069825907 /nfs/dbraw/zinc/82/59/07/1069825907.db2.gz IUIJBAIHLLHSBL-RUZDIDTESA-N 2 1 451.615 1.870 20 0 JDADMP CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC001502185163 1069845812 /nfs/dbraw/zinc/84/58/12/1069845812.db2.gz VXIGOTJLHDGWCY-NRFANRHFSA-N 2 1 461.655 1.793 20 0 JDADMP CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC001502185163 1069845817 /nfs/dbraw/zinc/84/58/17/1069845817.db2.gz VXIGOTJLHDGWCY-NRFANRHFSA-N 2 1 461.655 1.793 20 0 JDADMP CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001502185722 1069847036 /nfs/dbraw/zinc/84/70/36/1069847036.db2.gz NHZKDFFYXZEQEY-MOPGFXCFSA-N 2 1 455.673 1.683 20 0 JDADMP CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001502186814 1069848874 /nfs/dbraw/zinc/84/88/74/1069848874.db2.gz RVCNKLSCIZCLGA-QGZVFWFLSA-N 2 1 455.673 1.683 20 0 JDADMP CC[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001502186814 1069848876 /nfs/dbraw/zinc/84/88/76/1069848876.db2.gz RVCNKLSCIZCLGA-QGZVFWFLSA-N 2 1 455.673 1.683 20 0 JDADMP CC[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001502186814 1069848879 /nfs/dbraw/zinc/84/88/79/1069848879.db2.gz RVCNKLSCIZCLGA-QGZVFWFLSA-N 2 1 455.673 1.683 20 0 JDADMP CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001502196680 1069852332 /nfs/dbraw/zinc/85/23/32/1069852332.db2.gz ZEPDICJJMXPIBY-MSOLQXFVSA-N 2 1 487.571 1.662 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001502196680 1069852334 /nfs/dbraw/zinc/85/23/34/1069852334.db2.gz ZEPDICJJMXPIBY-MSOLQXFVSA-N 2 1 487.571 1.662 20 0 JDADMP CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001502196683 1069852802 /nfs/dbraw/zinc/85/28/02/1069852802.db2.gz ZEPDICJJMXPIBY-ZWKOTPCHSA-N 2 1 487.571 1.662 20 0 JDADMP CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001502196683 1069852803 /nfs/dbraw/zinc/85/28/03/1069852803.db2.gz ZEPDICJJMXPIBY-ZWKOTPCHSA-N 2 1 487.571 1.662 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C)C(C)C ZINC001502199231 1069854314 /nfs/dbraw/zinc/85/43/14/1069854314.db2.gz GYDZCYJWUYOSCK-UFYCRDLUSA-N 2 1 485.699 1.260 20 0 JDADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)C(C)C ZINC001502199231 1069854315 /nfs/dbraw/zinc/85/43/15/1069854315.db2.gz GYDZCYJWUYOSCK-UFYCRDLUSA-N 2 1 485.699 1.260 20 0 JDADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)C(C)C ZINC001502199231 1069854317 /nfs/dbraw/zinc/85/43/17/1069854317.db2.gz GYDZCYJWUYOSCK-UFYCRDLUSA-N 2 1 485.699 1.260 20 0 JDADMP CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001502203340 1069857062 /nfs/dbraw/zinc/85/70/62/1069857062.db2.gz IENNHONEOKQPMP-QFIPXVFZSA-N 2 1 474.698 1.736 20 0 JDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CC[NH+](CC4CCOCC4)CC3)c2)C1 ZINC001477841251 1069866653 /nfs/dbraw/zinc/86/66/53/1069866653.db2.gz DGHPKKWQZXXELR-QHCPKHFHSA-N 2 1 457.619 1.638 20 0 JDADMP CC1(C)C[N@H+](C2(CNC(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CCCCC2)CCO1 ZINC001477843699 1069867593 /nfs/dbraw/zinc/86/75/93/1069867593.db2.gz DEFJDWJUCBXPGV-NRFANRHFSA-N 2 1 451.656 1.506 20 0 JDADMP CC1(C)C[NH+](C2(CNC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CCCCC2)CCO1 ZINC001477843699 1069867602 /nfs/dbraw/zinc/86/76/02/1069867602.db2.gz DEFJDWJUCBXPGV-NRFANRHFSA-N 2 1 451.656 1.506 20 0 JDADMP CC1(C)C[NH+](C2(CNC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CCCCC2)CCO1 ZINC001477843699 1069867604 /nfs/dbraw/zinc/86/76/04/1069867604.db2.gz DEFJDWJUCBXPGV-NRFANRHFSA-N 2 1 451.656 1.506 20 0 JDADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)CCOC)C[C@H]1C ZINC001502248148 1069929922 /nfs/dbraw/zinc/92/99/22/1069929922.db2.gz UDDWLXJDBQLCRM-RTBURBONSA-N 2 1 478.663 1.846 20 0 JDADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)CCOC)C[C@H]1C ZINC001502248148 1069929955 /nfs/dbraw/zinc/92/99/55/1069929955.db2.gz UDDWLXJDBQLCRM-RTBURBONSA-N 2 1 478.663 1.846 20 0 JDADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)CCOC)C[C@H]1C ZINC001502248148 1069929977 /nfs/dbraw/zinc/92/99/77/1069929977.db2.gz UDDWLXJDBQLCRM-RTBURBONSA-N 2 1 478.663 1.846 20 0 JDADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)CCOC)C[C@H]1C ZINC001502248148 1069930008 /nfs/dbraw/zinc/93/00/08/1069930008.db2.gz UDDWLXJDBQLCRM-RTBURBONSA-N 2 1 478.663 1.846 20 0 JDADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)CCOC)C[C@@H]1C ZINC001502248147 1069930605 /nfs/dbraw/zinc/93/06/05/1069930605.db2.gz UDDWLXJDBQLCRM-RBUKOAKNSA-N 2 1 478.663 1.846 20 0 JDADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)CCOC)C[C@@H]1C ZINC001502248147 1069930630 /nfs/dbraw/zinc/93/06/30/1069930630.db2.gz UDDWLXJDBQLCRM-RBUKOAKNSA-N 2 1 478.663 1.846 20 0 JDADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)CCOC)C[C@@H]1C ZINC001502248147 1069930644 /nfs/dbraw/zinc/93/06/44/1069930644.db2.gz UDDWLXJDBQLCRM-RBUKOAKNSA-N 2 1 478.663 1.846 20 0 JDADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)CCOC)C[C@@H]1C ZINC001502248147 1069930671 /nfs/dbraw/zinc/93/06/71/1069930671.db2.gz UDDWLXJDBQLCRM-RBUKOAKNSA-N 2 1 478.663 1.846 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001502265793 1069976618 /nfs/dbraw/zinc/97/66/18/1069976618.db2.gz XGADEYSKTMEMMN-CMOCDZPBSA-N 2 1 477.698 1.947 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC001502265793 1069976653 /nfs/dbraw/zinc/97/66/53/1069976653.db2.gz XGADEYSKTMEMMN-CMOCDZPBSA-N 2 1 477.698 1.947 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC001502265793 1069976684 /nfs/dbraw/zinc/97/66/84/1069976684.db2.gz XGADEYSKTMEMMN-CMOCDZPBSA-N 2 1 477.698 1.947 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC001502270687 1069990086 /nfs/dbraw/zinc/99/00/86/1069990086.db2.gz REWRXLFKKIVMLU-SFTDATJTSA-N 2 1 460.671 1.363 20 0 JDADMP CC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)C1 ZINC001502271950 1069995363 /nfs/dbraw/zinc/99/53/63/1069995363.db2.gz OKZSSYLWVSHHHI-BAMDZGJYSA-N 2 1 491.681 1.333 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)C1 ZINC001502271950 1069995386 /nfs/dbraw/zinc/99/53/86/1069995386.db2.gz OKZSSYLWVSHHHI-BAMDZGJYSA-N 2 1 491.681 1.333 20 0 JDADMP CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001502292175 1070033548 /nfs/dbraw/zinc/03/35/48/1070033548.db2.gz NJJQNXMLMCQWQB-TZIWHRDSSA-N 2 1 461.655 1.980 20 0 JDADMP CC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001502292175 1070033567 /nfs/dbraw/zinc/03/35/67/1070033567.db2.gz NJJQNXMLMCQWQB-TZIWHRDSSA-N 2 1 461.655 1.980 20 0 JDADMP CC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001502292175 1070033586 /nfs/dbraw/zinc/03/35/86/1070033586.db2.gz NJJQNXMLMCQWQB-TZIWHRDSSA-N 2 1 461.655 1.980 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC001478956810 1070071922 /nfs/dbraw/zinc/07/19/22/1070071922.db2.gz ICZMDEJISKXZST-SFHVURJKSA-N 2 1 453.031 1.878 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC001478956810 1070071942 /nfs/dbraw/zinc/07/19/42/1070071942.db2.gz ICZMDEJISKXZST-SFHVURJKSA-N 2 1 453.031 1.878 20 0 JDADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001502312419 1070083154 /nfs/dbraw/zinc/08/31/54/1070083154.db2.gz LQNPXOCCHXSFTB-JOCHJYFZSA-N 2 1 499.708 1.300 20 0 JDADMP CC[NH+]1CCN(c2ccc(Cn3c(CC(C)C)nnc3N3CC[NH+](CCOC)CC3)cn2)CC1 ZINC001502316201 1070111577 /nfs/dbraw/zinc/11/15/77/1070111577.db2.gz CAEBFEXIKHUKOL-UHFFFAOYSA-N 2 1 470.666 1.830 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502317302 1070119249 /nfs/dbraw/zinc/11/92/49/1070119249.db2.gz DVLJYUHGSXNJHB-CYFREDJKSA-N 2 1 455.607 1.744 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001502317302 1070119270 /nfs/dbraw/zinc/11/92/70/1070119270.db2.gz DVLJYUHGSXNJHB-CYFREDJKSA-N 2 1 455.607 1.744 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001502317302 1070119300 /nfs/dbraw/zinc/11/93/00/1070119300.db2.gz DVLJYUHGSXNJHB-CYFREDJKSA-N 2 1 455.607 1.744 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001502318200 1070126538 /nfs/dbraw/zinc/12/65/38/1070126538.db2.gz WGNIKYQSZLGBBL-WOJBJXKFSA-N 2 1 470.622 1.813 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001502318200 1070126545 /nfs/dbraw/zinc/12/65/45/1070126545.db2.gz WGNIKYQSZLGBBL-WOJBJXKFSA-N 2 1 470.622 1.813 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001502318200 1070126556 /nfs/dbraw/zinc/12/65/56/1070126556.db2.gz WGNIKYQSZLGBBL-WOJBJXKFSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001502327334 1070151373 /nfs/dbraw/zinc/15/13/73/1070151373.db2.gz MDTHDMPZBQYTPI-WOZUAGRISA-N 2 1 497.710 1.262 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001502327334 1070151396 /nfs/dbraw/zinc/15/13/96/1070151396.db2.gz MDTHDMPZBQYTPI-WOZUAGRISA-N 2 1 497.710 1.262 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001502327334 1070151410 /nfs/dbraw/zinc/15/14/10/1070151410.db2.gz MDTHDMPZBQYTPI-WOZUAGRISA-N 2 1 497.710 1.262 20 0 JDADMP CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001502329617 1070162244 /nfs/dbraw/zinc/16/22/44/1070162244.db2.gz FKUYJLIAGQDOFS-NRFANRHFSA-N 2 1 457.671 1.696 20 0 JDADMP CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC001502329617 1070162280 /nfs/dbraw/zinc/16/22/80/1070162280.db2.gz FKUYJLIAGQDOFS-NRFANRHFSA-N 2 1 457.671 1.696 20 0 JDADMP CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC001502329617 1070162305 /nfs/dbraw/zinc/16/23/05/1070162305.db2.gz FKUYJLIAGQDOFS-NRFANRHFSA-N 2 1 457.671 1.696 20 0 JDADMP CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001502337608 1070207280 /nfs/dbraw/zinc/20/72/80/1070207280.db2.gz LDZKZINWKJPLHG-NRFANRHFSA-N 2 1 462.687 1.610 20 0 JDADMP CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001502337608 1070207305 /nfs/dbraw/zinc/20/73/05/1070207305.db2.gz LDZKZINWKJPLHG-NRFANRHFSA-N 2 1 462.687 1.610 20 0 JDADMP CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001502337608 1070207329 /nfs/dbraw/zinc/20/73/29/1070207329.db2.gz LDZKZINWKJPLHG-NRFANRHFSA-N 2 1 462.687 1.610 20 0 JDADMP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCOC)CC2)CC1 ZINC001502340741 1070221503 /nfs/dbraw/zinc/22/15/03/1070221503.db2.gz JDLGHJCCDCRBDV-NRFANRHFSA-N 2 1 456.639 1.382 20 0 JDADMP CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502341379 1070226152 /nfs/dbraw/zinc/22/61/52/1070226152.db2.gz VAYFSDZBQOXJRW-FCHUYYIVSA-N 2 1 472.682 1.714 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493263094 1070267664 /nfs/dbraw/zinc/26/76/64/1070267664.db2.gz OVHHZOROOUUFHL-HBMCJLEFSA-N 2 1 461.655 1.695 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493263094 1070267694 /nfs/dbraw/zinc/26/76/94/1070267694.db2.gz OVHHZOROOUUFHL-HBMCJLEFSA-N 2 1 461.655 1.695 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493263094 1070267731 /nfs/dbraw/zinc/26/77/31/1070267731.db2.gz OVHHZOROOUUFHL-HBMCJLEFSA-N 2 1 461.655 1.695 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493263094 1070267774 /nfs/dbraw/zinc/26/77/74/1070267774.db2.gz OVHHZOROOUUFHL-HBMCJLEFSA-N 2 1 461.655 1.695 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001502352934 1070278144 /nfs/dbraw/zinc/27/81/44/1070278144.db2.gz SNKVOMFKOWUUMD-SFTDATJTSA-N 2 1 483.665 1.872 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001502352934 1070278164 /nfs/dbraw/zinc/27/81/64/1070278164.db2.gz SNKVOMFKOWUUMD-SFTDATJTSA-N 2 1 483.665 1.872 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001502352934 1070278122 /nfs/dbraw/zinc/27/81/22/1070278122.db2.gz SNKVOMFKOWUUMD-SFTDATJTSA-N 2 1 483.665 1.872 20 0 JDADMP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493690858 1070335767 /nfs/dbraw/zinc/33/57/67/1070335767.db2.gz LDZROQMHQKIGDC-AQNXPRMDSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCC[C@H](C)C1 ZINC001493796727 1070349350 /nfs/dbraw/zinc/34/93/50/1070349350.db2.gz MGSDMKUZQHNOSN-UFYCRDLUSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCC[C@H](C)C1 ZINC001493796727 1070349368 /nfs/dbraw/zinc/34/93/68/1070349368.db2.gz MGSDMKUZQHNOSN-UFYCRDLUSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493796727 1070349330 /nfs/dbraw/zinc/34/93/30/1070349330.db2.gz MGSDMKUZQHNOSN-UFYCRDLUSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493796722 1070350138 /nfs/dbraw/zinc/35/01/38/1070350138.db2.gz MGSDMKUZQHNOSN-SLFFLAALSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCC[C@H](C)C1 ZINC001493796722 1070350156 /nfs/dbraw/zinc/35/01/56/1070350156.db2.gz MGSDMKUZQHNOSN-SLFFLAALSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCC[C@H](C)C1 ZINC001493796722 1070350172 /nfs/dbraw/zinc/35/01/72/1070350172.db2.gz MGSDMKUZQHNOSN-SLFFLAALSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001493804769 1070351149 /nfs/dbraw/zinc/35/11/49/1070351149.db2.gz IDFXYYNIKKAMBG-WOJBJXKFSA-N 2 1 497.710 1.263 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494097421 1070392501 /nfs/dbraw/zinc/39/25/01/1070392501.db2.gz UHZHTLRXCASMNE-CEXWTWQISA-N 2 1 497.710 1.308 20 0 JDADMP C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001494348346 1070559515 /nfs/dbraw/zinc/55/95/15/1070559515.db2.gz UCDTUPDGUPVXQV-MOPGFXCFSA-N 2 1 468.668 1.069 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494519262 1070611543 /nfs/dbraw/zinc/61/15/43/1070611543.db2.gz OATFKJAPASXLKJ-NJYVYQBISA-N 2 1 497.710 1.454 20 0 JDADMP CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494520946 1070613745 /nfs/dbraw/zinc/61/37/45/1070613745.db2.gz WQLFRXGTYIGIAV-NJYVYQBISA-N 2 1 461.655 1.644 20 0 JDADMP CCO[C@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001502655258 1070728568 /nfs/dbraw/zinc/72/85/68/1070728568.db2.gz QMUKSYWJAXAIHD-ZFGGDYGUSA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001502655258 1070728586 /nfs/dbraw/zinc/72/85/86/1070728586.db2.gz QMUKSYWJAXAIHD-ZFGGDYGUSA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001502662776 1070740178 /nfs/dbraw/zinc/74/01/78/1070740178.db2.gz ULFUGNBOKRBQRU-YOSAUDMPSA-N 2 1 464.655 1.675 20 0 JDADMP CCO[C@]1(c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[NH+]2CCOCC2)CCOC1 ZINC001502683359 1070780860 /nfs/dbraw/zinc/78/08/60/1070780860.db2.gz OQLBBBSFPIJTTJ-HSZRJFAPSA-N 2 1 450.628 1.619 20 0 JDADMP CCO[C@@]1(c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[NH+]2CCOCC2)CCOC1 ZINC001502683360 1070781042 /nfs/dbraw/zinc/78/10/42/1070781042.db2.gz OQLBBBSFPIJTTJ-QHCPKHFHSA-N 2 1 450.628 1.619 20 0 JDADMP CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675638 1070813258 /nfs/dbraw/zinc/81/32/58/1070813258.db2.gz CDHMSCDWYJSLQO-RTWAWAEBSA-N 2 1 475.682 1.770 20 0 JDADMP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001495699800 1070816524 /nfs/dbraw/zinc/81/65/24/1070816524.db2.gz WVXQFFFSXUPVSI-OAQYLSRUSA-N 2 1 474.698 1.562 20 0 JDADMP CCO[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502715604 1070823855 /nfs/dbraw/zinc/82/38/55/1070823855.db2.gz WRQZQTQXRIZPLD-RDPSFJRHSA-N 2 1 464.655 1.698 20 0 JDADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001496116476 1070831169 /nfs/dbraw/zinc/83/11/69/1070831169.db2.gz ODYDBTPHHBZJPQ-GBESFXJTSA-N 2 1 455.673 1.683 20 0 JDADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001496188241 1070833404 /nfs/dbraw/zinc/83/34/04/1070833404.db2.gz LOCYDTFXYDPKNZ-OAQYLSRUSA-N 2 1 485.681 1.614 20 0 JDADMP CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001496663223 1070856338 /nfs/dbraw/zinc/85/63/38/1070856338.db2.gz WMJLTANUWPTBDM-HJNYFJLDSA-N 2 1 496.722 1.705 20 0 JDADMP COc1ccc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCOCC[NH+](C)C)cc1 ZINC001504170687 1070863581 /nfs/dbraw/zinc/86/35/81/1070863581.db2.gz PVIPCHPIVSUAKC-SIKLNZKXSA-N 2 1 458.607 1.689 20 0 JDADMP CCOCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[NH+]1CCC[C@H]1C ZINC001503029494 1070980332 /nfs/dbraw/zinc/98/03/32/1070980332.db2.gz AEGJRGSXLUFLHZ-VWPQPMDRSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001503029494 1070980366 /nfs/dbraw/zinc/98/03/66/1070980366.db2.gz AEGJRGSXLUFLHZ-VWPQPMDRSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001503029494 1070980407 /nfs/dbraw/zinc/98/04/07/1070980407.db2.gz AEGJRGSXLUFLHZ-VWPQPMDRSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503034746 1070994040 /nfs/dbraw/zinc/99/40/40/1070994040.db2.gz TVSFRKRMNRDRNF-IRLDBZIGSA-N 2 1 491.681 1.039 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001503034723 1070994752 /nfs/dbraw/zinc/99/47/52/1070994752.db2.gz SWWXRGSGYPEPMO-OALUTQOASA-N 2 1 452.669 1.799 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001503034595 1070994919 /nfs/dbraw/zinc/99/49/19/1070994919.db2.gz SGPNAEFKBPRFJH-ZJSXRUAMSA-N 2 1 483.661 1.935 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001503034595 1070994985 /nfs/dbraw/zinc/99/49/85/1070994985.db2.gz SGPNAEFKBPRFJH-ZJSXRUAMSA-N 2 1 483.661 1.935 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503034747 1070995221 /nfs/dbraw/zinc/99/52/21/1070995221.db2.gz TVSFRKRMNRDRNF-RBBKRZOGSA-N 2 1 491.681 1.039 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001503034724 1070995667 /nfs/dbraw/zinc/99/56/67/1070995667.db2.gz SWWXRGSGYPEPMO-RBUKOAKNSA-N 2 1 452.669 1.799 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503034744 1070996177 /nfs/dbraw/zinc/99/61/77/1070996177.db2.gz TVSFRKRMNRDRNF-IFMALSPDSA-N 2 1 491.681 1.039 20 0 JDADMP CCOCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001503053953 1071009965 /nfs/dbraw/zinc/00/99/65/1071009965.db2.gz JOJZCGMYDNNPQT-QFIPXVFZSA-N 2 1 475.682 1.927 20 0 JDADMP CCOCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001503053953 1071009989 /nfs/dbraw/zinc/00/99/89/1071009989.db2.gz JOJZCGMYDNNPQT-QFIPXVFZSA-N 2 1 475.682 1.927 20 0 JDADMP CCOCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503093434 1071036522 /nfs/dbraw/zinc/03/65/22/1071036522.db2.gz HDYWYXAZTRSVSY-QFIPXVFZSA-N 2 1 491.681 1.306 20 0 JDADMP CCOCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001503093434 1071036532 /nfs/dbraw/zinc/03/65/32/1071036532.db2.gz HDYWYXAZTRSVSY-QFIPXVFZSA-N 2 1 491.681 1.306 20 0 JDADMP CCOCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503093434 1071036544 /nfs/dbraw/zinc/03/65/44/1071036544.db2.gz HDYWYXAZTRSVSY-QFIPXVFZSA-N 2 1 491.681 1.306 20 0 JDADMP CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001503093434 1071036548 /nfs/dbraw/zinc/03/65/48/1071036548.db2.gz HDYWYXAZTRSVSY-QFIPXVFZSA-N 2 1 491.681 1.306 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001503098199 1071042403 /nfs/dbraw/zinc/04/24/03/1071042403.db2.gz LQIYAPSQVYCONE-OALUTQOASA-N 2 1 459.595 1.453 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001503098200 1071042480 /nfs/dbraw/zinc/04/24/80/1071042480.db2.gz LQIYAPSQVYCONE-RBUKOAKNSA-N 2 1 459.595 1.453 20 0 JDADMP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001503108700 1071062049 /nfs/dbraw/zinc/06/20/49/1071062049.db2.gz BCEPQGMREDJGOT-OAQYLSRUSA-N 2 1 463.671 1.389 20 0 JDADMP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001503108699 1071062167 /nfs/dbraw/zinc/06/21/67/1071062167.db2.gz BCEPQGMREDJGOT-NRFANRHFSA-N 2 1 463.671 1.389 20 0 JDADMP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001503109620 1071063976 /nfs/dbraw/zinc/06/39/76/1071063976.db2.gz MSYBVEAGCYHMGX-LEWJYISDSA-N 2 1 463.671 1.530 20 0 JDADMP CCOCc1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503109807 1071064780 /nfs/dbraw/zinc/06/47/80/1071064780.db2.gz PKDHOVCGROOJGV-LJQANCHMSA-N 2 1 450.628 1.615 20 0 JDADMP CCOCc1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503109807 1071064793 /nfs/dbraw/zinc/06/47/93/1071064793.db2.gz PKDHOVCGROOJGV-LJQANCHMSA-N 2 1 450.628 1.615 20 0 JDADMP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCOC(C)(C)C1 ZINC001503109807 1071064807 /nfs/dbraw/zinc/06/48/07/1071064807.db2.gz PKDHOVCGROOJGV-LJQANCHMSA-N 2 1 450.628 1.615 20 0 JDADMP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCOC(C)(C)C1 ZINC001503109807 1071064816 /nfs/dbraw/zinc/06/48/16/1071064816.db2.gz PKDHOVCGROOJGV-LJQANCHMSA-N 2 1 450.628 1.615 20 0 JDADMP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001503110643 1071065447 /nfs/dbraw/zinc/06/54/47/1071065447.db2.gz YNPREVCLLKVKSK-NRFANRHFSA-N 2 1 450.628 1.472 20 0 JDADMP CCOCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503115475 1071076921 /nfs/dbraw/zinc/07/69/21/1071076921.db2.gz RBQZOCUYFQCHIQ-SZPZYZBQSA-N 2 1 477.698 1.920 20 0 JDADMP CCOCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503115475 1071076933 /nfs/dbraw/zinc/07/69/33/1071076933.db2.gz RBQZOCUYFQCHIQ-SZPZYZBQSA-N 2 1 477.698 1.920 20 0 JDADMP CCOCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001503115475 1071076956 /nfs/dbraw/zinc/07/69/56/1071076956.db2.gz RBQZOCUYFQCHIQ-SZPZYZBQSA-N 2 1 477.698 1.920 20 0 JDADMP CCOCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001503115475 1071076972 /nfs/dbraw/zinc/07/69/72/1071076972.db2.gz RBQZOCUYFQCHIQ-SZPZYZBQSA-N 2 1 477.698 1.920 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001503215769 1071165086 /nfs/dbraw/zinc/16/50/86/1071165086.db2.gz JGSVWSUXTCRIAD-UHFFFAOYSA-N 2 1 470.622 1.816 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001503217852 1071168179 /nfs/dbraw/zinc/16/81/79/1071168179.db2.gz DCVVIRQBDPWXSA-UHFFFAOYSA-N 2 1 478.041 1.999 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001503219370 1071172065 /nfs/dbraw/zinc/17/20/65/1071172065.db2.gz CHMKQGBFFABTKK-JXALWOEJSA-N 2 1 461.655 1.898 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503219444 1071172161 /nfs/dbraw/zinc/17/21/61/1071172161.db2.gz MTPHYKSQIMNAIR-BGYRXZFFSA-N 2 1 474.654 1.725 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503219444 1071172175 /nfs/dbraw/zinc/17/21/75/1071172175.db2.gz MTPHYKSQIMNAIR-BGYRXZFFSA-N 2 1 474.654 1.725 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001503223244 1071186565 /nfs/dbraw/zinc/18/65/65/1071186565.db2.gz KFBIAQWDSYNIOO-VQTJNVASSA-N 2 1 495.669 1.695 20 0 JDADMP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC001504489021 1071262864 /nfs/dbraw/zinc/26/28/64/1071262864.db2.gz DQSHKEZVOKDCEH-QYZOEREBSA-N 2 1 497.710 1.451 20 0 JDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503356860 1071556447 /nfs/dbraw/zinc/55/64/47/1071556447.db2.gz BDWHFXFQSNARTQ-NRFANRHFSA-N 2 1 475.682 1.819 20 0 JDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503357962 1071562308 /nfs/dbraw/zinc/56/23/08/1071562308.db2.gz CEGAMOLHAIRYSG-RBUKOAKNSA-N 2 1 474.654 1.092 20 0 JDADMP COCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504811805 1071683499 /nfs/dbraw/zinc/68/34/99/1071683499.db2.gz QOUNPDGLPKHBSO-RBBKRZOGSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[NH+](C)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504811805 1071683503 /nfs/dbraw/zinc/68/35/03/1071683503.db2.gz QOUNPDGLPKHBSO-RBBKRZOGSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[NH+](C)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504811805 1071683507 /nfs/dbraw/zinc/68/35/07/1071683507.db2.gz QOUNPDGLPKHBSO-RBBKRZOGSA-N 2 1 463.671 1.749 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001504850187 1071747599 /nfs/dbraw/zinc/74/75/99/1071747599.db2.gz CLFWTHSHHUERSN-FQEVSTJZSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2ccccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001504850187 1071747607 /nfs/dbraw/zinc/74/76/07/1071747607.db2.gz CLFWTHSHHUERSN-FQEVSTJZSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001504850187 1071747615 /nfs/dbraw/zinc/74/76/15/1071747615.db2.gz CLFWTHSHHUERSN-FQEVSTJZSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[N@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001504851458 1071751368 /nfs/dbraw/zinc/75/13/68/1071751368.db2.gz OMSBTGREIRRIKE-UGKGYDQZSA-N 2 1 457.623 1.774 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001504851458 1071751375 /nfs/dbraw/zinc/75/13/75/1071751375.db2.gz OMSBTGREIRRIKE-UGKGYDQZSA-N 2 1 457.623 1.774 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504850518 1071748059 /nfs/dbraw/zinc/74/80/59/1071748059.db2.gz GNDYXNLNHBNLIK-NFBKMPQASA-N 2 1 499.664 1.082 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504850518 1071748069 /nfs/dbraw/zinc/74/80/69/1071748069.db2.gz GNDYXNLNHBNLIK-NFBKMPQASA-N 2 1 499.664 1.082 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504850518 1071748080 /nfs/dbraw/zinc/74/80/80/1071748080.db2.gz GNDYXNLNHBNLIK-NFBKMPQASA-N 2 1 499.664 1.082 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001504856201 1071769814 /nfs/dbraw/zinc/76/98/14/1071769814.db2.gz UCFDAYRYIFMWFI-UHFFFAOYSA-N 2 1 455.611 1.524 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001504856201 1071769819 /nfs/dbraw/zinc/76/98/19/1071769819.db2.gz UCFDAYRYIFMWFI-UHFFFAOYSA-N 2 1 455.611 1.524 20 0 JDADMP COCC[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504856731 1071772395 /nfs/dbraw/zinc/77/23/95/1071772395.db2.gz APZDVMJMOALWCM-UHFFFAOYSA-N 2 1 460.598 1.887 20 0 JDADMP COCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001504857546 1071778001 /nfs/dbraw/zinc/77/80/01/1071778001.db2.gz MRVNTVWWKNUKLR-JOCHJYFZSA-N 2 1 477.698 1.745 20 0 JDADMP COCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504859210 1071787051 /nfs/dbraw/zinc/78/70/51/1071787051.db2.gz WLYQDZWPZKYCDE-KNQAVFIVSA-N 2 1 489.690 1.497 20 0 JDADMP COCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504859210 1071787064 /nfs/dbraw/zinc/78/70/64/1071787064.db2.gz WLYQDZWPZKYCDE-KNQAVFIVSA-N 2 1 489.690 1.497 20 0 JDADMP COCC[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001504861381 1071798724 /nfs/dbraw/zinc/79/87/24/1071798724.db2.gz NHGSJIUBNWMYKW-UXHICEINSA-N 2 1 493.653 1.449 20 0 JDADMP COCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001504861381 1071798735 /nfs/dbraw/zinc/79/87/35/1071798735.db2.gz NHGSJIUBNWMYKW-UXHICEINSA-N 2 1 493.653 1.449 20 0 JDADMP COCC[NH+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001504861381 1071798745 /nfs/dbraw/zinc/79/87/45/1071798745.db2.gz NHGSJIUBNWMYKW-UXHICEINSA-N 2 1 493.653 1.449 20 0 JDADMP COCC[NH+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001504861381 1071798755 /nfs/dbraw/zinc/79/87/55/1071798755.db2.gz NHGSJIUBNWMYKW-UXHICEINSA-N 2 1 493.653 1.449 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001504901833 1071834878 /nfs/dbraw/zinc/83/48/78/1071834878.db2.gz CIVITCDAXZYICN-UHFFFAOYSA-N 2 1 470.622 1.816 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001504904719 1071844912 /nfs/dbraw/zinc/84/49/12/1071844912.db2.gz QAQDSVLTADWQGZ-MSOLQXFVSA-N 2 1 478.041 1.969 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001504904960 1071845363 /nfs/dbraw/zinc/84/53/63/1071845363.db2.gz HVMXXZHHZSBTPD-SFTDATJTSA-N 2 1 461.655 1.793 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001504904955 1071845384 /nfs/dbraw/zinc/84/53/84/1071845384.db2.gz HVMXXZHHZSBTPD-RTWAWAEBSA-N 2 1 461.655 1.793 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001504904945 1071845442 /nfs/dbraw/zinc/84/54/42/1071845442.db2.gz HVMXXZHHZSBTPD-LEWJYISDSA-N 2 1 461.655 1.793 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001504905007 1071845952 /nfs/dbraw/zinc/84/59/52/1071845952.db2.gz QXJNOCXADRWOPE-PMACEKPBSA-N 2 1 470.622 1.814 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001504905007 1071845960 /nfs/dbraw/zinc/84/59/60/1071845960.db2.gz QXJNOCXADRWOPE-PMACEKPBSA-N 2 1 470.622 1.814 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001504905020 1071846048 /nfs/dbraw/zinc/84/60/48/1071846048.db2.gz QXJNOCXADRWOPE-WOJBJXKFSA-N 2 1 470.622 1.814 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001504905020 1071846052 /nfs/dbraw/zinc/84/60/52/1071846052.db2.gz QXJNOCXADRWOPE-WOJBJXKFSA-N 2 1 470.622 1.814 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCOCC2)C[C@H]1C ZINC001504909299 1071860258 /nfs/dbraw/zinc/86/02/58/1071860258.db2.gz BZYQCLPFJXWMRL-QGZVFWFLSA-N 2 1 496.454 1.915 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001504914408 1071874874 /nfs/dbraw/zinc/87/48/74/1071874874.db2.gz OZCPUEZCQAWJIV-NRFANRHFSA-N 2 1 456.570 1.889 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001504917071 1071882627 /nfs/dbraw/zinc/88/26/27/1071882627.db2.gz IQPKJIFCERRSPB-PZJWPPBQSA-N 2 1 455.607 1.518 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001504917071 1071882629 /nfs/dbraw/zinc/88/26/29/1071882629.db2.gz IQPKJIFCERRSPB-PZJWPPBQSA-N 2 1 455.607 1.518 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001504917376 1071883143 /nfs/dbraw/zinc/88/31/43/1071883143.db2.gz LDDMHIMWHFXPIO-NRFANRHFSA-N 2 1 461.655 1.756 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504917726 1071883624 /nfs/dbraw/zinc/88/36/24/1071883624.db2.gz WLKIAQKLIKNSGW-CTNGQTDRSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001504916596 1071881165 /nfs/dbraw/zinc/88/11/65/1071881165.db2.gz HPKCFFWXZMHSST-ROUUACIJSA-N 2 1 468.606 1.299 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001504919888 1071891059 /nfs/dbraw/zinc/89/10/59/1071891059.db2.gz LMNQMHAPINLQRZ-HXUWFJFHSA-N 2 1 463.671 1.578 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001504919888 1071891070 /nfs/dbraw/zinc/89/10/70/1071891070.db2.gz LMNQMHAPINLQRZ-HXUWFJFHSA-N 2 1 463.671 1.578 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001504920958 1071893919 /nfs/dbraw/zinc/89/39/19/1071893919.db2.gz SNZMGJYXEDXWJE-PMACEKPBSA-N 2 1 464.655 1.828 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001504921348 1071895539 /nfs/dbraw/zinc/89/55/39/1071895539.db2.gz WMAYPMCFFCMMIW-PMACEKPBSA-N 2 1 450.628 1.174 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001504922359 1071897938 /nfs/dbraw/zinc/89/79/38/1071897938.db2.gz ILNWHYQWISFZDO-OYRHEFFESA-N 2 1 457.623 1.532 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001504922359 1071897942 /nfs/dbraw/zinc/89/79/42/1071897942.db2.gz ILNWHYQWISFZDO-OYRHEFFESA-N 2 1 457.623 1.532 20 0 JDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001503618339 1071904895 /nfs/dbraw/zinc/90/48/95/1071904895.db2.gz GZNRUTWPDCBDQS-FQEVSTJZSA-N 2 1 457.623 1.734 20 0 JDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001503618339 1071904898 /nfs/dbraw/zinc/90/48/98/1071904898.db2.gz GZNRUTWPDCBDQS-FQEVSTJZSA-N 2 1 457.623 1.734 20 0 JDADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001503618339 1071904901 /nfs/dbraw/zinc/90/49/01/1071904901.db2.gz GZNRUTWPDCBDQS-FQEVSTJZSA-N 2 1 457.623 1.734 20 0 JDADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001503618339 1071904929 /nfs/dbraw/zinc/90/49/29/1071904929.db2.gz GZNRUTWPDCBDQS-FQEVSTJZSA-N 2 1 457.623 1.734 20 0 JDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CC1)[NH+](C)C ZINC001503618609 1071905525 /nfs/dbraw/zinc/90/55/25/1071905525.db2.gz KKKYNFLFMLYRBP-LJQANCHMSA-N 2 1 470.622 1.813 20 0 JDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CC1)[NH+](C)C ZINC001503618609 1071905532 /nfs/dbraw/zinc/90/55/32/1071905532.db2.gz KKKYNFLFMLYRBP-LJQANCHMSA-N 2 1 470.622 1.813 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001504924442 1071908258 /nfs/dbraw/zinc/90/82/58/1071908258.db2.gz WNDCHEHAIQXFBL-FCHUYYIVSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001504924442 1071908266 /nfs/dbraw/zinc/90/82/66/1071908266.db2.gz WNDCHEHAIQXFBL-FCHUYYIVSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001504924442 1071908271 /nfs/dbraw/zinc/90/82/71/1071908271.db2.gz WNDCHEHAIQXFBL-FCHUYYIVSA-N 2 1 475.682 1.925 20 0 JDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCCC1 ZINC001503619554 1071909011 /nfs/dbraw/zinc/90/90/11/1071909011.db2.gz URYIKJFWZRFRTC-UHFFFAOYSA-N 2 1 461.655 1.936 20 0 JDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCCC1 ZINC001503619554 1071909031 /nfs/dbraw/zinc/90/90/31/1071909031.db2.gz URYIKJFWZRFRTC-UHFFFAOYSA-N 2 1 461.655 1.936 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H]2C)C[C@H]1C ZINC001504924713 1071909856 /nfs/dbraw/zinc/90/98/56/1071909856.db2.gz FFPGOOCCRZWWJL-RBUKOAKNSA-N 2 1 475.663 1.911 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001504924713 1071909865 /nfs/dbraw/zinc/90/98/65/1071909865.db2.gz FFPGOOCCRZWWJL-RBUKOAKNSA-N 2 1 475.663 1.911 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001504924713 1071909875 /nfs/dbraw/zinc/90/98/75/1071909875.db2.gz FFPGOOCCRZWWJL-RBUKOAKNSA-N 2 1 475.663 1.911 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H]2C)C[C@H]1C ZINC001504924714 1071909939 /nfs/dbraw/zinc/90/99/39/1071909939.db2.gz FFPGOOCCRZWWJL-RTBURBONSA-N 2 1 475.663 1.911 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001504924714 1071909956 /nfs/dbraw/zinc/90/99/56/1071909956.db2.gz FFPGOOCCRZWWJL-RTBURBONSA-N 2 1 475.663 1.911 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001504924714 1071909970 /nfs/dbraw/zinc/90/99/70/1071909970.db2.gz FFPGOOCCRZWWJL-RTBURBONSA-N 2 1 475.663 1.911 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001504946801 1071989934 /nfs/dbraw/zinc/98/99/34/1071989934.db2.gz QUQFHLXRUQZMHC-YPAWHYETSA-N 2 1 494.681 1.394 20 0 JDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCOC(C)(C)C2)CC1 ZINC001503684108 1072016954 /nfs/dbraw/zinc/01/69/54/1072016954.db2.gz YKAKCOSBWAXRLG-IBGZPJMESA-N 2 1 461.655 1.429 20 0 JDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCOC(C)(C)C2)CC1 ZINC001503684108 1072016970 /nfs/dbraw/zinc/01/69/70/1072016970.db2.gz YKAKCOSBWAXRLG-IBGZPJMESA-N 2 1 461.655 1.429 20 0 JDADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001503684108 1072016980 /nfs/dbraw/zinc/01/69/80/1072016980.db2.gz YKAKCOSBWAXRLG-IBGZPJMESA-N 2 1 461.655 1.429 20 0 JDADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001503684108 1072016992 /nfs/dbraw/zinc/01/69/92/1072016992.db2.gz YKAKCOSBWAXRLG-IBGZPJMESA-N 2 1 461.655 1.429 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001504994795 1072063618 /nfs/dbraw/zinc/06/36/18/1072063618.db2.gz KPADTUBTPKXTGU-XMSQKQJNSA-N 2 1 464.636 1.452 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504994795 1072063623 /nfs/dbraw/zinc/06/36/23/1072063623.db2.gz KPADTUBTPKXTGU-XMSQKQJNSA-N 2 1 464.636 1.452 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001504997406 1072070948 /nfs/dbraw/zinc/07/09/48/1072070948.db2.gz JACWOTPJMJUNEC-NHCUHLMSSA-N 2 1 450.628 1.645 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001504997406 1072070951 /nfs/dbraw/zinc/07/09/51/1072070951.db2.gz JACWOTPJMJUNEC-NHCUHLMSSA-N 2 1 450.628 1.645 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001504997415 1072070977 /nfs/dbraw/zinc/07/09/77/1072070977.db2.gz JACWOTPJMJUNEC-SFTDATJTSA-N 2 1 450.628 1.645 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001504997415 1072070979 /nfs/dbraw/zinc/07/09/79/1072070979.db2.gz JACWOTPJMJUNEC-SFTDATJTSA-N 2 1 450.628 1.645 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001504997411 1072071016 /nfs/dbraw/zinc/07/10/16/1072071016.db2.gz JACWOTPJMJUNEC-RTWAWAEBSA-N 2 1 450.628 1.645 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001504997411 1072071021 /nfs/dbraw/zinc/07/10/21/1072071021.db2.gz JACWOTPJMJUNEC-RTWAWAEBSA-N 2 1 450.628 1.645 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001504997402 1072071032 /nfs/dbraw/zinc/07/10/32/1072071032.db2.gz JACWOTPJMJUNEC-LEWJYISDSA-N 2 1 450.628 1.645 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001504997402 1072071038 /nfs/dbraw/zinc/07/10/38/1072071038.db2.gz JACWOTPJMJUNEC-LEWJYISDSA-N 2 1 450.628 1.645 20 0 JDADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001505069680 1072175580 /nfs/dbraw/zinc/17/55/80/1072175580.db2.gz GKHBGJYLLJFJFI-MZLICYQSSA-N 2 1 464.655 1.891 20 0 JDADMP CON(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001505098051 1072233292 /nfs/dbraw/zinc/23/32/92/1072233292.db2.gz KKIZCHFEAXPNHM-HSZRJFAPSA-N 2 1 471.650 1.997 20 0 JDADMP C[NH+]1CCN([C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c2ccccc2)CC1 ZINC001464889139 1067685986 /nfs/dbraw/zinc/68/59/86/1067685986.db2.gz BRSUGGACDGLUCF-DEOSSOPVSA-N 2 1 455.647 1.816 20 0 JDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC001465471913 1067803170 /nfs/dbraw/zinc/80/31/70/1067803170.db2.gz DCEHZVULBFIWKE-IFMALSPDSA-N 2 1 457.619 1.584 20 0 JDADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC1=O ZINC001465471913 1067803177 /nfs/dbraw/zinc/80/31/77/1067803177.db2.gz DCEHZVULBFIWKE-IFMALSPDSA-N 2 1 457.619 1.584 20 0 JDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC1=O ZINC001465471913 1067803180 /nfs/dbraw/zinc/80/31/80/1067803180.db2.gz DCEHZVULBFIWKE-IFMALSPDSA-N 2 1 457.619 1.584 20 0 JDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CCC([NH+]4CCN(C)CC4)CC3)cc2)CC1 ZINC001465804342 1067832046 /nfs/dbraw/zinc/83/20/46/1067832046.db2.gz LLKDQVUKHGDJIE-UHFFFAOYSA-N 2 1 456.635 1.637 20 0 JDADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc21 ZINC001466130949 1067862920 /nfs/dbraw/zinc/86/29/20/1067862920.db2.gz CMWRPLYCFZWSOZ-LEWJYISDSA-N 2 1 451.571 1.916 20 0 JDADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)cc2)CC1 ZINC001467877541 1068082434 /nfs/dbraw/zinc/08/24/34/1068082434.db2.gz WCCSNCMCAHTPSL-PKTZIBPZSA-N 2 1 457.619 1.641 20 0 JDADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)cc2)CC1 ZINC001467877543 1068082807 /nfs/dbraw/zinc/08/28/07/1068082807.db2.gz WCCSNCMCAHTPSL-XZOQPEGZSA-N 2 1 457.619 1.641 20 0 JDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001467906942 1068091800 /nfs/dbraw/zinc/09/18/00/1068091800.db2.gz KRVQWTBGBQDLRC-RUZDIDTESA-N 2 1 452.603 1.612 20 0 JDADMP CC1(C)C[N@@H+](C2(CNC(=O)NCC3([NH+]4CCOCC4)CCOCC3)CCCCC2)CCO1 ZINC001468722124 1068355707 /nfs/dbraw/zinc/35/57/07/1068355707.db2.gz UMCFTALVCPBWGK-UHFFFAOYSA-N 2 1 452.640 1.981 20 0 JDADMP CC1(C)C[N@H+](C2(CNC(=O)NCC3([NH+]4CCOCC4)CCOCC3)CCCCC2)CCO1 ZINC001468722124 1068355728 /nfs/dbraw/zinc/35/57/28/1068355728.db2.gz UMCFTALVCPBWGK-UHFFFAOYSA-N 2 1 452.640 1.981 20 0 JDADMP O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001468744721 1068360604 /nfs/dbraw/zinc/36/06/04/1068360604.db2.gz VOZRGFVXLBHCKF-QHCPKHFHSA-N 2 1 459.635 1.109 20 0 JDADMP O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001468744720 1068361110 /nfs/dbraw/zinc/36/11/10/1068361110.db2.gz VOZRGFVXLBHCKF-HSZRJFAPSA-N 2 1 459.635 1.109 20 0 JDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001468949927 1068403295 /nfs/dbraw/zinc/40/32/95/1068403295.db2.gz FNPQQRXICZOSMO-VJBWXMMDSA-N 2 1 457.667 1.792 20 0 JDADMP C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001470120804 1068704173 /nfs/dbraw/zinc/70/41/73/1068704173.db2.gz IEARFYWBSWLLJN-QFIPXVFZSA-N 2 1 459.635 1.755 20 0 JDADMP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001470626916 1068795836 /nfs/dbraw/zinc/79/58/36/1068795836.db2.gz VXAKVKFUGXQJGS-UHFFFAOYSA-N 2 1 452.621 1.162 20 0 JDADMP C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC001470772711 1068808588 /nfs/dbraw/zinc/80/85/88/1068808588.db2.gz LVFXQNLSPZCWLZ-RBUKOAKNSA-N 2 1 450.603 1.752 20 0 JDADMP C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC001470772711 1068808590 /nfs/dbraw/zinc/80/85/90/1068808590.db2.gz LVFXQNLSPZCWLZ-RBUKOAKNSA-N 2 1 450.603 1.752 20 0 JDADMP CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001499462710 1069004259 /nfs/dbraw/zinc/00/42/59/1069004259.db2.gz IRLRYBPDRIKKGT-RTWAWAEBSA-N 2 1 461.655 1.839 20 0 JDADMP CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001499462710 1069004271 /nfs/dbraw/zinc/00/42/71/1069004271.db2.gz IRLRYBPDRIKKGT-RTWAWAEBSA-N 2 1 461.655 1.839 20 0 JDADMP CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC001499637415 1069020648 /nfs/dbraw/zinc/02/06/48/1069020648.db2.gz CLDLHWGEADBUFM-NRFANRHFSA-N 2 1 491.681 1.296 20 0 JDADMP CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1CCOC ZINC001499639711 1069021684 /nfs/dbraw/zinc/02/16/84/1069021684.db2.gz PYENPJNVHNCLBU-FGZHOGPDSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1CCOC ZINC001499639711 1069021699 /nfs/dbraw/zinc/02/16/99/1069021699.db2.gz PYENPJNVHNCLBU-FGZHOGPDSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1CCOC ZINC001499639711 1069021719 /nfs/dbraw/zinc/02/17/19/1069021719.db2.gz PYENPJNVHNCLBU-FGZHOGPDSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC001499642511 1069024086 /nfs/dbraw/zinc/02/40/86/1069024086.db2.gz NZXYKERRYMLHTH-IBGZPJMESA-N 2 1 481.711 1.791 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCC(C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC001499660950 1069033663 /nfs/dbraw/zinc/03/36/63/1069033663.db2.gz RJVWSNFERAZLRQ-PWRODBHTSA-N 2 1 497.710 1.167 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499718974 1069048735 /nfs/dbraw/zinc/04/87/35/1069048735.db2.gz DJRRCNWQXCVSDK-WOJBJXKFSA-N 2 1 458.611 1.250 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499719948 1069049810 /nfs/dbraw/zinc/04/98/10/1069049810.db2.gz RAARICJAPJKEIT-LJQANCHMSA-N 2 1 458.611 1.393 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499719948 1069049811 /nfs/dbraw/zinc/04/98/11/1069049811.db2.gz RAARICJAPJKEIT-LJQANCHMSA-N 2 1 458.611 1.393 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001499719525 1069049821 /nfs/dbraw/zinc/04/98/21/1069049821.db2.gz KFKRVQQBIDALCS-FQEVSTJZSA-N 2 1 460.627 1.336 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001499719525 1069049822 /nfs/dbraw/zinc/04/98/22/1069049822.db2.gz KFKRVQQBIDALCS-FQEVSTJZSA-N 2 1 460.627 1.336 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001499719525 1069049823 /nfs/dbraw/zinc/04/98/23/1069049823.db2.gz KFKRVQQBIDALCS-FQEVSTJZSA-N 2 1 460.627 1.336 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001499719525 1069049824 /nfs/dbraw/zinc/04/98/24/1069049824.db2.gz KFKRVQQBIDALCS-FQEVSTJZSA-N 2 1 460.627 1.336 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001499723083 1069053067 /nfs/dbraw/zinc/05/30/67/1069053067.db2.gz SJCVOCKKERIFMH-ANULTFPQSA-N 2 1 461.655 1.753 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001499723085 1069054118 /nfs/dbraw/zinc/05/41/18/1069054118.db2.gz SJCVOCKKERIFMH-IVAOSVALSA-N 2 1 461.655 1.753 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001499723279 1069054201 /nfs/dbraw/zinc/05/42/01/1069054201.db2.gz VZCIOTOSTSISLQ-NJYVYQBISA-N 2 1 461.655 1.897 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001499723277 1069054208 /nfs/dbraw/zinc/05/42/08/1069054208.db2.gz VZCIOTOSTSISLQ-HBMCJLEFSA-N 2 1 461.655 1.897 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001499723280 1069054213 /nfs/dbraw/zinc/05/42/13/1069054213.db2.gz VZCIOTOSTSISLQ-PWRODBHTSA-N 2 1 461.655 1.897 20 0 JDADMP CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCOCC2)CC[N@H+]1CCOC ZINC001499761508 1069076923 /nfs/dbraw/zinc/07/69/23/1069076923.db2.gz DQVPWGIJKMAMJG-QFIPXVFZSA-N 2 1 471.650 1.922 20 0 JDADMP Cc1cc(N2CC[C@@H]([NH+]3CCC(C(=O)NCC[N@H+](C)Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC001473198429 1069093225 /nfs/dbraw/zinc/09/32/25/1069093225.db2.gz NBTJAPDYCBSPQG-JOCHJYFZSA-N 2 1 452.603 1.794 20 0 JDADMP Cc1cc(N2CC[C@@H]([NH+]3CCC(C(=O)NCC[N@@H+](C)Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC001473198429 1069093245 /nfs/dbraw/zinc/09/32/45/1069093245.db2.gz NBTJAPDYCBSPQG-JOCHJYFZSA-N 2 1 452.603 1.794 20 0 JDADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001473461617 1069155671 /nfs/dbraw/zinc/15/56/71/1069155671.db2.gz BMDIOUXLFCZLTH-BNDVRQRFSA-N 2 1 458.628 1.858 20 0 JDADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001473461617 1069155691 /nfs/dbraw/zinc/15/56/91/1069155691.db2.gz BMDIOUXLFCZLTH-BNDVRQRFSA-N 2 1 458.628 1.858 20 0 JDADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001473558850 1069180499 /nfs/dbraw/zinc/18/04/99/1069180499.db2.gz BMXGCUSBDDCNLX-UHFFFAOYSA-N 2 1 451.656 1.948 20 0 JDADMP CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCC[C@@H]2C)CC[N@H+]1CCOC ZINC001500223869 1069217811 /nfs/dbraw/zinc/21/78/11/1069217811.db2.gz NTAUPZLUNCQSGH-LEWJYISDSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCOC ZINC001500223869 1069217820 /nfs/dbraw/zinc/21/78/20/1069217820.db2.gz NTAUPZLUNCQSGH-LEWJYISDSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@@H]2C)CC[NH+]1CCOC ZINC001500223869 1069217831 /nfs/dbraw/zinc/21/78/31/1069217831.db2.gz NTAUPZLUNCQSGH-LEWJYISDSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCC[C@@H]2C)CC[N@H+]1CCOC ZINC001500223872 1069218632 /nfs/dbraw/zinc/21/86/32/1069218632.db2.gz NTAUPZLUNCQSGH-SFTDATJTSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCOC ZINC001500223872 1069218648 /nfs/dbraw/zinc/21/86/48/1069218648.db2.gz NTAUPZLUNCQSGH-SFTDATJTSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@@H]2C)CC[NH+]1CCOC ZINC001500223872 1069218662 /nfs/dbraw/zinc/21/86/62/1069218662.db2.gz NTAUPZLUNCQSGH-SFTDATJTSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001500270117 1069231560 /nfs/dbraw/zinc/23/15/60/1069231560.db2.gz XDDSKYFBELLGDZ-FGZHOGPDSA-N 2 1 477.698 1.745 20 0 JDADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270117 1069231570 /nfs/dbraw/zinc/23/15/70/1069231570.db2.gz XDDSKYFBELLGDZ-FGZHOGPDSA-N 2 1 477.698 1.745 20 0 JDADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270117 1069231581 /nfs/dbraw/zinc/23/15/81/1069231581.db2.gz XDDSKYFBELLGDZ-FGZHOGPDSA-N 2 1 477.698 1.745 20 0 JDADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+]Cc3cccc(S(C)(=O)=O)c3)cc2)CC1 ZINC001473974564 1069238330 /nfs/dbraw/zinc/23/83/30/1069238330.db2.gz MKIRDNNYLHCVAR-UHFFFAOYSA-N 2 1 459.612 1.965 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001500703215 1069298799 /nfs/dbraw/zinc/29/87/99/1069298799.db2.gz OEEJRSJFVDNKND-YADHBBJMSA-N 2 1 474.698 1.708 20 0 JDADMP CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]3CCC[N@H+]3CC)ccc2O1 ZINC001474915149 1069303790 /nfs/dbraw/zinc/30/37/90/1069303790.db2.gz NVXNMFODGZSYAS-RXVVDRJESA-N 2 1 453.605 1.590 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC001500725611 1069305855 /nfs/dbraw/zinc/30/58/55/1069305855.db2.gz QCQHJASMAIJOKL-NRFANRHFSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001500725611 1069305870 /nfs/dbraw/zinc/30/58/70/1069305870.db2.gz QCQHJASMAIJOKL-NRFANRHFSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001500725611 1069305886 /nfs/dbraw/zinc/30/58/86/1069305886.db2.gz QCQHJASMAIJOKL-NRFANRHFSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C)C(C)(C)C2)C1 ZINC001500725611 1069305901 /nfs/dbraw/zinc/30/59/01/1069305901.db2.gz QCQHJASMAIJOKL-NRFANRHFSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C)C(C)(C)C2)C1 ZINC001500725611 1069305916 /nfs/dbraw/zinc/30/59/16/1069305916.db2.gz QCQHJASMAIJOKL-NRFANRHFSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001500725611 1069305931 /nfs/dbraw/zinc/30/59/31/1069305931.db2.gz QCQHJASMAIJOKL-NRFANRHFSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001500725611 1069305951 /nfs/dbraw/zinc/30/59/51/1069305951.db2.gz QCQHJASMAIJOKL-NRFANRHFSA-N 2 1 474.698 1.595 20 0 JDADMP CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC[NH+](C)CC1 ZINC001505188603 1072407178 /nfs/dbraw/zinc/40/71/78/1072407178.db2.gz VQFJOPDYLWOWHD-OKZBNKHCSA-N 2 1 485.724 1.389 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC001505290270 1072475931 /nfs/dbraw/zinc/47/59/31/1072475931.db2.gz NTDBLTPQEQBXNC-XQBPLPMBSA-N 2 1 469.634 1.885 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC001505290270 1072475937 /nfs/dbraw/zinc/47/59/37/1072475937.db2.gz NTDBLTPQEQBXNC-XQBPLPMBSA-N 2 1 469.634 1.885 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]2C)CC1 ZINC001508233677 1073001961 /nfs/dbraw/zinc/00/19/61/1073001961.db2.gz RCMDSPZMLKVIJX-NLFFAJNJSA-N 2 1 483.661 1.954 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@@H]2C)CC1 ZINC001508234411 1073004057 /nfs/dbraw/zinc/00/40/57/1073004057.db2.gz VCJMGRRLPZUGEA-SIKLNZKXSA-N 2 1 483.665 1.702 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508274679 1073044398 /nfs/dbraw/zinc/04/43/98/1073044398.db2.gz QZBZDEBCNXXLRF-PZJWPPBQSA-N 2 1 476.670 1.135 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508274679 1073044406 /nfs/dbraw/zinc/04/44/06/1073044406.db2.gz QZBZDEBCNXXLRF-PZJWPPBQSA-N 2 1 476.670 1.135 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001508275411 1073046244 /nfs/dbraw/zinc/04/62/44/1073046244.db2.gz TVGKLDLZFSPEOC-YMPZKCBVSA-N 2 1 475.682 1.890 20 0 JDADMP CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001509116559 1073506107 /nfs/dbraw/zinc/50/61/07/1073506107.db2.gz CRONZMXKRZOGOE-PCCBWWKXSA-N 2 1 461.655 1.849 20 0 JDADMP CC(C)Cc1nnc(N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001509254348 1073547694 /nfs/dbraw/zinc/54/76/94/1073547694.db2.gz KFWYCLVTNJCHFQ-AREMUKBSSA-N 2 1 469.678 1.797 20 0 JDADMP CC(C)Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001509254348 1073547710 /nfs/dbraw/zinc/54/77/10/1073547710.db2.gz KFWYCLVTNJCHFQ-AREMUKBSSA-N 2 1 469.678 1.797 20 0 JDADMP CC(C)Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001509254348 1073547731 /nfs/dbraw/zinc/54/77/31/1073547731.db2.gz KFWYCLVTNJCHFQ-AREMUKBSSA-N 2 1 469.678 1.797 20 0 JDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001509431951 1073609943 /nfs/dbraw/zinc/60/99/43/1073609943.db2.gz GBWJNSNIKGOBPP-VQTJNVASSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001509431951 1073609950 /nfs/dbraw/zinc/60/99/50/1073609950.db2.gz GBWJNSNIKGOBPP-VQTJNVASSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001509431951 1073609957 /nfs/dbraw/zinc/60/99/57/1073609957.db2.gz GBWJNSNIKGOBPP-VQTJNVASSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001509518431 1073662008 /nfs/dbraw/zinc/66/20/08/1073662008.db2.gz MEPOVAGEMMIOIB-HXUWFJFHSA-N 2 1 485.699 1.262 20 0 JDADMP CC(C)[NH+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001509518431 1073662015 /nfs/dbraw/zinc/66/20/15/1073662015.db2.gz MEPOVAGEMMIOIB-HXUWFJFHSA-N 2 1 485.699 1.262 20 0 JDADMP CC(C)[NH+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001509518431 1073662028 /nfs/dbraw/zinc/66/20/28/1073662028.db2.gz MEPOVAGEMMIOIB-HXUWFJFHSA-N 2 1 485.699 1.262 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001509518579 1073662054 /nfs/dbraw/zinc/66/20/54/1073662054.db2.gz OBKLGPCJYVTZKB-NRFANRHFSA-N 2 1 497.710 1.406 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC001509563653 1073685425 /nfs/dbraw/zinc/68/54/25/1073685425.db2.gz QCRDIBHDXVJLHR-UHFFFAOYSA-N 2 1 460.671 1.347 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001509563653 1073685439 /nfs/dbraw/zinc/68/54/39/1073685439.db2.gz QCRDIBHDXVJLHR-UHFFFAOYSA-N 2 1 460.671 1.347 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001509563653 1073685450 /nfs/dbraw/zinc/68/54/50/1073685450.db2.gz QCRDIBHDXVJLHR-UHFFFAOYSA-N 2 1 460.671 1.347 20 0 JDADMP CC(C)[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C)C(C)(C)C2)CC1 ZINC001509563653 1073685458 /nfs/dbraw/zinc/68/54/58/1073685458.db2.gz QCRDIBHDXVJLHR-UHFFFAOYSA-N 2 1 460.671 1.347 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C)C(C)(C)C2)CC1 ZINC001509563653 1073685473 /nfs/dbraw/zinc/68/54/73/1073685473.db2.gz QCRDIBHDXVJLHR-UHFFFAOYSA-N 2 1 460.671 1.347 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001509563653 1073685484 /nfs/dbraw/zinc/68/54/84/1073685484.db2.gz QCRDIBHDXVJLHR-UHFFFAOYSA-N 2 1 460.671 1.347 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001509563653 1073685494 /nfs/dbraw/zinc/68/54/94/1073685494.db2.gz QCRDIBHDXVJLHR-UHFFFAOYSA-N 2 1 460.671 1.347 20 0 JDADMP CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001509571755 1073690971 /nfs/dbraw/zinc/69/09/71/1073690971.db2.gz FMNQSSAAQWDJKD-NRFANRHFSA-N 2 1 490.674 1.726 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164405556 718863777 /nfs/dbraw/zinc/86/37/77/718863777.db2.gz FAQFRKXNZDHNEC-WIYYLYMNSA-N 2 1 487.674 1.090 20 0 JDADMP CC(C)(C)C(=O)Nc1ccnc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164414971 718885215 /nfs/dbraw/zinc/88/52/15/718885215.db2.gz BXWIJKUYSMAEDE-GOSISDBHSA-N 2 1 482.633 1.571 20 0 JDADMP CC(C)(C)C(=O)Nc1ccnc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164414971 718885216 /nfs/dbraw/zinc/88/52/16/718885216.db2.gz BXWIJKUYSMAEDE-GOSISDBHSA-N 2 1 482.633 1.571 20 0 JDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164617186 719016127 /nfs/dbraw/zinc/01/61/27/719016127.db2.gz MXVGGAACUFZFQH-SGLNWRHMSA-N 2 1 473.618 1.610 20 0 JDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164617186 719016134 /nfs/dbraw/zinc/01/61/34/719016134.db2.gz MXVGGAACUFZFQH-SGLNWRHMSA-N 2 1 473.618 1.610 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H](CF)[C@H](C5([NH3+])CC5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164624172 719121534 /nfs/dbraw/zinc/12/15/34/719121534.db2.gz UHKOBSASBDSAHY-IEBWSBKVSA-N 2 1 489.665 1.789 20 0 JDADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164714551 720136817 /nfs/dbraw/zinc/13/68/17/720136817.db2.gz XEJLHORAOPQAEL-NRFANRHFSA-N 2 1 479.629 1.819 20 0 JDADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164714551 720136829 /nfs/dbraw/zinc/13/68/29/720136829.db2.gz XEJLHORAOPQAEL-NRFANRHFSA-N 2 1 479.629 1.819 20 0 JDADMP Cn1nnc2c1CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714584 720203979 /nfs/dbraw/zinc/20/39/79/720203979.db2.gz GWNDHSIHGABPEH-JOCHJYFZSA-N 2 1 455.607 1.899 20 0 JDADMP CCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164747453 720838026 /nfs/dbraw/zinc/83/80/26/720838026.db2.gz QNJWMSFCDRHYIQ-CEMLEFRQSA-N 2 1 452.607 1.847 20 0 JDADMP CCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164747453 720838030 /nfs/dbraw/zinc/83/80/30/720838030.db2.gz QNJWMSFCDRHYIQ-CEMLEFRQSA-N 2 1 452.607 1.847 20 0 JDADMP CCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164747456 720838482 /nfs/dbraw/zinc/83/84/82/720838482.db2.gz QNJWMSFCDRHYIQ-ILWGZMRPSA-N 2 1 452.607 1.847 20 0 JDADMP CCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164747456 720838484 /nfs/dbraw/zinc/83/84/84/720838484.db2.gz QNJWMSFCDRHYIQ-ILWGZMRPSA-N 2 1 452.607 1.847 20 0 JDADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164790592 721465226 /nfs/dbraw/zinc/46/52/26/721465226.db2.gz RTDHLBGYZATRSO-NRFANRHFSA-N 2 1 486.661 1.650 20 0 JDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164790592 721465227 /nfs/dbraw/zinc/46/52/27/721465227.db2.gz RTDHLBGYZATRSO-NRFANRHFSA-N 2 1 486.661 1.650 20 0 JDADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001164908476 721744862 /nfs/dbraw/zinc/74/48/62/721744862.db2.gz KGENFEXEIOWXOZ-UHFFFAOYSA-N 2 1 482.610 1.751 20 0 JDADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001164908476 721744866 /nfs/dbraw/zinc/74/48/66/721744866.db2.gz KGENFEXEIOWXOZ-UHFFFAOYSA-N 2 1 482.610 1.751 20 0 JDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001165017800 721799674 /nfs/dbraw/zinc/79/96/74/721799674.db2.gz ASBJJPQSURVDTH-PIPMEXSNSA-N 2 1 470.643 1.700 20 0 JDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]21 ZINC001165017802 721799924 /nfs/dbraw/zinc/79/99/24/721799924.db2.gz ASBJJPQSURVDTH-UCNVEGJOSA-N 2 1 470.643 1.700 20 0 JDADMP Cc1nc(CN2CCOC[C@@]3(CN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)CCO3)C2)cs1 ZINC001164920404 721829960 /nfs/dbraw/zinc/82/99/60/721829960.db2.gz CVQXOSCNPFXOQH-QFIPXVFZSA-N 2 1 459.620 1.277 20 0 JDADMP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@H]3C2)c1 ZINC001164985425 722137176 /nfs/dbraw/zinc/13/71/76/722137176.db2.gz ZKLBPSJODFIUCV-SIKLNZKXSA-N 2 1 451.575 1.039 20 0 JDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@H]3C2)c1 ZINC001164985425 722137178 /nfs/dbraw/zinc/13/71/78/722137178.db2.gz ZKLBPSJODFIUCV-SIKLNZKXSA-N 2 1 451.575 1.039 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001500783880 1069310646 /nfs/dbraw/zinc/31/06/46/1069310646.db2.gz DIAPGNBFTJHIPT-OAQYLSRUSA-N 2 1 454.623 1.815 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001500783880 1069310661 /nfs/dbraw/zinc/31/06/61/1069310661.db2.gz DIAPGNBFTJHIPT-OAQYLSRUSA-N 2 1 454.623 1.815 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001500783880 1069310676 /nfs/dbraw/zinc/31/06/76/1069310676.db2.gz DIAPGNBFTJHIPT-OAQYLSRUSA-N 2 1 454.623 1.815 20 0 JDADMP CCC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001500921808 1069330312 /nfs/dbraw/zinc/33/03/12/1069330312.db2.gz LOERKPHFPSPMBK-RTBURBONSA-N 2 1 455.673 1.398 20 0 JDADMP CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001500921806 1069330474 /nfs/dbraw/zinc/33/04/74/1069330474.db2.gz LOERKPHFPSPMBK-OALUTQOASA-N 2 1 455.673 1.398 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001500965481 1069342378 /nfs/dbraw/zinc/34/23/78/1069342378.db2.gz CTNYOTHDZMLUFR-BJKOFHAPSA-N 2 1 464.655 1.696 20 0 JDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC001475044405 1069343662 /nfs/dbraw/zinc/34/36/62/1069343662.db2.gz AZVILUVTBNNDET-UHFFFAOYSA-N 2 1 458.650 1.151 20 0 JDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001476059940 1069594001 /nfs/dbraw/zinc/59/40/01/1069594001.db2.gz VEUXXCJNDSBCSP-WOJBJXKFSA-N 3 1 460.623 1.286 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001501766942 1069618284 /nfs/dbraw/zinc/61/82/84/1069618284.db2.gz GAUYGUTYXOVWFT-FQEVSTJZSA-N 2 1 476.670 1.281 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001501766942 1069618322 /nfs/dbraw/zinc/61/83/22/1069618322.db2.gz GAUYGUTYXOVWFT-FQEVSTJZSA-N 2 1 476.670 1.281 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001501766942 1069618335 /nfs/dbraw/zinc/61/83/35/1069618335.db2.gz GAUYGUTYXOVWFT-FQEVSTJZSA-N 2 1 476.670 1.281 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001501766942 1069618364 /nfs/dbraw/zinc/61/83/64/1069618364.db2.gz GAUYGUTYXOVWFT-FQEVSTJZSA-N 2 1 476.670 1.281 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001501773885 1069633122 /nfs/dbraw/zinc/63/31/22/1069633122.db2.gz DKUXWHFBLRKYAN-NRFANRHFSA-N 2 1 485.681 1.791 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001501773885 1069633149 /nfs/dbraw/zinc/63/31/49/1069633149.db2.gz DKUXWHFBLRKYAN-NRFANRHFSA-N 2 1 485.681 1.791 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001501773885 1069633184 /nfs/dbraw/zinc/63/31/84/1069633184.db2.gz DKUXWHFBLRKYAN-NRFANRHFSA-N 2 1 485.681 1.791 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001501773885 1069633216 /nfs/dbraw/zinc/63/32/16/1069633216.db2.gz DKUXWHFBLRKYAN-NRFANRHFSA-N 2 1 485.681 1.791 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001501773886 1069633707 /nfs/dbraw/zinc/63/37/07/1069633707.db2.gz DKUXWHFBLRKYAN-OAQYLSRUSA-N 2 1 485.681 1.791 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001501773886 1069633720 /nfs/dbraw/zinc/63/37/20/1069633720.db2.gz DKUXWHFBLRKYAN-OAQYLSRUSA-N 2 1 485.681 1.791 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001501773886 1069633739 /nfs/dbraw/zinc/63/37/39/1069633739.db2.gz DKUXWHFBLRKYAN-OAQYLSRUSA-N 2 1 485.681 1.791 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001501773886 1069633752 /nfs/dbraw/zinc/63/37/52/1069633752.db2.gz DKUXWHFBLRKYAN-OAQYLSRUSA-N 2 1 485.681 1.791 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001501774856 1069640553 /nfs/dbraw/zinc/64/05/53/1069640553.db2.gz MBTKZYNXVSXLFE-PMACEKPBSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001501774856 1069640573 /nfs/dbraw/zinc/64/05/73/1069640573.db2.gz MBTKZYNXVSXLFE-PMACEKPBSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001501774856 1069640598 /nfs/dbraw/zinc/64/05/98/1069640598.db2.gz MBTKZYNXVSXLFE-PMACEKPBSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001501774577 1069638804 /nfs/dbraw/zinc/63/88/04/1069638804.db2.gz JYSBIISIHONTEM-YKSBVNFPSA-N 2 1 493.722 1.600 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001501774577 1069638821 /nfs/dbraw/zinc/63/88/21/1069638821.db2.gz JYSBIISIHONTEM-YKSBVNFPSA-N 2 1 493.722 1.600 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001501774714 1069640983 /nfs/dbraw/zinc/64/09/83/1069640983.db2.gz KYYMVKAQIHRQOA-HXUWFJFHSA-N 2 1 488.681 1.484 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001501774714 1069641029 /nfs/dbraw/zinc/64/10/29/1069641029.db2.gz KYYMVKAQIHRQOA-HXUWFJFHSA-N 2 1 488.681 1.484 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001501774858 1069639778 /nfs/dbraw/zinc/63/97/78/1069639778.db2.gz MBTKZYNXVSXLFE-VQTJNVASSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001501774858 1069639807 /nfs/dbraw/zinc/63/98/07/1069639807.db2.gz MBTKZYNXVSXLFE-VQTJNVASSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001501774858 1069639816 /nfs/dbraw/zinc/63/98/16/1069639816.db2.gz MBTKZYNXVSXLFE-VQTJNVASSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001501774858 1069639837 /nfs/dbraw/zinc/63/98/37/1069639837.db2.gz MBTKZYNXVSXLFE-VQTJNVASSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001501774856 1069640525 /nfs/dbraw/zinc/64/05/25/1069640525.db2.gz MBTKZYNXVSXLFE-PMACEKPBSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001501775206 1069644096 /nfs/dbraw/zinc/64/40/96/1069644096.db2.gz RDTSZXIYZWACMX-LEWJYISDSA-N 2 1 461.655 1.503 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001501775206 1069644107 /nfs/dbraw/zinc/64/41/07/1069644107.db2.gz RDTSZXIYZWACMX-LEWJYISDSA-N 2 1 461.655 1.503 20 0 JDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC001476234307 1069655047 /nfs/dbraw/zinc/65/50/47/1069655047.db2.gz BTEUVXYIFWJWAO-FGZHOGPDSA-N 3 1 458.651 1.596 20 0 JDADMP CCc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N(CC)CC)CC3)n2C[C@]2(O)CC[NH+](C)C2)cc1 ZINC001546209662 1069669485 /nfs/dbraw/zinc/66/94/85/1069669485.db2.gz ZSYOSPNPHDCCLD-MHZLTWQESA-N 2 1 497.688 1.955 20 0 JDADMP CCc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N(CC)CC)CC3)n2C[C@]2(O)CC[NH+](C)C2)cc1 ZINC001546209662 1069669497 /nfs/dbraw/zinc/66/94/97/1069669497.db2.gz ZSYOSPNPHDCCLD-MHZLTWQESA-N 2 1 497.688 1.955 20 0 JDADMP CCc1ccc(-c2nnc(N3CCC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001546209662 1069669507 /nfs/dbraw/zinc/66/95/07/1069669507.db2.gz ZSYOSPNPHDCCLD-MHZLTWQESA-N 2 1 497.688 1.955 20 0 JDADMP CCc1ccc(-c2nnc(N3CCC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001546209662 1069669521 /nfs/dbraw/zinc/66/95/21/1069669521.db2.gz ZSYOSPNPHDCCLD-MHZLTWQESA-N 2 1 497.688 1.955 20 0 JDADMP CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001501783572 1069674241 /nfs/dbraw/zinc/67/42/41/1069674241.db2.gz NWUJPYPPCRTSDJ-HSZRJFAPSA-N 2 1 498.676 1.687 20 0 JDADMP CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001501783565 1069674789 /nfs/dbraw/zinc/67/47/89/1069674789.db2.gz NUFHCWXRDZOWEG-IBGZPJMESA-N 2 1 456.639 1.757 20 0 JDADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001501799810 1069727376 /nfs/dbraw/zinc/72/73/76/1069727376.db2.gz YRDBSBQUJLDCCH-ICSRJNTNSA-N 2 1 457.627 1.152 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001501804345 1069733050 /nfs/dbraw/zinc/73/30/50/1069733050.db2.gz CGVSBAJHMCAWDR-HXUWFJFHSA-N 2 1 471.654 1.577 20 0 JDADMP CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC001476606924 1069754388 /nfs/dbraw/zinc/75/43/88/1069754388.db2.gz DBQMCZSXWOIRLZ-UHFFFAOYSA-N 2 1 456.433 1.601 20 0 JDADMP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCC2)CC1 ZINC001501895612 1069756461 /nfs/dbraw/zinc/75/64/61/1069756461.db2.gz INSFQAQFFPVRQH-LJQANCHMSA-N 2 1 452.669 1.977 20 0 JDADMP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001501896125 1069758174 /nfs/dbraw/zinc/75/81/74/1069758174.db2.gz YDLHWECMFTYAMY-ROUUACIJSA-N 2 1 452.669 1.974 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001501903690 1069773793 /nfs/dbraw/zinc/77/37/93/1069773793.db2.gz FTHFHQSNJSWPJO-QFIPXVFZSA-N 2 1 483.661 1.965 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001501903852 1069776379 /nfs/dbraw/zinc/77/63/79/1069776379.db2.gz LKMONAIQJXPWRZ-RTWAWAEBSA-N 2 1 485.681 1.789 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001501903934 1069777268 /nfs/dbraw/zinc/77/72/68/1069777268.db2.gz OCZPNWSGHCECID-UHFFFAOYSA-N 2 1 469.634 1.658 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001501904132 1069780334 /nfs/dbraw/zinc/78/03/34/1069780334.db2.gz WAJLCKPSHHKXMD-FQEVSTJZSA-N 2 1 456.639 1.758 20 0 JDADMP COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC001477238337 1069805796 /nfs/dbraw/zinc/80/57/96/1069805796.db2.gz UEQGUHULSHFCQM-VWNXMTODSA-N 2 1 459.635 1.928 20 0 JDADMP CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001501949749 1069805900 /nfs/dbraw/zinc/80/59/00/1069805900.db2.gz SHPKJWKWARYVGT-NRFANRHFSA-N 2 1 454.623 1.815 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951717 1069805943 /nfs/dbraw/zinc/80/59/43/1069805943.db2.gz FNQGWIZZISUDJI-HJNYFJLDSA-N 2 1 488.681 1.340 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001501954467 1069806459 /nfs/dbraw/zinc/80/64/59/1069806459.db2.gz BIPQPNIOALJZNR-NRFANRHFSA-N 2 1 461.655 1.648 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001501954467 1069806460 /nfs/dbraw/zinc/80/64/60/1069806460.db2.gz BIPQPNIOALJZNR-NRFANRHFSA-N 2 1 461.655 1.648 20 0 JDADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cc2)CC1 ZINC001477250477 1069807698 /nfs/dbraw/zinc/80/76/98/1069807698.db2.gz RDYUXDHELUSZAC-QHCPKHFHSA-N 2 1 456.635 1.272 20 0 JDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc2)CC1 ZINC001477250477 1069807699 /nfs/dbraw/zinc/80/76/99/1069807699.db2.gz RDYUXDHELUSZAC-QHCPKHFHSA-N 2 1 456.635 1.272 20 0 JDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cc2)CC1 ZINC001477250477 1069807701 /nfs/dbraw/zinc/80/77/01/1069807701.db2.gz RDYUXDHELUSZAC-QHCPKHFHSA-N 2 1 456.635 1.272 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001501982786 1069812019 /nfs/dbraw/zinc/81/20/19/1069812019.db2.gz QWRGJCYIBDXJGN-YVNJGZBMSA-N 2 1 461.655 1.501 20 0 JDADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001477472143 1069825852 /nfs/dbraw/zinc/82/58/52/1069825852.db2.gz PXYIUMZJSHHSTE-RUZDIDTESA-N 2 1 451.615 1.870 20 0 JDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc1OC ZINC001477532911 1069830609 /nfs/dbraw/zinc/83/06/09/1069830609.db2.gz XTRUZJIOLVWROW-IBGZPJMESA-N 2 1 450.580 1.662 20 0 JDADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)cc1 ZINC001477667911 1069842872 /nfs/dbraw/zinc/84/28/72/1069842872.db2.gz UXKNSVLSVKCBLI-HSZRJFAPSA-N 2 1 459.635 1.613 20 0 JDADMP CCN1CCC([N@H+]2CCCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)CC1 ZINC001477725810 1069848308 /nfs/dbraw/zinc/84/83/08/1069848308.db2.gz NYBSCUHBUMOUBK-UHFFFAOYSA-N 2 1 456.635 1.537 20 0 JDADMP CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502194694 1069850626 /nfs/dbraw/zinc/85/06/26/1069850626.db2.gz OTFDWCKJRXJMGG-UHFFFAOYSA-N 2 1 454.627 1.855 20 0 JDADMP CC[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502194694 1069850627 /nfs/dbraw/zinc/85/06/27/1069850627.db2.gz OTFDWCKJRXJMGG-UHFFFAOYSA-N 2 1 454.627 1.855 20 0 JDADMP CC[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502194694 1069850629 /nfs/dbraw/zinc/85/06/29/1069850629.db2.gz OTFDWCKJRXJMGG-UHFFFAOYSA-N 2 1 454.627 1.855 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C)C(C)C ZINC001502199230 1069854141 /nfs/dbraw/zinc/85/41/41/1069854141.db2.gz GYDZCYJWUYOSCK-AQNXPRMDSA-N 2 1 485.699 1.260 20 0 JDADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)C(C)C ZINC001502199230 1069854145 /nfs/dbraw/zinc/85/41/45/1069854145.db2.gz GYDZCYJWUYOSCK-AQNXPRMDSA-N 2 1 485.699 1.260 20 0 JDADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)C(C)C ZINC001502199230 1069854146 /nfs/dbraw/zinc/85/41/46/1069854146.db2.gz GYDZCYJWUYOSCK-AQNXPRMDSA-N 2 1 485.699 1.260 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([NH2+]C(C)C)CC1)C1CC1 ZINC001502199656 1069854963 /nfs/dbraw/zinc/85/49/63/1069854963.db2.gz PWOMUZLDTYFPPW-FQEVSTJZSA-N 2 1 483.683 1.062 20 0 JDADMP CC[N@@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([NH2+]C(C)C)CC1)C1CC1 ZINC001502199657 1069855521 /nfs/dbraw/zinc/85/55/21/1069855521.db2.gz PWOMUZLDTYFPPW-HXUWFJFHSA-N 2 1 483.683 1.062 20 0 JDADMP CC1(C)C[N@H+](C2(CNC(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CCCCC2)CCO1 ZINC001477843700 1069867637 /nfs/dbraw/zinc/86/76/37/1069867637.db2.gz DEFJDWJUCBXPGV-OAQYLSRUSA-N 2 1 451.656 1.506 20 0 JDADMP CC1(C)C[NH+](C2(CNC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CCCCC2)CCO1 ZINC001477843700 1069867639 /nfs/dbraw/zinc/86/76/39/1069867639.db2.gz DEFJDWJUCBXPGV-OAQYLSRUSA-N 2 1 451.656 1.506 20 0 JDADMP CC1(C)C[NH+](C2(CNC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CCCCC2)CCO1 ZINC001477843700 1069867641 /nfs/dbraw/zinc/86/76/41/1069867641.db2.gz DEFJDWJUCBXPGV-OAQYLSRUSA-N 2 1 451.656 1.506 20 0 JDADMP O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001477874875 1069871703 /nfs/dbraw/zinc/87/17/03/1069871703.db2.gz TXTDGFMFYJZLGT-OAQYLSRUSA-N 2 1 453.697 1.834 20 0 JDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001477974379 1069885299 /nfs/dbraw/zinc/88/52/99/1069885299.db2.gz QNMGACYWKNXKKE-NZQKXSOJSA-N 2 1 452.603 1.658 20 0 JDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001477974379 1069885301 /nfs/dbraw/zinc/88/53/01/1069885301.db2.gz QNMGACYWKNXKKE-NZQKXSOJSA-N 2 1 452.603 1.658 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502245427 1069921253 /nfs/dbraw/zinc/92/12/53/1069921253.db2.gz SNUWEQLPWACOCM-AABGKKOBSA-N 2 1 469.700 1.929 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC001502270403 1069986727 /nfs/dbraw/zinc/98/67/27/1069986727.db2.gz LKOUMCQZMKYIIF-ZCNNSNEGSA-N 2 1 467.684 1.542 20 0 JDADMP CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC001502270558 1069988645 /nfs/dbraw/zinc/98/86/45/1069988645.db2.gz OMLOSTKMOZFERI-IRLDBZIGSA-N 2 1 469.634 1.614 20 0 JDADMP CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC001502270558 1069988665 /nfs/dbraw/zinc/98/86/65/1069988665.db2.gz OMLOSTKMOZFERI-IRLDBZIGSA-N 2 1 469.634 1.614 20 0 JDADMP CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC001502270685 1069989191 /nfs/dbraw/zinc/98/91/91/1069989191.db2.gz REWRXLFKKIVMLU-NHCUHLMSSA-N 2 1 460.671 1.363 20 0 JDADMP CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001502282054 1070015862 /nfs/dbraw/zinc/01/58/62/1070015862.db2.gz RDLOMBBIYCTKCU-KSEOMHKRSA-N 2 1 488.681 1.280 20 0 JDADMP CC[NH+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502282054 1070015879 /nfs/dbraw/zinc/01/58/79/1070015879.db2.gz RDLOMBBIYCTKCU-KSEOMHKRSA-N 2 1 488.681 1.280 20 0 JDADMP CC[NH+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502282054 1070015891 /nfs/dbraw/zinc/01/58/91/1070015891.db2.gz RDLOMBBIYCTKCU-KSEOMHKRSA-N 2 1 488.681 1.280 20 0 JDADMP CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001502291794 1070032013 /nfs/dbraw/zinc/03/20/13/1070032013.db2.gz HSGQHXFXQICKQI-CEMLEFRQSA-N 2 1 488.681 1.280 20 0 JDADMP CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001502291794 1070032015 /nfs/dbraw/zinc/03/20/15/1070032015.db2.gz HSGQHXFXQICKQI-CEMLEFRQSA-N 2 1 488.681 1.280 20 0 JDADMP C[C@@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001478640485 1070034599 /nfs/dbraw/zinc/03/45/99/1070034599.db2.gz BJXGJCNQVBTNDG-FYYLOGMGSA-N 2 1 458.651 1.291 20 0 JDADMP C[C@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001478640488 1070034657 /nfs/dbraw/zinc/03/46/57/1070034657.db2.gz BJXGJCNQVBTNDG-GMAHTHKFSA-N 2 1 458.651 1.291 20 0 JDADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CC3([NH+](C)C)CCOCC3)CC2)CC1 ZINC001502309130 1070065115 /nfs/dbraw/zinc/06/51/15/1070065115.db2.gz WDCROMZODQOKJW-UHFFFAOYSA-N 2 1 461.655 1.468 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001478956515 1070071683 /nfs/dbraw/zinc/07/16/83/1070071683.db2.gz BXBZCEDFAAFKEW-SFHVURJKSA-N 2 1 454.641 1.162 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001478956515 1070071702 /nfs/dbraw/zinc/07/17/02/1070071702.db2.gz BXBZCEDFAAFKEW-SFHVURJKSA-N 2 1 454.641 1.162 20 0 JDADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC001502312909 1070085565 /nfs/dbraw/zinc/08/55/65/1070085565.db2.gz UYBHKLVPIZJXSY-RTWAWAEBSA-N 2 1 455.655 1.929 20 0 JDADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479178389 1070100047 /nfs/dbraw/zinc/10/00/47/1070100047.db2.gz UWKVUCUWWPYDMK-HXUWFJFHSA-N 2 1 453.578 1.835 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502317305 1070119023 /nfs/dbraw/zinc/11/90/23/1070119023.db2.gz DVLJYUHGSXNJHB-YADARESESA-N 2 1 455.607 1.744 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001502317305 1070119029 /nfs/dbraw/zinc/11/90/29/1070119029.db2.gz DVLJYUHGSXNJHB-YADARESESA-N 2 1 455.607 1.744 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001502317305 1070119033 /nfs/dbraw/zinc/11/90/33/1070119033.db2.gz DVLJYUHGSXNJHB-YADARESESA-N 2 1 455.607 1.744 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001502318197 1070126700 /nfs/dbraw/zinc/12/67/00/1070126700.db2.gz WGNIKYQSZLGBBL-PMACEKPBSA-N 2 1 470.622 1.813 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001502318197 1070126711 /nfs/dbraw/zinc/12/67/11/1070126711.db2.gz WGNIKYQSZLGBBL-PMACEKPBSA-N 2 1 470.622 1.813 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001502318197 1070126728 /nfs/dbraw/zinc/12/67/28/1070126728.db2.gz WGNIKYQSZLGBBL-PMACEKPBSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502326520 1070145518 /nfs/dbraw/zinc/14/55/18/1070145518.db2.gz YATYUNDDOVLYDU-FHAGJXEFSA-N 2 1 491.681 1.990 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001502326520 1070145539 /nfs/dbraw/zinc/14/55/39/1070145539.db2.gz YATYUNDDOVLYDU-FHAGJXEFSA-N 2 1 491.681 1.990 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001502326520 1070145571 /nfs/dbraw/zinc/14/55/71/1070145571.db2.gz YATYUNDDOVLYDU-FHAGJXEFSA-N 2 1 491.681 1.990 20 0 JDADMP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001502343954 1070249168 /nfs/dbraw/zinc/24/91/68/1070249168.db2.gz WZLKQUKGRZHDHY-NHCUHLMSSA-N 2 1 460.671 1.281 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001493204003 1070257019 /nfs/dbraw/zinc/25/70/19/1070257019.db2.gz NPAMDDBRPRMPBW-VAMGGRTRSA-N 2 1 461.655 1.694 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001493204003 1070257046 /nfs/dbraw/zinc/25/70/46/1070257046.db2.gz NPAMDDBRPRMPBW-VAMGGRTRSA-N 2 1 461.655 1.694 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493204002 1070257661 /nfs/dbraw/zinc/25/76/61/1070257661.db2.gz NPAMDDBRPRMPBW-HSALFYBXSA-N 2 1 461.655 1.694 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493204002 1070257676 /nfs/dbraw/zinc/25/76/76/1070257676.db2.gz NPAMDDBRPRMPBW-HSALFYBXSA-N 2 1 461.655 1.694 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493204002 1070257700 /nfs/dbraw/zinc/25/77/00/1070257700.db2.gz NPAMDDBRPRMPBW-HSALFYBXSA-N 2 1 461.655 1.694 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493204002 1070257735 /nfs/dbraw/zinc/25/77/35/1070257735.db2.gz NPAMDDBRPRMPBW-HSALFYBXSA-N 2 1 461.655 1.694 20 0 JDADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493693804 1070337220 /nfs/dbraw/zinc/33/72/20/1070337220.db2.gz VVUIGCNDRDAYFG-GUDVDZBRSA-N 2 1 469.700 1.976 20 0 JDADMP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493693806 1070337476 /nfs/dbraw/zinc/33/74/76/1070337476.db2.gz VVUIGCNDRDAYFG-QYZOEREBSA-N 2 1 469.700 1.976 20 0 JDADMP C[C@H]1CCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001493855565 1070363733 /nfs/dbraw/zinc/36/37/33/1070363733.db2.gz UYZLBHZLSFXRDT-FQEVSTJZSA-N 2 1 461.655 1.679 20 0 JDADMP C[C@H]1CCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001493855565 1070363762 /nfs/dbraw/zinc/36/37/62/1070363762.db2.gz UYZLBHZLSFXRDT-FQEVSTJZSA-N 2 1 461.655 1.679 20 0 JDADMP C[C@@H]1CCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001493855567 1070363811 /nfs/dbraw/zinc/36/38/11/1070363811.db2.gz UYZLBHZLSFXRDT-HXUWFJFHSA-N 2 1 461.655 1.679 20 0 JDADMP C[C@@H]1CCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001493855567 1070363825 /nfs/dbraw/zinc/36/38/25/1070363825.db2.gz UYZLBHZLSFXRDT-HXUWFJFHSA-N 2 1 461.655 1.679 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001494189967 1070461517 /nfs/dbraw/zinc/46/15/17/1070461517.db2.gz GDOGLMMKOWQHPE-SPEDKVCISA-N 2 1 499.751 1.636 20 0 JDADMP C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001494348348 1070559658 /nfs/dbraw/zinc/55/96/58/1070559658.db2.gz UCDTUPDGUPVXQV-RBUKOAKNSA-N 2 1 468.668 1.069 20 0 JDADMP C[C@@H]1C[N@H+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001494518651 1070608941 /nfs/dbraw/zinc/60/89/41/1070608941.db2.gz KGLUCZKFXYIKRM-BGYRXZFFSA-N 2 1 461.655 1.934 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494519682 1070611252 /nfs/dbraw/zinc/61/12/52/1070611252.db2.gz PRQHEYNOOOSJIR-YSTOQKLRSA-N 2 1 483.683 1.062 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494519683 1070611473 /nfs/dbraw/zinc/61/14/73/1070611473.db2.gz PRQHEYNOOOSJIR-ZGXWSNOMSA-N 2 1 483.683 1.062 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494519683 1070611483 /nfs/dbraw/zinc/61/14/83/1070611483.db2.gz PRQHEYNOOOSJIR-ZGXWSNOMSA-N 2 1 483.683 1.062 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494519683 1070611490 /nfs/dbraw/zinc/61/14/90/1070611490.db2.gz PRQHEYNOOOSJIR-ZGXWSNOMSA-N 2 1 483.683 1.062 20 0 JDADMP C[C@H]1C[N@@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001494532881 1070626054 /nfs/dbraw/zinc/62/60/54/1070626054.db2.gz ZUARHCKXRITXSC-SFTDATJTSA-N 2 1 496.722 1.992 20 0 JDADMP C[C@H]1C[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCCO1 ZINC001494532881 1070626060 /nfs/dbraw/zinc/62/60/60/1070626060.db2.gz ZUARHCKXRITXSC-SFTDATJTSA-N 2 1 496.722 1.992 20 0 JDADMP C[C@H]1C[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCCO1 ZINC001494532881 1070626064 /nfs/dbraw/zinc/62/60/64/1070626064.db2.gz ZUARHCKXRITXSC-SFTDATJTSA-N 2 1 496.722 1.992 20 0 JDADMP CCO[C@@]1(c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[NH+]2CC=CCC2)CCOC1 ZINC001502655359 1070727818 /nfs/dbraw/zinc/72/78/18/1070727818.db2.gz SIPVBUSZGGCIFL-DEOSSOPVSA-N 2 1 462.639 1.739 20 0 JDADMP CCO[C@@]1(c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[NH+]2CC=CCC2)CCOC1 ZINC001502655359 1070727845 /nfs/dbraw/zinc/72/78/45/1070727845.db2.gz SIPVBUSZGGCIFL-DEOSSOPVSA-N 2 1 462.639 1.739 20 0 JDADMP CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2CC[N@H+]2CC=CCC2)CCOC1 ZINC001502655359 1070727866 /nfs/dbraw/zinc/72/78/66/1070727866.db2.gz SIPVBUSZGGCIFL-DEOSSOPVSA-N 2 1 462.639 1.739 20 0 JDADMP CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001502655359 1070727884 /nfs/dbraw/zinc/72/78/84/1070727884.db2.gz SIPVBUSZGGCIFL-DEOSSOPVSA-N 2 1 462.639 1.739 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001502662773 1070739421 /nfs/dbraw/zinc/73/94/21/1070739421.db2.gz ULFUGNBOKRBQRU-DCLXLUIPSA-N 2 1 464.655 1.675 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[C@H](C[NH+](CC)CC)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001502680742 1070770084 /nfs/dbraw/zinc/77/00/84/1070770084.db2.gz WQNFTURCLKGJMN-UEVCKROQSA-N 2 1 450.628 1.165 20 0 JDADMP CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675637 1070813450 /nfs/dbraw/zinc/81/34/50/1070813450.db2.gz CDHMSCDWYJSLQO-NHCUHLMSSA-N 2 1 475.682 1.770 20 0 JDADMP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001495698806 1070816254 /nfs/dbraw/zinc/81/62/54/1070816254.db2.gz SUAPNAOZSGAQRP-FQEVSTJZSA-N 2 1 461.655 1.647 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC[N@@H+](CC)C(C)C)CCOC1 ZINC001502721257 1070828894 /nfs/dbraw/zinc/82/88/94/1070828894.db2.gz DYOVWNNQYUMIHY-XMMPIXPASA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001502725478 1070835380 /nfs/dbraw/zinc/83/53/80/1070835380.db2.gz JUWLOACFADTJIY-RDPSFJRHSA-N 2 1 496.722 1.915 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@H](C)C3)n2C[C@H]2CCCC[N@H+]2CC)CCOC1 ZINC001502726630 1070837643 /nfs/dbraw/zinc/83/76/43/1070837643.db2.gz YVFMSCAYCROQJH-PQNGQFLHSA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2C[C@H]2CCCC[NH+]2CC)CCOC1 ZINC001502726630 1070837645 /nfs/dbraw/zinc/83/76/45/1070837645.db2.gz YVFMSCAYCROQJH-PQNGQFLHSA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2C[C@H]2CCCC[NH+]2CC)CCOC1 ZINC001502726630 1070837646 /nfs/dbraw/zinc/83/76/46/1070837646.db2.gz YVFMSCAYCROQJH-PQNGQFLHSA-N 2 1 464.655 1.962 20 0 JDADMP COc1cc(OC)cc(-c2nnc(N3C[C@H]([NH+]4CCN(C(C)=O)CC4)[C@@H](C)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001504119932 1070841989 /nfs/dbraw/zinc/84/19/89/1070841989.db2.gz LNVRAZKGTVDEIR-JXQFQVJHSA-N 2 1 499.660 1.901 20 0 JDADMP COc1ccc(-c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCOCC[NH+](C)C)cc1 ZINC001504170678 1070863422 /nfs/dbraw/zinc/86/34/22/1070863422.db2.gz PVIPCHPIVSUAKC-DENIHFKCSA-N 2 1 458.607 1.689 20 0 JDADMP COc1ccc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCOCC[NH+](C)C)cc1 ZINC001504170692 1070863468 /nfs/dbraw/zinc/86/34/68/1070863468.db2.gz PVIPCHPIVSUAKC-UGKGYDQZSA-N 2 1 458.607 1.689 20 0 JDADMP CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001496663225 1070856474 /nfs/dbraw/zinc/85/64/74/1070856474.db2.gz WMJLTANUWPTBDM-NNWRFLSQSA-N 2 1 496.722 1.705 20 0 JDADMP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001504198075 1070875637 /nfs/dbraw/zinc/87/56/37/1070875637.db2.gz LNFMAFLGBHRUTQ-XMMPIXPASA-N 2 1 458.607 1.949 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033321 1070988424 /nfs/dbraw/zinc/98/84/24/1070988424.db2.gz MBCUIZIAAGAIJS-TZIWHRDSSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001503034531 1070992147 /nfs/dbraw/zinc/99/21/47/1070992147.db2.gz RJOLEWUPPXMKSF-TZIWHRDSSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503041605 1071003657 /nfs/dbraw/zinc/00/36/57/1071003657.db2.gz UBVSZJVMAOLCIU-RTWAWAEBSA-N 2 1 464.655 1.597 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001503098148 1071042300 /nfs/dbraw/zinc/04/23/00/1071042300.db2.gz JYYYHDUZGOYYHD-NJYVYQBISA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC001503098148 1071042314 /nfs/dbraw/zinc/04/23/14/1071042314.db2.gz JYYYHDUZGOYYHD-NJYVYQBISA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC001503098148 1071042326 /nfs/dbraw/zinc/04/23/26/1071042326.db2.gz JYYYHDUZGOYYHD-NJYVYQBISA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503099519 1071046632 /nfs/dbraw/zinc/04/66/32/1071046632.db2.gz NLKMUSLFQYJGPO-OYRHEFFESA-N 2 1 491.681 1.447 20 0 JDADMP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001503109804 1071064937 /nfs/dbraw/zinc/06/49/37/1071064937.db2.gz PIJIVPUECKWFBK-FGZHOGPDSA-N 2 1 477.698 1.778 20 0 JDADMP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001503109804 1071064947 /nfs/dbraw/zinc/06/49/47/1071064947.db2.gz PIJIVPUECKWFBK-FGZHOGPDSA-N 2 1 477.698 1.778 20 0 JDADMP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001503109804 1071064959 /nfs/dbraw/zinc/06/49/59/1071064959.db2.gz PIJIVPUECKWFBK-FGZHOGPDSA-N 2 1 477.698 1.778 20 0 JDADMP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503110385 1071065693 /nfs/dbraw/zinc/06/56/93/1071065693.db2.gz VUFOQSQEBVAGFA-BGYRXZFFSA-N 2 1 450.628 1.615 20 0 JDADMP CCOCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503114950 1071075067 /nfs/dbraw/zinc/07/50/67/1071075067.db2.gz BUEJREKXKGIZKU-UHFFFAOYSA-N 2 1 450.628 1.474 20 0 JDADMP CCOCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503114950 1071075081 /nfs/dbraw/zinc/07/50/81/1071075081.db2.gz BUEJREKXKGIZKU-UHFFFAOYSA-N 2 1 450.628 1.474 20 0 JDADMP CCOCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001503115225 1071076414 /nfs/dbraw/zinc/07/64/14/1071076414.db2.gz LFODJFYINPCJFO-OAQYLSRUSA-N 2 1 464.655 1.864 20 0 JDADMP CCOCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503115474 1071077364 /nfs/dbraw/zinc/07/73/64/1071077364.db2.gz RBQZOCUYFQCHIQ-FGZHOGPDSA-N 2 1 477.698 1.920 20 0 JDADMP CCOCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503115474 1071077379 /nfs/dbraw/zinc/07/73/79/1071077379.db2.gz RBQZOCUYFQCHIQ-FGZHOGPDSA-N 2 1 477.698 1.920 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001503216689 1071166190 /nfs/dbraw/zinc/16/61/90/1071166190.db2.gz PIWVCIODEVPLJC-FQEVSTJZSA-N 2 1 470.622 1.958 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001503216689 1071166200 /nfs/dbraw/zinc/16/62/00/1071166200.db2.gz PIWVCIODEVPLJC-FQEVSTJZSA-N 2 1 470.622 1.958 20 0 JDADMP CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1CC ZINC001503220567 1071174556 /nfs/dbraw/zinc/17/45/56/1071174556.db2.gz LWWHPMSKDCQVOY-OAQYLSRUSA-N 2 1 474.654 1.727 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1CC ZINC001503220567 1071174564 /nfs/dbraw/zinc/17/45/64/1071174564.db2.gz LWWHPMSKDCQVOY-OAQYLSRUSA-N 2 1 474.654 1.727 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1CC ZINC001503220567 1071174582 /nfs/dbraw/zinc/17/45/82/1071174582.db2.gz LWWHPMSKDCQVOY-OAQYLSRUSA-N 2 1 474.654 1.727 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1CC ZINC001503220567 1071174592 /nfs/dbraw/zinc/17/45/92/1071174592.db2.gz LWWHPMSKDCQVOY-OAQYLSRUSA-N 2 1 474.654 1.727 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001503219382 1071172364 /nfs/dbraw/zinc/17/23/64/1071172364.db2.gz CHMKQGBFFABTKK-SKPFHBQLSA-N 2 1 461.655 1.898 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001503221587 1071177879 /nfs/dbraw/zinc/17/78/79/1071177879.db2.gz TXDHTQSRKRJLPW-UHFFFAOYSA-N 2 1 496.660 1.938 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1CC ZINC001503222112 1071181058 /nfs/dbraw/zinc/18/10/58/1071181058.db2.gz WYBHSHYMGNTYKR-HXUWFJFHSA-N 2 1 472.638 1.783 20 0 JDADMP COC1CC[NH+](C(C)(C)Cn2c(C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001504492930 1071270742 /nfs/dbraw/zinc/27/07/42/1071270742.db2.gz YPLWLYHJMBDOTF-UHFFFAOYSA-N 2 1 461.655 1.610 20 0 JDADMP COC1CC[NH+](C(C)(C)Cn2c(C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001504492930 1071270749 /nfs/dbraw/zinc/27/07/49/1071270749.db2.gz YPLWLYHJMBDOTF-UHFFFAOYSA-N 2 1 461.655 1.610 20 0 JDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(N2CCC[NH+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357212 1071557957 /nfs/dbraw/zinc/55/79/57/1071557957.db2.gz HLZLTWJSPMHHEI-JOCHJYFZSA-N 2 1 499.708 1.964 20 0 JDADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCn1c(N2CCC[N@H+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357212 1071557967 /nfs/dbraw/zinc/55/79/67/1071557967.db2.gz HLZLTWJSPMHHEI-JOCHJYFZSA-N 2 1 499.708 1.964 20 0 JDADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCn1c(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357212 1071557982 /nfs/dbraw/zinc/55/79/82/1071557982.db2.gz HLZLTWJSPMHHEI-JOCHJYFZSA-N 2 1 499.708 1.964 20 0 JDADMP C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC001503386692 1071644428 /nfs/dbraw/zinc/64/44/28/1071644428.db2.gz MHUQHEQOYXBRFN-LJQANCHMSA-N 2 1 497.710 1.406 20 0 JDADMP C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC001503386689 1071644639 /nfs/dbraw/zinc/64/46/39/1071644639.db2.gz MHUQHEQOYXBRFN-IBGZPJMESA-N 2 1 497.710 1.406 20 0 JDADMP C[NH+](C)CC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001503396919 1071656101 /nfs/dbraw/zinc/65/61/01/1071656101.db2.gz RIJIWVPTBMXSCL-UHFFFAOYSA-N 2 1 456.639 1.996 20 0 JDADMP C[NH+](C)CC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001503396919 1071656108 /nfs/dbraw/zinc/65/61/08/1071656108.db2.gz RIJIWVPTBMXSCL-UHFFFAOYSA-N 2 1 456.639 1.996 20 0 JDADMP C[NH+](C)CC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001503399179 1071659359 /nfs/dbraw/zinc/65/93/59/1071659359.db2.gz RQTXPNDLZRZWJU-OAQYLSRUSA-N 2 1 468.650 1.595 20 0 JDADMP C[NH+](C)CCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001503401476 1071663908 /nfs/dbraw/zinc/66/39/08/1071663908.db2.gz MAXXKKOQISVGGQ-HXUWFJFHSA-N 2 1 460.671 1.423 20 0 JDADMP C[NH+](C)CCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001503401474 1071664144 /nfs/dbraw/zinc/66/41/44/1071664144.db2.gz MAXXKKOQISVGGQ-FQEVSTJZSA-N 2 1 460.671 1.423 20 0 JDADMP COCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001504812150 1071683533 /nfs/dbraw/zinc/68/35/33/1071683533.db2.gz ZCBVOMDWVXTMIG-HXUWFJFHSA-N 2 1 477.654 1.172 20 0 JDADMP COCCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001504812150 1071683539 /nfs/dbraw/zinc/68/35/39/1071683539.db2.gz ZCBVOMDWVXTMIG-HXUWFJFHSA-N 2 1 477.654 1.172 20 0 JDADMP COCCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001504812150 1071683541 /nfs/dbraw/zinc/68/35/41/1071683541.db2.gz ZCBVOMDWVXTMIG-HXUWFJFHSA-N 2 1 477.654 1.172 20 0 JDADMP COCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1C[C@H]([NH+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504811806 1071683569 /nfs/dbraw/zinc/68/35/69/1071683569.db2.gz QOUNPDGLPKHBSO-UNMCSNQZSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[NH+](C)CCn1c(C(C)C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504811806 1071683571 /nfs/dbraw/zinc/68/35/71/1071683571.db2.gz QOUNPDGLPKHBSO-UNMCSNQZSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[NH+](C)CCn1c(C(C)C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504811806 1071683576 /nfs/dbraw/zinc/68/35/76/1071683576.db2.gz QOUNPDGLPKHBSO-UNMCSNQZSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001504821596 1071708251 /nfs/dbraw/zinc/70/82/51/1071708251.db2.gz VVRNBGLQIJOINV-NJDAHSKKSA-N 2 1 450.628 1.297 20 0 JDADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001504821596 1071708262 /nfs/dbraw/zinc/70/82/62/1071708262.db2.gz VVRNBGLQIJOINV-NJDAHSKKSA-N 2 1 450.628 1.297 20 0 JDADMP COCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001504821601 1071708327 /nfs/dbraw/zinc/70/83/27/1071708327.db2.gz VVRNBGLQIJOINV-PWRODBHTSA-N 2 1 450.628 1.297 20 0 JDADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001504821601 1071708339 /nfs/dbraw/zinc/70/83/39/1071708339.db2.gz VVRNBGLQIJOINV-PWRODBHTSA-N 2 1 450.628 1.297 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001504850213 1071747522 /nfs/dbraw/zinc/74/75/22/1071747522.db2.gz CVLDZLQNLJKOEC-HXUWFJFHSA-N 2 1 459.639 1.941 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2cccn2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001504850213 1071747531 /nfs/dbraw/zinc/74/75/31/1071747531.db2.gz CVLDZLQNLJKOEC-HXUWFJFHSA-N 2 1 459.639 1.941 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2cccn2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001504850213 1071747542 /nfs/dbraw/zinc/74/75/42/1071747542.db2.gz CVLDZLQNLJKOEC-HXUWFJFHSA-N 2 1 459.639 1.941 20 0 JDADMP COCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC001504851620 1071751962 /nfs/dbraw/zinc/75/19/62/1071751962.db2.gz LRQYGOUJHHREEM-UHFFFAOYSA-N 2 1 487.624 1.944 20 0 JDADMP COCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001504851620 1071751981 /nfs/dbraw/zinc/75/19/81/1071751981.db2.gz LRQYGOUJHHREEM-UHFFFAOYSA-N 2 1 487.624 1.944 20 0 JDADMP COCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001504851620 1071751994 /nfs/dbraw/zinc/75/19/94/1071751994.db2.gz LRQYGOUJHHREEM-UHFFFAOYSA-N 2 1 487.624 1.944 20 0 JDADMP COCC[N@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001504851456 1071750985 /nfs/dbraw/zinc/75/09/85/1071750985.db2.gz OMSBTGREIRRIKE-KNQAVFIVSA-N 2 1 457.623 1.774 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001504851456 1071751007 /nfs/dbraw/zinc/75/10/07/1071751007.db2.gz OMSBTGREIRRIKE-KNQAVFIVSA-N 2 1 457.623 1.774 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001504854178 1071761608 /nfs/dbraw/zinc/76/16/08/1071761608.db2.gz KDKDUKGHFWWXIF-OAQYLSRUSA-N 2 1 490.052 1.920 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001504854178 1071761624 /nfs/dbraw/zinc/76/16/24/1071761624.db2.gz KDKDUKGHFWWXIF-OAQYLSRUSA-N 2 1 490.052 1.920 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001504854178 1071761643 /nfs/dbraw/zinc/76/16/43/1071761643.db2.gz KDKDUKGHFWWXIF-OAQYLSRUSA-N 2 1 490.052 1.920 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504854313 1071762325 /nfs/dbraw/zinc/76/23/25/1071762325.db2.gz GRPILCMENQHURG-NZQKXSOJSA-N 2 1 469.634 1.512 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504854313 1071762341 /nfs/dbraw/zinc/76/23/41/1071762341.db2.gz GRPILCMENQHURG-NZQKXSOJSA-N 2 1 469.634 1.512 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001504854314 1071762531 /nfs/dbraw/zinc/76/25/31/1071762531.db2.gz PTNFNWZIJIECIY-DEOSSOPVSA-N 2 1 458.607 1.833 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001504854314 1071762542 /nfs/dbraw/zinc/76/25/42/1071762542.db2.gz PTNFNWZIJIECIY-DEOSSOPVSA-N 2 1 458.607 1.833 20 0 JDADMP COCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001504854891 1071764980 /nfs/dbraw/zinc/76/49/80/1071764980.db2.gz NQKDZMNSGQNALM-IBGZPJMESA-N 2 1 456.595 1.568 20 0 JDADMP COCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504859212 1071787439 /nfs/dbraw/zinc/78/74/39/1071787439.db2.gz WLYQDZWPZKYCDE-UGKGYDQZSA-N 2 1 489.690 1.497 20 0 JDADMP COCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504859212 1071787460 /nfs/dbraw/zinc/78/74/60/1071787460.db2.gz WLYQDZWPZKYCDE-UGKGYDQZSA-N 2 1 489.690 1.497 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001504904597 1071844344 /nfs/dbraw/zinc/84/43/44/1071844344.db2.gz GNDMMPVNFWXCEM-UHFFFAOYSA-N 2 1 455.607 1.392 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001504905011 1071846127 /nfs/dbraw/zinc/84/61/27/1071846127.db2.gz QXJNOCXADRWOPE-UXHICEINSA-N 2 1 470.622 1.814 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001504905011 1071846132 /nfs/dbraw/zinc/84/61/32/1071846132.db2.gz QXJNOCXADRWOPE-UXHICEINSA-N 2 1 470.622 1.814 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001504906493 1071850393 /nfs/dbraw/zinc/85/03/93/1071850393.db2.gz YWEHQNSTKCFRJQ-UTKZUKDTSA-N 2 1 453.657 1.011 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001504909994 1071863326 /nfs/dbraw/zinc/86/33/26/1071863326.db2.gz JNUXLKKGVHIINO-HUVFLSCGSA-N 2 1 496.722 1.913 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001504909510 1071861460 /nfs/dbraw/zinc/86/14/60/1071861460.db2.gz ZUYYZFSSHRCQGP-OALUTQOASA-N 2 1 485.699 1.167 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001504909510 1071861465 /nfs/dbraw/zinc/86/14/65/1071861465.db2.gz ZUYYZFSSHRCQGP-OALUTQOASA-N 2 1 485.699 1.167 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001504909510 1071861467 /nfs/dbraw/zinc/86/14/67/1071861467.db2.gz ZUYYZFSSHRCQGP-OALUTQOASA-N 2 1 485.699 1.167 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001504909532 1071861537 /nfs/dbraw/zinc/86/15/37/1071861537.db2.gz ZUYYZFSSHRCQGP-RTBURBONSA-N 2 1 485.699 1.167 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001504909532 1071861539 /nfs/dbraw/zinc/86/15/39/1071861539.db2.gz ZUYYZFSSHRCQGP-RTBURBONSA-N 2 1 485.699 1.167 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001504909532 1071861542 /nfs/dbraw/zinc/86/15/42/1071861542.db2.gz ZUYYZFSSHRCQGP-RTBURBONSA-N 2 1 485.699 1.167 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001504909999 1071863345 /nfs/dbraw/zinc/86/33/45/1071863345.db2.gz JNUXLKKGVHIINO-QDSKXPNFSA-N 2 1 496.722 1.913 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001504917189 1071882364 /nfs/dbraw/zinc/88/23/64/1071882364.db2.gz OSTAONKUUSUHFL-FYYLOGMGSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001504917189 1071882367 /nfs/dbraw/zinc/88/23/67/1071882367.db2.gz OSTAONKUUSUHFL-FYYLOGMGSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001504917189 1071882375 /nfs/dbraw/zinc/88/23/75/1071882375.db2.gz OSTAONKUUSUHFL-FYYLOGMGSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504915880 1071878553 /nfs/dbraw/zinc/87/85/53/1071878553.db2.gz OWHCICMGIWXRGY-PCCBWWKXSA-N 2 1 457.623 1.996 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504915880 1071878554 /nfs/dbraw/zinc/87/85/54/1071878554.db2.gz OWHCICMGIWXRGY-PCCBWWKXSA-N 2 1 457.623 1.996 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504915880 1071878555 /nfs/dbraw/zinc/87/85/55/1071878555.db2.gz OWHCICMGIWXRGY-PCCBWWKXSA-N 2 1 457.623 1.996 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504915875 1071878637 /nfs/dbraw/zinc/87/86/37/1071878637.db2.gz OWHCICMGIWXRGY-ACRUOGEOSA-N 2 1 457.623 1.996 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001504916219 1071879772 /nfs/dbraw/zinc/87/97/72/1071879772.db2.gz BYNQGPPNARSGEB-RTWAWAEBSA-N 2 1 455.607 1.609 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001504916215 1071880049 /nfs/dbraw/zinc/88/00/49/1071880049.db2.gz BYNQGPPNARSGEB-LEWJYISDSA-N 2 1 455.607 1.609 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001504916595 1071881086 /nfs/dbraw/zinc/88/10/86/1071881086.db2.gz HPKCFFWXZMHSST-QZTJIDSGSA-N 2 1 468.606 1.299 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001504920960 1071894616 /nfs/dbraw/zinc/89/46/16/1071894616.db2.gz SNZMGJYXEDXWJE-UXHICEINSA-N 2 1 464.655 1.828 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001504923874 1071905255 /nfs/dbraw/zinc/90/52/55/1071905255.db2.gz KNIODYGHGBBSSH-OAQYLSRUSA-N 2 1 461.655 1.679 20 0 JDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001503618608 1071905872 /nfs/dbraw/zinc/90/58/72/1071905872.db2.gz KKKYNFLFMLYRBP-IBGZPJMESA-N 2 1 470.622 1.813 20 0 JDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001503618608 1071905879 /nfs/dbraw/zinc/90/58/79/1071905879.db2.gz KKKYNFLFMLYRBP-IBGZPJMESA-N 2 1 470.622 1.813 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H]2C)C[C@@H]1C ZINC001504924711 1071909782 /nfs/dbraw/zinc/90/97/82/1071909782.db2.gz FFPGOOCCRZWWJL-MOPGFXCFSA-N 2 1 475.663 1.911 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001504924711 1071909793 /nfs/dbraw/zinc/90/97/93/1071909793.db2.gz FFPGOOCCRZWWJL-MOPGFXCFSA-N 2 1 475.663 1.911 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001504924711 1071909805 /nfs/dbraw/zinc/90/98/05/1071909805.db2.gz FFPGOOCCRZWWJL-MOPGFXCFSA-N 2 1 475.663 1.911 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001504949654 1071994754 /nfs/dbraw/zinc/99/47/54/1071994754.db2.gz IPBXKVLBDUTQIZ-XUVXKRRUSA-N 2 1 450.628 1.522 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCSCC1 ZINC001504995688 1072065664 /nfs/dbraw/zinc/06/56/64/1072065664.db2.gz SFORLQKTXRUTHZ-WOJBJXKFSA-N 2 1 482.695 1.740 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001505001301 1072080175 /nfs/dbraw/zinc/08/01/75/1072080175.db2.gz WLSYRIQDFGMYNO-MISYRCLQSA-N 2 1 464.636 1.887 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001505001301 1072080185 /nfs/dbraw/zinc/08/01/85/1072080185.db2.gz WLSYRIQDFGMYNO-MISYRCLQSA-N 2 1 464.636 1.887 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001505001297 1072080254 /nfs/dbraw/zinc/08/02/54/1072080254.db2.gz WLSYRIQDFGMYNO-HOJAQTOUSA-N 2 1 464.636 1.887 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001505001297 1072080274 /nfs/dbraw/zinc/08/02/74/1072080274.db2.gz WLSYRIQDFGMYNO-HOJAQTOUSA-N 2 1 464.636 1.887 20 0 JDADMP C[NH+]1CCN([C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c2ccccc2)CC1 ZINC001464889151 1067685838 /nfs/dbraw/zinc/68/58/38/1067685838.db2.gz BRSUGGACDGLUCF-XMMPIXPASA-N 2 1 455.647 1.816 20 0 JDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001465304183 1067776140 /nfs/dbraw/zinc/77/61/40/1067776140.db2.gz FYHUGBITDNDYEA-GOSISDBHSA-N 2 1 451.575 1.639 20 0 JDADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc21 ZINC001466130954 1067863299 /nfs/dbraw/zinc/86/32/99/1067863299.db2.gz CMWRPLYCFZWSOZ-SFTDATJTSA-N 2 1 451.571 1.916 20 0 JDADMP CC[NH+]1CCN(c2cccc(NC(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)c2)CC1 ZINC001466255327 1067872374 /nfs/dbraw/zinc/87/23/74/1067872374.db2.gz MGFQEDQLQYCIRX-UHFFFAOYSA-N 2 1 452.607 1.952 20 0 JDADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cc2)CC1 ZINC001467877537 1068082717 /nfs/dbraw/zinc/08/27/17/1068082717.db2.gz WCCSNCMCAHTPSL-DHIUTWEWSA-N 2 1 457.619 1.641 20 0 JDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001467880068 1068083650 /nfs/dbraw/zinc/08/36/50/1068083650.db2.gz CLBGLLHLGNFVLF-VWLOTQADSA-N 2 1 452.603 1.612 20 0 JDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001467880065 1068083801 /nfs/dbraw/zinc/08/38/01/1068083801.db2.gz CLBGLLHLGNFVLF-RUZDIDTESA-N 2 1 452.603 1.612 20 0 JDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001468452496 1068282282 /nfs/dbraw/zinc/28/22/82/1068282282.db2.gz KYLLPPYQSGHCKN-QFIPXVFZSA-N 2 1 459.635 1.646 20 0 JDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001468949926 1068402739 /nfs/dbraw/zinc/40/27/39/1068402739.db2.gz FNPQQRXICZOSMO-RJGXRXQPSA-N 2 1 457.667 1.792 20 0 JDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001468949926 1068402754 /nfs/dbraw/zinc/40/27/54/1068402754.db2.gz FNPQQRXICZOSMO-RJGXRXQPSA-N 2 1 457.667 1.792 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001470027055 1068670093 /nfs/dbraw/zinc/67/00/93/1068670093.db2.gz YOPZQYRNVKUDQL-QKKBWIMNSA-N 2 1 455.962 1.634 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001470027055 1068670114 /nfs/dbraw/zinc/67/01/14/1068670114.db2.gz YOPZQYRNVKUDQL-QKKBWIMNSA-N 2 1 455.962 1.634 20 0 JDADMP Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC2)cc1C ZINC001470774213 1068808538 /nfs/dbraw/zinc/80/85/38/1068808538.db2.gz XXXGPXANZBZFPR-FQEVSTJZSA-N 2 1 453.653 1.591 20 0 JDADMP Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC2)cc1C ZINC001470774213 1068808542 /nfs/dbraw/zinc/80/85/42/1068808542.db2.gz XXXGPXANZBZFPR-FQEVSTJZSA-N 2 1 453.653 1.591 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC001470774016 1068808633 /nfs/dbraw/zinc/80/86/33/1068808633.db2.gz UBZWIXDXRBWSCC-SFHVURJKSA-N 2 1 454.015 1.845 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC001470774016 1068808634 /nfs/dbraw/zinc/80/86/34/1068808634.db2.gz UBZWIXDXRBWSCC-SFHVURJKSA-N 2 1 454.015 1.845 20 0 JDADMP Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC2)c(C)s1 ZINC001470774086 1068808688 /nfs/dbraw/zinc/80/86/88/1068808688.db2.gz VJOLUELYPLPTDW-INIZCTEOSA-N 2 1 459.682 1.653 20 0 JDADMP Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC2)c(C)s1 ZINC001470774086 1068808690 /nfs/dbraw/zinc/80/86/90/1068808690.db2.gz VJOLUELYPLPTDW-INIZCTEOSA-N 2 1 459.682 1.653 20 0 JDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001471182310 1068840763 /nfs/dbraw/zinc/84/07/63/1068840763.db2.gz KJFNYJYWLRNBQU-QHCPKHFHSA-N 2 1 458.651 1.247 20 0 JDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001471182310 1068840764 /nfs/dbraw/zinc/84/07/64/1068840764.db2.gz KJFNYJYWLRNBQU-QHCPKHFHSA-N 2 1 458.651 1.247 20 0 JDADMP CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001499462665 1069004531 /nfs/dbraw/zinc/00/45/31/1069004531.db2.gz IAILEIOZHWYJDI-WOJBJXKFSA-N 2 1 469.700 1.931 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCC(C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC001499660949 1069033702 /nfs/dbraw/zinc/03/37/02/1069033702.db2.gz RJVWSNFERAZLRQ-NJYVYQBISA-N 2 1 497.710 1.167 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cccnc3)n2CC2([NH+](C)C)CCOCC2)CC[N@H+]1CCOC ZINC001499711493 1069046946 /nfs/dbraw/zinc/04/69/46/1069046946.db2.gz NNFBOLJODMQZRA-NRFANRHFSA-N 2 1 457.623 1.998 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499718971 1069049023 /nfs/dbraw/zinc/04/90/23/1069049023.db2.gz DJRRCNWQXCVSDK-PMACEKPBSA-N 2 1 458.611 1.250 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001499719526 1069049834 /nfs/dbraw/zinc/04/98/34/1069049834.db2.gz KFKRVQQBIDALCS-HXUWFJFHSA-N 2 1 460.627 1.336 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001499719526 1069049835 /nfs/dbraw/zinc/04/98/35/1069049835.db2.gz KFKRVQQBIDALCS-HXUWFJFHSA-N 2 1 460.627 1.336 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001499719526 1069049836 /nfs/dbraw/zinc/04/98/36/1069049836.db2.gz KFKRVQQBIDALCS-HXUWFJFHSA-N 2 1 460.627 1.336 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001499719526 1069049837 /nfs/dbraw/zinc/04/98/37/1069049837.db2.gz KFKRVQQBIDALCS-HXUWFJFHSA-N 2 1 460.627 1.336 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001499719349 1069049845 /nfs/dbraw/zinc/04/98/45/1069049845.db2.gz HRYJANMLTDHTFA-AVRDEDQJSA-N 2 1 460.652 1.719 20 0 JDADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001473148285 1069081453 /nfs/dbraw/zinc/08/14/53/1069081453.db2.gz UDNQROYMSZYIQF-NRFANRHFSA-N 2 1 450.649 1.971 20 0 JDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)CC1 ZINC001473163343 1069086702 /nfs/dbraw/zinc/08/67/02/1069086702.db2.gz LMBMNBDEFIRHMZ-OAQYLSRUSA-N 2 1 457.575 1.130 20 0 JDADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001473207506 1069094571 /nfs/dbraw/zinc/09/45/71/1069094571.db2.gz UGMIHAFRXPKIAJ-NRFANRHFSA-N 2 1 457.667 1.642 20 0 JDADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001473221433 1069098085 /nfs/dbraw/zinc/09/80/85/1069098085.db2.gz FTZMOBOJLLKIGQ-LJQANCHMSA-N 2 1 450.649 1.969 20 0 JDADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001473248409 1069105891 /nfs/dbraw/zinc/10/58/91/1069105891.db2.gz RJTBQRVOGACVAI-FQEVSTJZSA-N 2 1 457.619 1.305 20 0 JDADMP CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001500256460 1069222793 /nfs/dbraw/zinc/22/27/93/1069222793.db2.gz BRTMSRXGRMOYAJ-FQEVSTJZSA-N 2 1 472.638 1.783 20 0 JDADMP CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001500256460 1069222806 /nfs/dbraw/zinc/22/28/06/1069222806.db2.gz BRTMSRXGRMOYAJ-FQEVSTJZSA-N 2 1 472.638 1.783 20 0 JDADMP CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001500256460 1069222819 /nfs/dbraw/zinc/22/28/19/1069222819.db2.gz BRTMSRXGRMOYAJ-FQEVSTJZSA-N 2 1 472.638 1.783 20 0 JDADMP CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001500256460 1069222832 /nfs/dbraw/zinc/22/28/32/1069222832.db2.gz BRTMSRXGRMOYAJ-FQEVSTJZSA-N 2 1 472.638 1.783 20 0 JDADMP COC(=O)C1CC2(C1)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H]2C(=O)OC(C)(C)C ZINC001473785889 1069224320 /nfs/dbraw/zinc/22/43/20/1069224320.db2.gz IIRDXSLTEIZPNB-ZIYFGUEUSA-N 2 1 451.608 1.818 20 0 JDADMP COC(=O)C1CC2(C1)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H]2C(=O)OC(C)(C)C ZINC001473785889 1069224335 /nfs/dbraw/zinc/22/43/35/1069224335.db2.gz IIRDXSLTEIZPNB-ZIYFGUEUSA-N 2 1 451.608 1.818 20 0 JDADMP CCCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001500414889 1069247176 /nfs/dbraw/zinc/24/71/76/1069247176.db2.gz AOIWAJSOJDISIS-HXUWFJFHSA-N 2 1 457.627 1.407 20 0 JDADMP CCCC[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001500414889 1069247186 /nfs/dbraw/zinc/24/71/86/1069247186.db2.gz AOIWAJSOJDISIS-HXUWFJFHSA-N 2 1 457.627 1.407 20 0 JDADMP CCCC[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001500414889 1069247196 /nfs/dbraw/zinc/24/71/96/1069247196.db2.gz AOIWAJSOJDISIS-HXUWFJFHSA-N 2 1 457.627 1.407 20 0 JDADMP CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC001474892702 1069297451 /nfs/dbraw/zinc/29/74/51/1069297451.db2.gz KNEXULXEKHANCY-UHFFFAOYSA-N 2 1 456.565 1.115 20 0 JDADMP CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC[NH+](C)CC1 ZINC001505188602 1072407088 /nfs/dbraw/zinc/40/70/88/1072407088.db2.gz VQFJOPDYLWOWHD-FGTMMUONSA-N 2 1 485.724 1.389 20 0 JDADMP CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC[NH+](C)CC1 ZINC001505188604 1072407236 /nfs/dbraw/zinc/40/72/36/1072407236.db2.gz VQFJOPDYLWOWHD-SQNIBIBYSA-N 2 1 485.724 1.389 20 0 JDADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001505277969 1072447882 /nfs/dbraw/zinc/44/78/82/1072447882.db2.gz PZNJDCURCSEVIN-RTBURBONSA-N 2 1 482.695 1.458 20 0 JDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001505277969 1072447885 /nfs/dbraw/zinc/44/78/85/1072447885.db2.gz PZNJDCURCSEVIN-RTBURBONSA-N 2 1 482.695 1.458 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001505287493 1072467846 /nfs/dbraw/zinc/46/78/46/1072467846.db2.gz LWBHWTVHNZILMP-BGYRXZFFSA-N 2 1 470.622 1.957 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001505287493 1072467849 /nfs/dbraw/zinc/46/78/49/1072467849.db2.gz LWBHWTVHNZILMP-BGYRXZFFSA-N 2 1 470.622 1.957 20 0 JDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCCCO2)n1CCOCC[NH+](C)C ZINC001505288725 1072471186 /nfs/dbraw/zinc/47/11/86/1072471186.db2.gz ZYWGLMDVIMXMEF-PZJWPPBQSA-N 2 1 450.628 1.787 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)C[C@H](C)O1 ZINC001505289428 1072473158 /nfs/dbraw/zinc/47/31/58/1072473158.db2.gz IOWZMTBYAZHMPF-OYRHEFFESA-N 2 1 471.650 1.656 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)C[C@H](C)O1 ZINC001505289428 1072473163 /nfs/dbraw/zinc/47/31/63/1072473163.db2.gz IOWZMTBYAZHMPF-OYRHEFFESA-N 2 1 471.650 1.656 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CC(C)(C)C[NH+](C)C)C[C@@H]2C)CC1 ZINC001508277992 1073052515 /nfs/dbraw/zinc/05/25/15/1073052515.db2.gz ZVEDOQKCGVDGDF-CEWLAPEOSA-N 2 1 461.655 1.359 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CC(C)(C)C[NH+](C)C)C[C@H]2C)CC1 ZINC001508277998 1073052546 /nfs/dbraw/zinc/05/25/46/1073052546.db2.gz ZVEDOQKCGVDGDF-HMXCVIKNSA-N 2 1 461.655 1.359 20 0 JDADMP CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001508280604 1073059997 /nfs/dbraw/zinc/05/99/97/1073059997.db2.gz WJODSVVIEDWQTB-UHFFFAOYSA-N 2 1 456.639 1.996 20 0 JDADMP CC(C)Cc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001509202129 1073525587 /nfs/dbraw/zinc/52/55/87/1073525587.db2.gz ROAHGSUHSCLANE-HSZRJFAPSA-N 2 1 499.708 1.865 20 0 JDADMP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001509202129 1073525601 /nfs/dbraw/zinc/52/56/01/1073525601.db2.gz ROAHGSUHSCLANE-HSZRJFAPSA-N 2 1 499.708 1.865 20 0 JDADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001509202129 1073525613 /nfs/dbraw/zinc/52/56/13/1073525613.db2.gz ROAHGSUHSCLANE-HSZRJFAPSA-N 2 1 499.708 1.865 20 0 JDADMP CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001509252992 1073546769 /nfs/dbraw/zinc/54/67/69/1073546769.db2.gz GFXPRUPCJZJNEC-HXUWFJFHSA-N 2 1 462.561 1.634 20 0 JDADMP CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001509432610 1073611808 /nfs/dbraw/zinc/61/18/08/1073611808.db2.gz MNMUNUUWNVIWBA-UHFFFAOYSA-N 2 1 460.671 1.205 20 0 JDADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001509436635 1073617948 /nfs/dbraw/zinc/61/79/48/1073617948.db2.gz SKNHOQUEICOFRP-SFTDATJTSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001509436635 1073617963 /nfs/dbraw/zinc/61/79/63/1073617963.db2.gz SKNHOQUEICOFRP-SFTDATJTSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001509436635 1073617972 /nfs/dbraw/zinc/61/79/72/1073617972.db2.gz SKNHOQUEICOFRP-SFTDATJTSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001509438481 1073620013 /nfs/dbraw/zinc/62/00/13/1073620013.db2.gz ATYZUGBUYDPCPE-QHAWAJNXSA-N 2 1 472.638 1.637 20 0 JDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001509438481 1073620018 /nfs/dbraw/zinc/62/00/18/1073620018.db2.gz ATYZUGBUYDPCPE-QHAWAJNXSA-N 2 1 472.638 1.637 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001509438481 1073620023 /nfs/dbraw/zinc/62/00/23/1073620023.db2.gz ATYZUGBUYDPCPE-QHAWAJNXSA-N 2 1 472.638 1.637 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001509438481 1073620027 /nfs/dbraw/zinc/62/00/27/1073620027.db2.gz ATYZUGBUYDPCPE-QHAWAJNXSA-N 2 1 472.638 1.637 20 0 JDADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509527532 1073668462 /nfs/dbraw/zinc/66/84/62/1073668462.db2.gz LIPALWWQOCDKQN-BHIFYINESA-N 2 1 495.738 1.515 20 0 JDADMP CC(C)[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509527532 1073668472 /nfs/dbraw/zinc/66/84/72/1073668472.db2.gz LIPALWWQOCDKQN-BHIFYINESA-N 2 1 495.738 1.515 20 0 JDADMP CC(C)[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509527532 1073668491 /nfs/dbraw/zinc/66/84/91/1073668491.db2.gz LIPALWWQOCDKQN-BHIFYINESA-N 2 1 495.738 1.515 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561300 1073682840 /nfs/dbraw/zinc/68/28/40/1073682840.db2.gz RAEBAGOMRVMXNG-UXHICEINSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561300 1073682843 /nfs/dbraw/zinc/68/28/43/1073682843.db2.gz RAEBAGOMRVMXNG-UXHICEINSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561300 1073682845 /nfs/dbraw/zinc/68/28/45/1073682845.db2.gz RAEBAGOMRVMXNG-UXHICEINSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CC1 ZINC001509562238 1073684018 /nfs/dbraw/zinc/68/40/18/1073684018.db2.gz WXUCCRFDCPSDIS-HXUWFJFHSA-N 2 1 483.683 1.017 20 0 JDADMP CCC[N@H+](CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001500778125 1069309343 /nfs/dbraw/zinc/30/93/43/1069309343.db2.gz CRBYNZGADCNODC-HXUWFJFHSA-N 2 1 476.647 1.601 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001500778125 1069309358 /nfs/dbraw/zinc/30/93/58/1069309358.db2.gz CRBYNZGADCNODC-HXUWFJFHSA-N 2 1 476.647 1.601 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001500778125 1069309375 /nfs/dbraw/zinc/30/93/75/1069309375.db2.gz CRBYNZGADCNODC-HXUWFJFHSA-N 2 1 476.647 1.601 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001500778125 1069309394 /nfs/dbraw/zinc/30/93/94/1069309394.db2.gz CRBYNZGADCNODC-HXUWFJFHSA-N 2 1 476.647 1.601 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164405555 718863831 /nfs/dbraw/zinc/86/38/31/718863831.db2.gz FAQFRKXNZDHNEC-RXVVDRJESA-N 2 1 487.674 1.090 20 0 JDADMP CC(C)(C)C(=O)Nc1ccnc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164414972 718885259 /nfs/dbraw/zinc/88/52/59/718885259.db2.gz BXWIJKUYSMAEDE-SFHVURJKSA-N 2 1 482.633 1.571 20 0 JDADMP CC(C)(C)C(=O)Nc1ccnc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164414972 718885262 /nfs/dbraw/zinc/88/52/62/718885262.db2.gz BXWIJKUYSMAEDE-SFHVURJKSA-N 2 1 482.633 1.571 20 0 JDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164425823 718915037 /nfs/dbraw/zinc/91/50/37/718915037.db2.gz VOWCNNJRSIWRTD-KBMIEXCESA-N 2 1 475.634 1.466 20 0 JDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164425821 718915461 /nfs/dbraw/zinc/91/54/61/718915461.db2.gz VOWCNNJRSIWRTD-CLOONOSVSA-N 2 1 475.634 1.466 20 0 JDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164617181 719016082 /nfs/dbraw/zinc/01/60/82/719016082.db2.gz MXVGGAACUFZFQH-JWWGGVBKSA-N 2 1 473.618 1.610 20 0 JDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164617181 719016088 /nfs/dbraw/zinc/01/60/88/719016088.db2.gz MXVGGAACUFZFQH-JWWGGVBKSA-N 2 1 473.618 1.610 20 0 JDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164617184 719016209 /nfs/dbraw/zinc/01/62/09/719016209.db2.gz MXVGGAACUFZFQH-JYWFKMLOSA-N 2 1 473.618 1.610 20 0 JDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164617184 719016213 /nfs/dbraw/zinc/01/62/13/719016213.db2.gz MXVGGAACUFZFQH-JYWFKMLOSA-N 2 1 473.618 1.610 20 0 JDADMP CCc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(N2CCOCC2)[nH+]1 ZINC001164716666 720189114 /nfs/dbraw/zinc/18/91/14/720189114.db2.gz RFMZGOCTTWBTJR-FQEVSTJZSA-N 2 1 456.595 1.220 20 0 JDADMP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)CC1 ZINC001164823357 720329590 /nfs/dbraw/zinc/32/95/90/720329590.db2.gz AVJPLGCZRICULK-LEWJYISDSA-N 2 1 470.618 1.778 20 0 JDADMP O=C(c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CC[NH2+]CC1 ZINC001164746661 720837646 /nfs/dbraw/zinc/83/76/46/720837646.db2.gz PVLFJCIDCVJPJC-TUNNFDKTSA-N 2 1 450.591 1.098 20 0 JDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164748782 720855007 /nfs/dbraw/zinc/85/50/07/720855007.db2.gz MCUNRAOAVIYFOH-FKBYEOEOSA-N 2 1 452.607 1.826 20 0 JDADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164752275 720952440 /nfs/dbraw/zinc/95/24/40/720952440.db2.gz XFIOXPIHDWCEOG-UHFFFAOYSA-N 2 1 461.570 1.877 20 0 JDADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164752275 720952443 /nfs/dbraw/zinc/95/24/43/720952443.db2.gz XFIOXPIHDWCEOG-UHFFFAOYSA-N 2 1 461.570 1.877 20 0 JDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001164786117 721358155 /nfs/dbraw/zinc/35/81/55/721358155.db2.gz WGSIZAHUUMLIAY-RUZDIDTESA-N 2 1 468.602 1.851 20 0 JDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001164786117 721358158 /nfs/dbraw/zinc/35/81/58/721358158.db2.gz WGSIZAHUUMLIAY-RUZDIDTESA-N 2 1 468.602 1.851 20 0 JDADMP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164985421 722137336 /nfs/dbraw/zinc/13/73/36/722137336.db2.gz ZKLBPSJODFIUCV-DENIHFKCSA-N 2 1 451.575 1.039 20 0 JDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164985421 722137337 /nfs/dbraw/zinc/13/73/37/722137337.db2.gz ZKLBPSJODFIUCV-DENIHFKCSA-N 2 1 451.575 1.039 20 0 JDADMP CCC[N@@H+](CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001500789669 1069312689 /nfs/dbraw/zinc/31/26/89/1069312689.db2.gz FZYDZLIAVOVMET-FQEVSTJZSA-N 2 1 499.726 1.654 20 0 JDADMP CCC[NH+](CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001500789669 1069312706 /nfs/dbraw/zinc/31/27/06/1069312706.db2.gz FZYDZLIAVOVMET-FQEVSTJZSA-N 2 1 499.726 1.654 20 0 JDADMP CCC[NH+](CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001500789669 1069312722 /nfs/dbraw/zinc/31/27/22/1069312722.db2.gz FZYDZLIAVOVMET-FQEVSTJZSA-N 2 1 499.726 1.654 20 0 JDADMP CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001500918776 1069328877 /nfs/dbraw/zinc/32/88/77/1069328877.db2.gz YENXDZOERDHNQD-RTWAWAEBSA-N 2 1 461.655 1.697 20 0 JDADMP CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001500918776 1069328892 /nfs/dbraw/zinc/32/88/92/1069328892.db2.gz YENXDZOERDHNQD-RTWAWAEBSA-N 2 1 461.655 1.697 20 0 JDADMP CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC001500921966 1069330139 /nfs/dbraw/zinc/33/01/39/1069330139.db2.gz MMDIIEUXVBXXEP-HBFSDRIKSA-N 2 1 467.684 1.683 20 0 JDADMP CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001501040622 1069368723 /nfs/dbraw/zinc/36/87/23/1069368723.db2.gz LBDKGXMNKGHPSI-DXIQSLLYSA-N 2 1 483.683 1.064 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001501040622 1069368729 /nfs/dbraw/zinc/36/87/29/1069368729.db2.gz LBDKGXMNKGHPSI-DXIQSLLYSA-N 2 1 483.683 1.064 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCSCC2)CC1 ZINC001501774372 1069636404 /nfs/dbraw/zinc/63/64/04/1069636404.db2.gz HQUONIPLYAAVFY-UHFFFAOYSA-N 2 1 486.690 1.769 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCSCC2)CC1 ZINC001501774372 1069636412 /nfs/dbraw/zinc/63/64/12/1069636412.db2.gz HQUONIPLYAAVFY-UHFFFAOYSA-N 2 1 486.690 1.769 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001501774574 1069637984 /nfs/dbraw/zinc/63/79/84/1069637984.db2.gz JYSBIISIHONTEM-RDPSFJRHSA-N 2 1 493.722 1.600 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001501774574 1069638014 /nfs/dbraw/zinc/63/80/14/1069638014.db2.gz JYSBIISIHONTEM-RDPSFJRHSA-N 2 1 493.722 1.600 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001501775209 1069643843 /nfs/dbraw/zinc/64/38/43/1069643843.db2.gz RDTSZXIYZWACMX-SFTDATJTSA-N 2 1 461.655 1.503 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001501775209 1069643867 /nfs/dbraw/zinc/64/38/67/1069643867.db2.gz RDTSZXIYZWACMX-SFTDATJTSA-N 2 1 461.655 1.503 20 0 JDADMP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001501794098 1069720488 /nfs/dbraw/zinc/72/04/88/1069720488.db2.gz NQIDERCRHMIQTO-SFHVURJKSA-N 2 1 473.670 1.819 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001501794097 1069720900 /nfs/dbraw/zinc/72/09/00/1069720900.db2.gz NQIDERCRHMIQTO-GOSISDBHSA-N 2 1 473.670 1.819 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001501799812 1069726887 /nfs/dbraw/zinc/72/68/87/1069726887.db2.gz YRDBSBQUJLDCCH-UYAOXDASSA-N 2 1 457.627 1.152 20 0 JDADMP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCC2)CC1 ZINC001501895611 1069756219 /nfs/dbraw/zinc/75/62/19/1069756219.db2.gz INSFQAQFFPVRQH-IBGZPJMESA-N 2 1 452.669 1.977 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001501901461 1069767496 /nfs/dbraw/zinc/76/74/96/1069767496.db2.gz QBDQUVCBJPLTJY-UHFFFAOYSA-N 2 1 463.671 1.677 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001501901461 1069767515 /nfs/dbraw/zinc/76/75/15/1069767515.db2.gz QBDQUVCBJPLTJY-UHFFFAOYSA-N 2 1 463.671 1.677 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001501903547 1069770108 /nfs/dbraw/zinc/77/01/08/1069770108.db2.gz ADUOHQMKNZMFER-UHFFFAOYSA-N 2 1 483.665 1.990 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001501903634 1069771957 /nfs/dbraw/zinc/77/19/57/1069771957.db2.gz DFQQBIXGWZCDTQ-NRFANRHFSA-N 2 1 499.664 1.226 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001501903853 1069776958 /nfs/dbraw/zinc/77/69/58/1069776958.db2.gz LKMONAIQJXPWRZ-SFTDATJTSA-N 2 1 485.681 1.789 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001501907336 1069792855 /nfs/dbraw/zinc/79/28/55/1069792855.db2.gz UIPFCAKSIVJUOA-YADHBBJMSA-N 2 1 491.681 1.478 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001501907333 1069793488 /nfs/dbraw/zinc/79/34/88/1069793488.db2.gz UIPFCAKSIVJUOA-FGZHOGPDSA-N 2 1 491.681 1.478 20 0 JDADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001501934977 1069803842 /nfs/dbraw/zinc/80/38/42/1069803842.db2.gz PBIMLOIABUVBTF-BHIFYINESA-N 2 1 496.722 1.849 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001501965225 1069808763 /nfs/dbraw/zinc/80/87/63/1069808763.db2.gz RODPGCYZBQCFSB-KSEOMHKRSA-N 2 1 461.655 1.850 20 0 JDADMP COc1ccc([C@@H](CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC001477238220 1069805912 /nfs/dbraw/zinc/80/59/12/1069805912.db2.gz UEQGUHULSHFCQM-LADGPHEKSA-N 2 1 459.635 1.928 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001501951727 1069805978 /nfs/dbraw/zinc/80/59/78/1069805978.db2.gz FSVQNHNTCLELJW-NRFANRHFSA-N 2 1 471.654 1.634 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951718 1069806018 /nfs/dbraw/zinc/80/60/18/1069806018.db2.gz FNQGWIZZISUDJI-ILWGZMRPSA-N 2 1 488.681 1.340 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001501954512 1069806284 /nfs/dbraw/zinc/80/62/84/1069806284.db2.gz CGRHVDRZSZUZFJ-PMACEKPBSA-N 2 1 482.695 1.602 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001501954512 1069806285 /nfs/dbraw/zinc/80/62/85/1069806285.db2.gz CGRHVDRZSZUZFJ-PMACEKPBSA-N 2 1 482.695 1.602 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001501954513 1069806761 /nfs/dbraw/zinc/80/67/61/1069806761.db2.gz CGRHVDRZSZUZFJ-VQTJNVASSA-N 2 1 482.695 1.602 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001501954513 1069806763 /nfs/dbraw/zinc/80/67/63/1069806763.db2.gz CGRHVDRZSZUZFJ-VQTJNVASSA-N 2 1 482.695 1.602 20 0 JDADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)cc2)CC1 ZINC001477250476 1069807856 /nfs/dbraw/zinc/80/78/56/1069807856.db2.gz RDYUXDHELUSZAC-HSZRJFAPSA-N 2 1 456.635 1.272 20 0 JDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc2)CC1 ZINC001477250476 1069807857 /nfs/dbraw/zinc/80/78/57/1069807857.db2.gz RDYUXDHELUSZAC-HSZRJFAPSA-N 2 1 456.635 1.272 20 0 JDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)cc2)CC1 ZINC001477250476 1069807858 /nfs/dbraw/zinc/80/78/58/1069807858.db2.gz RDYUXDHELUSZAC-HSZRJFAPSA-N 2 1 456.635 1.272 20 0 JDADMP C[C@@H](CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001477273066 1069809247 /nfs/dbraw/zinc/80/92/47/1069809247.db2.gz VQVXPGNCFYEWQQ-QFIPXVFZSA-N 2 1 458.651 1.293 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001501982784 1069812055 /nfs/dbraw/zinc/81/20/55/1069812055.db2.gz QWRGJCYIBDXJGN-UGESXGAOSA-N 2 1 461.655 1.501 20 0 JDADMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cn2)CC1 ZINC001477413093 1069821114 /nfs/dbraw/zinc/82/11/14/1069821114.db2.gz JGQBCXLDMJLDRU-DHIUTWEWSA-N 2 1 452.603 1.516 20 0 JDADMP C[NH+]1CCC(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)(c2ccccc2)CC1 ZINC001477436801 1069824369 /nfs/dbraw/zinc/82/43/69/1069824369.db2.gz WCWIMQLPGMVNPI-UHFFFAOYSA-N 2 1 451.619 1.952 20 0 JDADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001477471522 1069825873 /nfs/dbraw/zinc/82/58/73/1069825873.db2.gz IUIJBAIHLLHSBL-VWLOTQADSA-N 2 1 451.615 1.870 20 0 JDADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)cc1 ZINC001477667912 1069842789 /nfs/dbraw/zinc/84/27/89/1069842789.db2.gz UXKNSVLSVKCBLI-QHCPKHFHSA-N 2 1 459.635 1.613 20 0 JDADMP CC[N@H+](CCn1c(-c2cnccn2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1)C(C)C ZINC001502194549 1069850257 /nfs/dbraw/zinc/85/02/57/1069850257.db2.gz JWEGFBWZUUJBTQ-UHFFFAOYSA-N 2 1 469.638 1.600 20 0 JDADMP CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1)C(C)C ZINC001502194549 1069850261 /nfs/dbraw/zinc/85/02/61/1069850261.db2.gz JWEGFBWZUUJBTQ-UHFFFAOYSA-N 2 1 469.638 1.600 20 0 JDADMP CC[NH+](CCn1c(-c2cnccn2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)C(C)C ZINC001502194549 1069850262 /nfs/dbraw/zinc/85/02/62/1069850262.db2.gz JWEGFBWZUUJBTQ-UHFFFAOYSA-N 2 1 469.638 1.600 20 0 JDADMP CC[NH+](CCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)C(C)C ZINC001502194549 1069850263 /nfs/dbraw/zinc/85/02/63/1069850263.db2.gz JWEGFBWZUUJBTQ-UHFFFAOYSA-N 2 1 469.638 1.600 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502195796 1069851518 /nfs/dbraw/zinc/85/15/18/1069851518.db2.gz BWIRABLYGILMFY-FQEVSTJZSA-N 2 1 457.627 1.405 20 0 JDADMP CC[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502195796 1069851520 /nfs/dbraw/zinc/85/15/20/1069851520.db2.gz BWIRABLYGILMFY-FQEVSTJZSA-N 2 1 457.627 1.405 20 0 JDADMP CC[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502195796 1069851521 /nfs/dbraw/zinc/85/15/21/1069851521.db2.gz BWIRABLYGILMFY-FQEVSTJZSA-N 2 1 457.627 1.405 20 0 JDADMP CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001502197822 1069852983 /nfs/dbraw/zinc/85/29/83/1069852983.db2.gz DYDPGMOWCZUTPB-KSEOMHKRSA-N 2 1 461.655 1.501 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001502197822 1069852985 /nfs/dbraw/zinc/85/29/85/1069852985.db2.gz DYDPGMOWCZUTPB-KSEOMHKRSA-N 2 1 461.655 1.501 20 0 JDADMP CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC001502203614 1069857629 /nfs/dbraw/zinc/85/76/29/1069857629.db2.gz RBUHPHKIXYOSDL-NRFANRHFSA-N 2 1 461.655 1.679 20 0 JDADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001477919275 1069876392 /nfs/dbraw/zinc/87/63/92/1069876392.db2.gz BUGPLJKYHNBJGS-GOSISDBHSA-N 2 1 451.015 1.349 20 0 JDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001477919275 1069876393 /nfs/dbraw/zinc/87/63/93/1069876393.db2.gz BUGPLJKYHNBJGS-GOSISDBHSA-N 2 1 451.015 1.349 20 0 JDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001477974382 1069885217 /nfs/dbraw/zinc/88/52/17/1069885217.db2.gz QNMGACYWKNXKKE-OFNKIYASSA-N 2 1 452.603 1.658 20 0 JDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001477974382 1069885218 /nfs/dbraw/zinc/88/52/18/1069885218.db2.gz QNMGACYWKNXKKE-OFNKIYASSA-N 2 1 452.603 1.658 20 0 JDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001477974384 1069885658 /nfs/dbraw/zinc/88/56/58/1069885658.db2.gz QNMGACYWKNXKKE-REWPJTCUSA-N 2 1 452.603 1.658 20 0 JDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001477974384 1069885661 /nfs/dbraw/zinc/88/56/61/1069885661.db2.gz QNMGACYWKNXKKE-REWPJTCUSA-N 2 1 452.603 1.658 20 0 JDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001477974802 1069885745 /nfs/dbraw/zinc/88/57/45/1069885745.db2.gz TWYZJQODVDIEJP-JOCHJYFZSA-N 2 1 457.667 1.651 20 0 JDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001477974376 1069885104 /nfs/dbraw/zinc/88/51/04/1069885104.db2.gz QNMGACYWKNXKKE-NFBKMPQASA-N 2 1 452.603 1.658 20 0 JDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001477974376 1069885105 /nfs/dbraw/zinc/88/51/05/1069885105.db2.gz QNMGACYWKNXKKE-NFBKMPQASA-N 2 1 452.603 1.658 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001502244043 1069912655 /nfs/dbraw/zinc/91/26/55/1069912655.db2.gz BBXUEMIHOWTZRH-FUMNGEBKSA-N 2 1 485.699 1.164 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001502244043 1069912690 /nfs/dbraw/zinc/91/26/90/1069912690.db2.gz BBXUEMIHOWTZRH-FUMNGEBKSA-N 2 1 485.699 1.164 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001502244043 1069912726 /nfs/dbraw/zinc/91/27/26/1069912726.db2.gz BBXUEMIHOWTZRH-FUMNGEBKSA-N 2 1 485.699 1.164 20 0 JDADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001502245004 1069921091 /nfs/dbraw/zinc/92/10/91/1069921091.db2.gz NRWJXLXRXFLPQT-RTBURBONSA-N 2 1 470.622 1.955 20 0 JDADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)CCOC)C[C@@H]1C ZINC001502248146 1069929033 /nfs/dbraw/zinc/92/90/33/1069929033.db2.gz UDDWLXJDBQLCRM-OALUTQOASA-N 2 1 478.663 1.846 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)CCOC)C[C@@H]1C ZINC001502248146 1069929080 /nfs/dbraw/zinc/92/90/80/1069929080.db2.gz UDDWLXJDBQLCRM-OALUTQOASA-N 2 1 478.663 1.846 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)CCOC)C[C@@H]1C ZINC001502248146 1069929113 /nfs/dbraw/zinc/92/91/13/1069929113.db2.gz UDDWLXJDBQLCRM-OALUTQOASA-N 2 1 478.663 1.846 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)CCOC)C[C@@H]1C ZINC001502248146 1069929150 /nfs/dbraw/zinc/92/91/50/1069929150.db2.gz UDDWLXJDBQLCRM-OALUTQOASA-N 2 1 478.663 1.846 20 0 JDADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)CCOC)C[C@H]1C ZINC001502248145 1069929512 /nfs/dbraw/zinc/92/95/12/1069929512.db2.gz UDDWLXJDBQLCRM-MOPGFXCFSA-N 2 1 478.663 1.846 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)CCOC)C[C@H]1C ZINC001502248145 1069929534 /nfs/dbraw/zinc/92/95/34/1069929534.db2.gz UDDWLXJDBQLCRM-MOPGFXCFSA-N 2 1 478.663 1.846 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)CCOC)C[C@H]1C ZINC001502248145 1069929550 /nfs/dbraw/zinc/92/95/50/1069929550.db2.gz UDDWLXJDBQLCRM-MOPGFXCFSA-N 2 1 478.663 1.846 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)CCOC)C[C@H]1C ZINC001502248145 1069929576 /nfs/dbraw/zinc/92/95/76/1069929576.db2.gz UDDWLXJDBQLCRM-MOPGFXCFSA-N 2 1 478.663 1.846 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001502258147 1069958048 /nfs/dbraw/zinc/95/80/48/1069958048.db2.gz UURMBLGEHNCWHW-DMUMMCEESA-N 2 1 483.683 1.013 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001502258147 1069958075 /nfs/dbraw/zinc/95/80/75/1069958075.db2.gz UURMBLGEHNCWHW-DMUMMCEESA-N 2 1 483.683 1.013 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001502258147 1069958106 /nfs/dbraw/zinc/95/81/06/1069958106.db2.gz UURMBLGEHNCWHW-DMUMMCEESA-N 2 1 483.683 1.013 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001502258150 1069958450 /nfs/dbraw/zinc/95/84/50/1069958450.db2.gz UURMBLGEHNCWHW-XSYGEPLQSA-N 2 1 483.683 1.013 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001502258150 1069958472 /nfs/dbraw/zinc/95/84/72/1069958472.db2.gz UURMBLGEHNCWHW-XSYGEPLQSA-N 2 1 483.683 1.013 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001502258150 1069958491 /nfs/dbraw/zinc/95/84/91/1069958491.db2.gz UURMBLGEHNCWHW-XSYGEPLQSA-N 2 1 483.683 1.013 20 0 JDADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001502262471 1069965186 /nfs/dbraw/zinc/96/51/86/1069965186.db2.gz ZKIXWOQAMKWGCG-RBUKOAKNSA-N 2 1 475.663 1.911 20 0 JDADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001502262471 1069965217 /nfs/dbraw/zinc/96/52/17/1069965217.db2.gz ZKIXWOQAMKWGCG-RBUKOAKNSA-N 2 1 475.663 1.911 20 0 JDADMP CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001502262470 1069966015 /nfs/dbraw/zinc/96/60/15/1069966015.db2.gz ZKIXWOQAMKWGCG-OALUTQOASA-N 2 1 475.663 1.911 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001502262470 1069966049 /nfs/dbraw/zinc/96/60/49/1069966049.db2.gz ZKIXWOQAMKWGCG-OALUTQOASA-N 2 1 475.663 1.911 20 0 JDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001478369293 1069979049 /nfs/dbraw/zinc/97/90/49/1069979049.db2.gz OWPCZIPUWOPUMZ-UHFFFAOYSA-N 2 1 457.685 1.496 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CC[NH+](CC)C2)CC1 ZINC001502280027 1070009702 /nfs/dbraw/zinc/00/97/02/1070009702.db2.gz HFFGDPAMTAKQRW-NHCUHLMSSA-N 2 1 461.655 1.852 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CC[NH+](CC)C2)CC1 ZINC001502280027 1070009723 /nfs/dbraw/zinc/00/97/23/1070009723.db2.gz HFFGDPAMTAKQRW-NHCUHLMSSA-N 2 1 461.655 1.852 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001502280027 1070009743 /nfs/dbraw/zinc/00/97/43/1070009743.db2.gz HFFGDPAMTAKQRW-NHCUHLMSSA-N 2 1 461.655 1.852 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001502280027 1070009766 /nfs/dbraw/zinc/00/97/66/1070009766.db2.gz HFFGDPAMTAKQRW-NHCUHLMSSA-N 2 1 461.655 1.852 20 0 JDADMP CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001502282053 1070016106 /nfs/dbraw/zinc/01/61/06/1070016106.db2.gz RDLOMBBIYCTKCU-FCEUIQTBSA-N 2 1 488.681 1.280 20 0 JDADMP CC[NH+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502282053 1070016125 /nfs/dbraw/zinc/01/61/25/1070016125.db2.gz RDLOMBBIYCTKCU-FCEUIQTBSA-N 2 1 488.681 1.280 20 0 JDADMP CC[NH+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502282053 1070016140 /nfs/dbraw/zinc/01/61/40/1070016140.db2.gz RDLOMBBIYCTKCU-FCEUIQTBSA-N 2 1 488.681 1.280 20 0 JDADMP CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001502281661 1070015050 /nfs/dbraw/zinc/01/50/50/1070015050.db2.gz LCYCMRUWDUTYNP-UNMCSNQZSA-N 2 1 489.690 1.737 20 0 JDADMP CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001502291796 1070031226 /nfs/dbraw/zinc/03/12/26/1070031226.db2.gz HSGQHXFXQICKQI-KSEOMHKRSA-N 2 1 488.681 1.280 20 0 JDADMP CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001502291796 1070031243 /nfs/dbraw/zinc/03/12/43/1070031243.db2.gz HSGQHXFXQICKQI-KSEOMHKRSA-N 2 1 488.681 1.280 20 0 JDADMP CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001502292174 1070033920 /nfs/dbraw/zinc/03/39/20/1070033920.db2.gz NJJQNXMLMCQWQB-CTNGQTDRSA-N 2 1 461.655 1.980 20 0 JDADMP CC[NH+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001502292174 1070033936 /nfs/dbraw/zinc/03/39/36/1070033936.db2.gz NJJQNXMLMCQWQB-CTNGQTDRSA-N 2 1 461.655 1.980 20 0 JDADMP CC[NH+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001502292174 1070033943 /nfs/dbraw/zinc/03/39/43/1070033943.db2.gz NJJQNXMLMCQWQB-CTNGQTDRSA-N 2 1 461.655 1.980 20 0 JDADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001502313081 1070087299 /nfs/dbraw/zinc/08/72/99/1070087299.db2.gz XRALWGMOSNQJJZ-HSZRJFAPSA-N 2 1 496.704 1.962 20 0 JDADMP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502315173 1070097866 /nfs/dbraw/zinc/09/78/66/1070097866.db2.gz IILRLHVDOLNGTB-FCHUYYIVSA-N 2 1 470.666 1.447 20 0 JDADMP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502315175 1070098221 /nfs/dbraw/zinc/09/82/21/1070098221.db2.gz IILRLHVDOLNGTB-VXKWHMMOSA-N 2 1 470.666 1.447 20 0 JDADMP CC[NH+]1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001502315705 1070104605 /nfs/dbraw/zinc/10/46/05/1070104605.db2.gz TTYOEIPNXNZKAR-PMACEKPBSA-N 2 1 488.706 1.826 20 0 JDADMP CC[NH+]1CCN(c2ccc(Cn3c(C)nnc3N(C)CC[N@@H+]3CCOC(C)(C)C3)cn2)CC1 ZINC001502316224 1070111479 /nfs/dbraw/zinc/11/14/79/1070111479.db2.gz CPINSRKADLAKPN-UHFFFAOYSA-N 2 1 456.639 1.719 20 0 JDADMP CC[NH+]1CCN(c2ccc(Cn3c(C)nnc3N(C)CC[N@H+]3CCOC(C)(C)C3)cn2)CC1 ZINC001502316224 1070111486 /nfs/dbraw/zinc/11/14/86/1070111486.db2.gz CPINSRKADLAKPN-UHFFFAOYSA-N 2 1 456.639 1.719 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC001502317820 1070123015 /nfs/dbraw/zinc/12/30/15/1070123015.db2.gz OREJXXMBZFGTTA-ZCNNSNEGSA-N 2 1 489.690 1.866 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001502317820 1070123058 /nfs/dbraw/zinc/12/30/58/1070123058.db2.gz OREJXXMBZFGTTA-ZCNNSNEGSA-N 2 1 489.690 1.866 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001502317820 1070123088 /nfs/dbraw/zinc/12/30/88/1070123088.db2.gz OREJXXMBZFGTTA-ZCNNSNEGSA-N 2 1 489.690 1.866 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502317868 1070123485 /nfs/dbraw/zinc/12/34/85/1070123485.db2.gz PNCSRYQXPSQKQB-GAJHUEQPSA-N 2 1 476.025 1.459 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001502317868 1070123507 /nfs/dbraw/zinc/12/35/07/1070123507.db2.gz PNCSRYQXPSQKQB-GAJHUEQPSA-N 2 1 476.025 1.459 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001502317868 1070123536 /nfs/dbraw/zinc/12/35/36/1070123536.db2.gz PNCSRYQXPSQKQB-GAJHUEQPSA-N 2 1 476.025 1.459 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001502318814 1070129884 /nfs/dbraw/zinc/12/98/84/1070129884.db2.gz GTTFPAILVGSBAU-ZWKOTPCHSA-N 2 1 455.673 1.541 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001502318814 1070129900 /nfs/dbraw/zinc/12/99/00/1070129900.db2.gz GTTFPAILVGSBAU-ZWKOTPCHSA-N 2 1 455.673 1.541 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001502318814 1070129925 /nfs/dbraw/zinc/12/99/25/1070129925.db2.gz GTTFPAILVGSBAU-ZWKOTPCHSA-N 2 1 455.673 1.541 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001502318812 1070130584 /nfs/dbraw/zinc/13/05/84/1070130584.db2.gz GTTFPAILVGSBAU-QZTJIDSGSA-N 2 1 455.673 1.541 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001502318812 1070130594 /nfs/dbraw/zinc/13/05/94/1070130594.db2.gz GTTFPAILVGSBAU-QZTJIDSGSA-N 2 1 455.673 1.541 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001502318812 1070130605 /nfs/dbraw/zinc/13/06/05/1070130605.db2.gz GTTFPAILVGSBAU-QZTJIDSGSA-N 2 1 455.673 1.541 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001502326521 1070146394 /nfs/dbraw/zinc/14/63/94/1070146394.db2.gz YATYUNDDOVLYDU-UMEGOILYSA-N 2 1 491.681 1.990 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502326521 1070146343 /nfs/dbraw/zinc/14/63/43/1070146343.db2.gz YATYUNDDOVLYDU-UMEGOILYSA-N 2 1 491.681 1.990 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001502326521 1070146366 /nfs/dbraw/zinc/14/63/66/1070146366.db2.gz YATYUNDDOVLYDU-UMEGOILYSA-N 2 1 491.681 1.990 20 0 JDADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001502329967 1070164161 /nfs/dbraw/zinc/16/41/61/1070164161.db2.gz LXUYUVCSPCVOIB-KRWDZBQOSA-N 2 1 463.677 1.849 20 0 JDADMP CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001502343956 1070248296 /nfs/dbraw/zinc/24/82/96/1070248296.db2.gz WZLKQUKGRZHDHY-SFTDATJTSA-N 2 1 460.671 1.281 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493263102 1070268891 /nfs/dbraw/zinc/26/88/91/1070268891.db2.gz OVHHZOROOUUFHL-QHAWAJNXSA-N 2 1 461.655 1.695 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493263102 1070268921 /nfs/dbraw/zinc/26/89/21/1070268921.db2.gz OVHHZOROOUUFHL-QHAWAJNXSA-N 2 1 461.655 1.695 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493263102 1070268950 /nfs/dbraw/zinc/26/89/50/1070268950.db2.gz OVHHZOROOUUFHL-QHAWAJNXSA-N 2 1 461.655 1.695 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493263102 1070269000 /nfs/dbraw/zinc/26/90/00/1070269000.db2.gz OVHHZOROOUUFHL-QHAWAJNXSA-N 2 1 461.655 1.695 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001502352681 1070275210 /nfs/dbraw/zinc/27/52/10/1070275210.db2.gz KYWKKSUHVMYXSH-UPVQGACJSA-N 2 1 488.725 1.808 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001502352681 1070275238 /nfs/dbraw/zinc/27/52/38/1070275238.db2.gz KYWKKSUHVMYXSH-UPVQGACJSA-N 2 1 488.725 1.808 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001502352681 1070275267 /nfs/dbraw/zinc/27/52/67/1070275267.db2.gz KYWKKSUHVMYXSH-UPVQGACJSA-N 2 1 488.725 1.808 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001502352639 1070275392 /nfs/dbraw/zinc/27/53/92/1070275392.db2.gz JSIUHYRLKLFLBT-UHFFFAOYSA-N 2 1 483.665 1.874 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001502352639 1070275412 /nfs/dbraw/zinc/27/54/12/1070275412.db2.gz JSIUHYRLKLFLBT-UHFFFAOYSA-N 2 1 483.665 1.874 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001502352639 1070275432 /nfs/dbraw/zinc/27/54/32/1070275432.db2.gz JSIUHYRLKLFLBT-UHFFFAOYSA-N 2 1 483.665 1.874 20 0 JDADMP CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001502355533 1070287270 /nfs/dbraw/zinc/28/72/70/1070287270.db2.gz ZHHGHMUJHZKXBZ-HXUWFJFHSA-N 2 1 498.742 1.227 20 0 JDADMP CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001502355533 1070287291 /nfs/dbraw/zinc/28/72/91/1070287291.db2.gz ZHHGHMUJHZKXBZ-HXUWFJFHSA-N 2 1 498.742 1.227 20 0 JDADMP CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001502355533 1070287337 /nfs/dbraw/zinc/28/73/37/1070287337.db2.gz ZHHGHMUJHZKXBZ-HXUWFJFHSA-N 2 1 498.742 1.227 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493796716 1070348753 /nfs/dbraw/zinc/34/87/53/1070348753.db2.gz MGSDMKUZQHNOSN-AABGKKOBSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001493796716 1070348766 /nfs/dbraw/zinc/34/87/66/1070348766.db2.gz MGSDMKUZQHNOSN-AABGKKOBSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001493796716 1070348780 /nfs/dbraw/zinc/34/87/80/1070348780.db2.gz MGSDMKUZQHNOSN-AABGKKOBSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001493866781 1070366520 /nfs/dbraw/zinc/36/65/20/1070366520.db2.gz YPMGOQCKAIKSPW-UXHICEINSA-N 2 1 499.726 1.556 20 0 JDADMP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001493866781 1070366543 /nfs/dbraw/zinc/36/65/43/1070366543.db2.gz YPMGOQCKAIKSPW-UXHICEINSA-N 2 1 499.726 1.556 20 0 JDADMP C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001493866784 1070366685 /nfs/dbraw/zinc/36/66/85/1070366685.db2.gz YPMGOQCKAIKSPW-WOJBJXKFSA-N 2 1 499.726 1.556 20 0 JDADMP C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001493866784 1070366701 /nfs/dbraw/zinc/36/67/01/1070366701.db2.gz YPMGOQCKAIKSPW-WOJBJXKFSA-N 2 1 499.726 1.556 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494097423 1070392160 /nfs/dbraw/zinc/39/21/60/1070392160.db2.gz UHZHTLRXCASMNE-OTWHNJEPSA-N 2 1 497.710 1.308 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001494189968 1070462397 /nfs/dbraw/zinc/46/23/97/1070462397.db2.gz GDOGLMMKOWQHPE-SVMVAKDDSA-N 2 1 499.751 1.636 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001494201250 1070488202 /nfs/dbraw/zinc/48/82/02/1070488202.db2.gz OAKXRQADILVEAE-MSOLQXFVSA-N 2 1 485.724 1.248 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494519264 1070611292 /nfs/dbraw/zinc/61/12/92/1070611292.db2.gz OATFKJAPASXLKJ-QHAWAJNXSA-N 2 1 497.710 1.454 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001494525128 1070617072 /nfs/dbraw/zinc/61/70/72/1070617072.db2.gz RMUDTYXUTLEBEM-NJYVYQBISA-N 2 1 472.638 1.781 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001494525128 1070617079 /nfs/dbraw/zinc/61/70/79/1070617079.db2.gz RMUDTYXUTLEBEM-NJYVYQBISA-N 2 1 472.638 1.781 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001494525128 1070617083 /nfs/dbraw/zinc/61/70/83/1070617083.db2.gz RMUDTYXUTLEBEM-NJYVYQBISA-N 2 1 472.638 1.781 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cnccn3)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001494525128 1070617091 /nfs/dbraw/zinc/61/70/91/1070617091.db2.gz RMUDTYXUTLEBEM-NJYVYQBISA-N 2 1 472.638 1.781 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001502662774 1070739518 /nfs/dbraw/zinc/73/95/18/1070739518.db2.gz ULFUGNBOKRBQRU-JXALWOEJSA-N 2 1 464.655 1.675 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[C@H](C[NH+](CC)CC)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001502680743 1070769602 /nfs/dbraw/zinc/76/96/02/1070769602.db2.gz WQNFTURCLKGJMN-WTIAFYNJSA-N 2 1 450.628 1.165 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502715602 1070823767 /nfs/dbraw/zinc/82/37/67/1070823767.db2.gz WRQZQTQXRIZPLD-GBXCKJPGSA-N 2 1 464.655 1.698 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502715603 1070823823 /nfs/dbraw/zinc/82/38/23/1070823823.db2.gz WRQZQTQXRIZPLD-HYBUGGRVSA-N 2 1 464.655 1.698 20 0 JDADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001496116475 1070831101 /nfs/dbraw/zinc/83/11/01/1070831101.db2.gz ODYDBTPHHBZJPQ-FHWLQOOXSA-N 2 1 455.673 1.683 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001502724841 1070834272 /nfs/dbraw/zinc/83/42/72/1070834272.db2.gz FDQVXYWRLYZCPJ-ZFGGDYGUSA-N 2 1 464.655 1.819 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001502724841 1070834276 /nfs/dbraw/zinc/83/42/76/1070834276.db2.gz FDQVXYWRLYZCPJ-ZFGGDYGUSA-N 2 1 464.655 1.819 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@@H](C)C3)n2C[C@@H]2CCCC[N@H+]2CC)CCOC1 ZINC001502726629 1070837588 /nfs/dbraw/zinc/83/75/88/1070837588.db2.gz YVFMSCAYCROQJH-AWRGLXIESA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2C[C@@H]2CCCC[NH+]2CC)CCOC1 ZINC001502726629 1070837590 /nfs/dbraw/zinc/83/75/90/1070837590.db2.gz YVFMSCAYCROQJH-AWRGLXIESA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2C[C@@H]2CCCC[NH+]2CC)CCOC1 ZINC001502726629 1070837591 /nfs/dbraw/zinc/83/75/91/1070837591.db2.gz YVFMSCAYCROQJH-AWRGLXIESA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@@H](C)C3)n2C[C@H]2CCCC[N@H+]2CC)CCOC1 ZINC001502726631 1070837825 /nfs/dbraw/zinc/83/78/25/1070837825.db2.gz YVFMSCAYCROQJH-YZUZCNPQSA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2C[C@H]2CCCC[NH+]2CC)CCOC1 ZINC001502726631 1070837826 /nfs/dbraw/zinc/83/78/26/1070837826.db2.gz YVFMSCAYCROQJH-YZUZCNPQSA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2C[C@H]2CCCC[NH+]2CC)CCOC1 ZINC001502726631 1070837827 /nfs/dbraw/zinc/83/78/27/1070837827.db2.gz YVFMSCAYCROQJH-YZUZCNPQSA-N 2 1 464.655 1.962 20 0 JDADMP COc1cc(OC)cc(-c2nnc(N3C[C@H]([NH+]4CCN(C(C)=O)CC4)[C@@H](C)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001504119930 1070841778 /nfs/dbraw/zinc/84/17/78/1070841778.db2.gz LNVRAZKGTVDEIR-GLDPYIMESA-N 2 1 499.660 1.901 20 0 JDADMP COc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCOCC[NH+](C)C)c(OC)c1 ZINC001504200128 1070878767 /nfs/dbraw/zinc/87/87/67/1070878767.db2.gz OEINGIYYBDZGST-GOSISDBHSA-N 2 1 460.579 1.061 20 0 JDADMP COc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCOCC[NH+](C)C)c(OC)c1 ZINC001504200128 1070878769 /nfs/dbraw/zinc/87/87/69/1070878769.db2.gz OEINGIYYBDZGST-GOSISDBHSA-N 2 1 460.579 1.061 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC[NH+]1CCC[C@@H]1C ZINC001503029480 1070979747 /nfs/dbraw/zinc/97/97/47/1070979747.db2.gz AEGJRGSXLUFLHZ-JAXLGGSGSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001503029480 1070979776 /nfs/dbraw/zinc/97/97/76/1070979776.db2.gz AEGJRGSXLUFLHZ-JAXLGGSGSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001503029480 1070979792 /nfs/dbraw/zinc/97/97/92/1070979792.db2.gz AEGJRGSXLUFLHZ-JAXLGGSGSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001503034528 1070992300 /nfs/dbraw/zinc/99/23/00/1070992300.db2.gz RJOLEWUPPXMKSF-CTNGQTDRSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503034748 1070994372 /nfs/dbraw/zinc/99/43/72/1070994372.db2.gz TVSFRKRMNRDRNF-UNMCSNQZSA-N 2 1 491.681 1.039 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503041607 1071004022 /nfs/dbraw/zinc/00/40/22/1071004022.db2.gz UBVSZJVMAOLCIU-SFTDATJTSA-N 2 1 464.655 1.597 20 0 JDADMP CCOCc1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001503039970 1071001605 /nfs/dbraw/zinc/00/16/05/1071001605.db2.gz XEYKXPPULAVBAN-CTNGQTDRSA-N 2 1 450.628 1.208 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001503039971 1071002208 /nfs/dbraw/zinc/00/22/08/1071002208.db2.gz XEYKXPPULAVBAN-FPOVZHCZSA-N 2 1 450.628 1.208 20 0 JDADMP CCOCc1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001503039975 1071002904 /nfs/dbraw/zinc/00/29/04/1071002904.db2.gz XEYKXPPULAVBAN-TZIWHRDSSA-N 2 1 450.628 1.208 20 0 JDADMP CCOCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001503056822 1071011741 /nfs/dbraw/zinc/01/17/41/1071011741.db2.gz MHKQCUZTEIBCIO-QFIPXVFZSA-N 2 1 464.655 1.720 20 0 JDADMP CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503060908 1071017062 /nfs/dbraw/zinc/01/70/62/1071017062.db2.gz LAXKFJPLAWJZQQ-FGZHOGPDSA-N 2 1 463.671 1.388 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001503098198 1071042579 /nfs/dbraw/zinc/04/25/79/1071042579.db2.gz LQIYAPSQVYCONE-MOPGFXCFSA-N 2 1 459.595 1.453 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001503099220 1071045461 /nfs/dbraw/zinc/04/54/61/1071045461.db2.gz QIDXUFQGWASAPN-RTWAWAEBSA-N 2 1 461.655 1.679 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001503099223 1071045499 /nfs/dbraw/zinc/04/54/99/1071045499.db2.gz QIDXUFQGWASAPN-SFTDATJTSA-N 2 1 461.655 1.679 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCCC2)C[C@H]1CC ZINC001503215780 1071165234 /nfs/dbraw/zinc/16/52/34/1071165234.db2.gz JMZKYVOWGSTSEU-OAQYLSRUSA-N 2 1 461.655 1.937 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001503216690 1071166246 /nfs/dbraw/zinc/16/62/46/1071166246.db2.gz PIWVCIODEVPLJC-HXUWFJFHSA-N 2 1 470.622 1.958 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001503216690 1071166268 /nfs/dbraw/zinc/16/62/68/1071166268.db2.gz PIWVCIODEVPLJC-HXUWFJFHSA-N 2 1 470.622 1.958 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001503219378 1071172453 /nfs/dbraw/zinc/17/24/53/1071172453.db2.gz CHMKQGBFFABTKK-NMMYMHLASA-N 2 1 461.655 1.898 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001503222073 1071179585 /nfs/dbraw/zinc/17/95/85/1071179585.db2.gz WOVVXPSFSJJTRC-LEWJYISDSA-N 2 1 461.655 1.756 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001503222073 1071179591 /nfs/dbraw/zinc/17/95/91/1071179591.db2.gz WOVVXPSFSJJTRC-LEWJYISDSA-N 2 1 461.655 1.756 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001503222079 1071181118 /nfs/dbraw/zinc/18/11/18/1071181118.db2.gz WOVVXPSFSJJTRC-RTWAWAEBSA-N 2 1 461.655 1.756 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001503222079 1071181133 /nfs/dbraw/zinc/18/11/33/1071181133.db2.gz WOVVXPSFSJJTRC-RTWAWAEBSA-N 2 1 461.655 1.756 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001503223836 1071191096 /nfs/dbraw/zinc/19/10/96/1071191096.db2.gz UOFRWQSRWYAEQA-UHFFFAOYSA-N 2 1 457.623 1.533 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001503224509 1071193184 /nfs/dbraw/zinc/19/31/84/1071193184.db2.gz UHMSNTKGERSHSS-YADHBBJMSA-N 2 1 478.682 1.954 20 0 JDADMP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC001504489019 1071262907 /nfs/dbraw/zinc/26/29/07/1071262907.db2.gz DQSHKEZVOKDCEH-FHWLQOOXSA-N 2 1 497.710 1.451 20 0 JDADMP COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC001504489487 1071263594 /nfs/dbraw/zinc/26/35/94/1071263594.db2.gz ICWBTYMNBMQBNV-MOPGFXCFSA-N 2 1 497.710 1.452 20 0 JDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503357964 1071561852 /nfs/dbraw/zinc/56/18/52/1071561852.db2.gz CEGAMOLHAIRYSG-RTBURBONSA-N 2 1 474.654 1.092 20 0 JDADMP C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001503383135 1071638984 /nfs/dbraw/zinc/63/89/84/1071638984.db2.gz QMSGGPDHIWEWHB-VQTJNVASSA-N 2 1 497.710 1.262 20 0 JDADMP C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001503383132 1071639063 /nfs/dbraw/zinc/63/90/63/1071639063.db2.gz QMSGGPDHIWEWHB-PMACEKPBSA-N 2 1 497.710 1.262 20 0 JDADMP C[NH+](C)CC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503398206 1071657424 /nfs/dbraw/zinc/65/74/24/1071657424.db2.gz IDVFWXHCZHAPTP-NRFANRHFSA-N 2 1 468.650 1.595 20 0 JDADMP COCC[N@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001504851941 1071752130 /nfs/dbraw/zinc/75/21/30/1071752130.db2.gz SDQBORFEKLCJFP-OFNKIYASSA-N 2 1 450.628 1.789 20 0 JDADMP COCC[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001504851941 1071752138 /nfs/dbraw/zinc/75/21/38/1071752138.db2.gz SDQBORFEKLCJFP-OFNKIYASSA-N 2 1 450.628 1.789 20 0 JDADMP COCC[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001504850689 1071749225 /nfs/dbraw/zinc/74/92/25/1071749225.db2.gz KSRPMKWCFVTRRL-IBGZPJMESA-N 2 1 470.684 1.459 20 0 JDADMP COCC[NH+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001504850689 1071749238 /nfs/dbraw/zinc/74/92/38/1071749238.db2.gz KSRPMKWCFVTRRL-IBGZPJMESA-N 2 1 470.684 1.459 20 0 JDADMP COCC[NH+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001504850689 1071749248 /nfs/dbraw/zinc/74/92/48/1071749248.db2.gz KSRPMKWCFVTRRL-IBGZPJMESA-N 2 1 470.684 1.459 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001504852170 1071753250 /nfs/dbraw/zinc/75/32/50/1071753250.db2.gz SLMUFVOFZAFNON-JOCHJYFZSA-N 2 1 469.634 1.656 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001504852170 1071753256 /nfs/dbraw/zinc/75/32/56/1071753256.db2.gz SLMUFVOFZAFNON-JOCHJYFZSA-N 2 1 469.634 1.656 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001504852170 1071753263 /nfs/dbraw/zinc/75/32/63/1071753263.db2.gz SLMUFVOFZAFNON-JOCHJYFZSA-N 2 1 469.634 1.656 20 0 JDADMP COCC[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504852267 1071753373 /nfs/dbraw/zinc/75/33/73/1071753373.db2.gz TZGOXKBTNZHYFM-NFBKMPQASA-N 2 1 486.665 1.241 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504852267 1071753378 /nfs/dbraw/zinc/75/33/78/1071753378.db2.gz TZGOXKBTNZHYFM-NFBKMPQASA-N 2 1 486.665 1.241 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001504854316 1071763104 /nfs/dbraw/zinc/76/31/04/1071763104.db2.gz PTNFNWZIJIECIY-XMMPIXPASA-N 2 1 458.607 1.833 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001504854316 1071763116 /nfs/dbraw/zinc/76/31/16/1071763116.db2.gz PTNFNWZIJIECIY-XMMPIXPASA-N 2 1 458.607 1.833 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001504855982 1071768559 /nfs/dbraw/zinc/76/85/59/1071768559.db2.gz QEZBWBPWNVLQGU-UHFFFAOYSA-N 2 1 470.666 1.913 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001504855982 1071768567 /nfs/dbraw/zinc/76/85/67/1071768567.db2.gz QEZBWBPWNVLQGU-UHFFFAOYSA-N 2 1 470.666 1.913 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001504855970 1071768751 /nfs/dbraw/zinc/76/87/51/1071768751.db2.gz PNWMQJXLDFYHAB-UHFFFAOYSA-N 2 1 473.670 1.252 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001504855970 1071768756 /nfs/dbraw/zinc/76/87/56/1071768756.db2.gz PNWMQJXLDFYHAB-UHFFFAOYSA-N 2 1 473.670 1.252 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001504855970 1071768774 /nfs/dbraw/zinc/76/87/74/1071768774.db2.gz PNWMQJXLDFYHAB-UHFFFAOYSA-N 2 1 473.670 1.252 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001504856038 1071768943 /nfs/dbraw/zinc/76/89/43/1071768943.db2.gz XLWMWGHLNFHOJE-QGZVFWFLSA-N 2 1 497.413 1.946 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001504856038 1071768959 /nfs/dbraw/zinc/76/89/59/1071768959.db2.gz XLWMWGHLNFHOJE-QGZVFWFLSA-N 2 1 497.413 1.946 20 0 JDADMP COCC[NH+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001504856038 1071768985 /nfs/dbraw/zinc/76/89/85/1071768985.db2.gz XLWMWGHLNFHOJE-QGZVFWFLSA-N 2 1 497.413 1.946 20 0 JDADMP COCC[NH+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001504856038 1071769001 /nfs/dbraw/zinc/76/90/01/1071769001.db2.gz XLWMWGHLNFHOJE-QGZVFWFLSA-N 2 1 497.413 1.946 20 0 JDADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001503449070 1071769864 /nfs/dbraw/zinc/76/98/64/1071769864.db2.gz NJROARDWUWIHLC-IBGZPJMESA-N 2 1 482.695 1.459 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001504855982 1071768550 /nfs/dbraw/zinc/76/85/50/1071768550.db2.gz QEZBWBPWNVLQGU-UHFFFAOYSA-N 2 1 470.666 1.913 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001504904725 1071844968 /nfs/dbraw/zinc/84/49/68/1071844968.db2.gz QAQDSVLTADWQGZ-ROUUACIJSA-N 2 1 478.041 1.969 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001504905016 1071846102 /nfs/dbraw/zinc/84/61/02/1071846102.db2.gz QXJNOCXADRWOPE-VQTJNVASSA-N 2 1 470.622 1.814 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001504905016 1071846108 /nfs/dbraw/zinc/84/61/08/1071846108.db2.gz QXJNOCXADRWOPE-VQTJNVASSA-N 2 1 470.622 1.814 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001504906491 1071850567 /nfs/dbraw/zinc/85/05/67/1071850567.db2.gz YWEHQNSTKCFRJQ-LAUBAEHRSA-N 2 1 453.657 1.011 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001504909509 1071861418 /nfs/dbraw/zinc/86/14/18/1071861418.db2.gz ZUYYZFSSHRCQGP-MOPGFXCFSA-N 2 1 485.699 1.167 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001504909509 1071861419 /nfs/dbraw/zinc/86/14/19/1071861419.db2.gz ZUYYZFSSHRCQGP-MOPGFXCFSA-N 2 1 485.699 1.167 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001504909509 1071861426 /nfs/dbraw/zinc/86/14/26/1071861426.db2.gz ZUYYZFSSHRCQGP-MOPGFXCFSA-N 2 1 485.699 1.167 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCCCC2)CC1 ZINC001504910136 1071863975 /nfs/dbraw/zinc/86/39/75/1071863975.db2.gz HXRQLNVBEBIZOU-UHFFFAOYSA-N 2 1 490.674 1.993 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCSCC2)CC1 ZINC001504912653 1071871311 /nfs/dbraw/zinc/87/13/11/1071871311.db2.gz SGTHUQVIFXVQEE-UHFFFAOYSA-N 2 1 452.028 1.811 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001504917377 1071883348 /nfs/dbraw/zinc/88/33/48/1071883348.db2.gz LDDMHIMWHFXPIO-OAQYLSRUSA-N 2 1 461.655 1.756 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504917728 1071883698 /nfs/dbraw/zinc/88/36/98/1071883698.db2.gz WLKIAQKLIKNSGW-PZJWPPBQSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001504916003 1071879136 /nfs/dbraw/zinc/87/91/36/1071879136.db2.gz PKLQLGGDKCDPNG-IRLDBZIGSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001504916003 1071879141 /nfs/dbraw/zinc/87/91/41/1071879141.db2.gz PKLQLGGDKCDPNG-IRLDBZIGSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001504916003 1071879143 /nfs/dbraw/zinc/87/91/43/1071879143.db2.gz PKLQLGGDKCDPNG-IRLDBZIGSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504916006 1071879354 /nfs/dbraw/zinc/87/93/54/1071879354.db2.gz PKLQLGGDKCDPNG-UNMCSNQZSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504916006 1071879358 /nfs/dbraw/zinc/87/93/58/1071879358.db2.gz PKLQLGGDKCDPNG-UNMCSNQZSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504916006 1071879364 /nfs/dbraw/zinc/87/93/64/1071879364.db2.gz PKLQLGGDKCDPNG-UNMCSNQZSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001504916267 1071879928 /nfs/dbraw/zinc/87/99/28/1071879928.db2.gz CIJZFXWYQSKYMV-HXUWFJFHSA-N 2 1 459.570 1.269 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001504916267 1071879933 /nfs/dbraw/zinc/87/99/33/1071879933.db2.gz CIJZFXWYQSKYMV-HXUWFJFHSA-N 2 1 459.570 1.269 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001504922361 1071897907 /nfs/dbraw/zinc/89/79/07/1071897907.db2.gz ILNWHYQWISFZDO-SFTDATJTSA-N 2 1 457.623 1.532 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001504922521 1071898454 /nfs/dbraw/zinc/89/84/54/1071898454.db2.gz KGSYBQUVRNMOKT-OAQYLSRUSA-N 2 1 457.623 1.533 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001504922521 1071898455 /nfs/dbraw/zinc/89/84/55/1071898455.db2.gz KGSYBQUVRNMOKT-OAQYLSRUSA-N 2 1 457.623 1.533 20 0 JDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001503617880 1071904034 /nfs/dbraw/zinc/90/40/34/1071904034.db2.gz DYMHVPCCWBBZGQ-HXUWFJFHSA-N 2 1 463.671 1.703 20 0 JDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001503617880 1071904041 /nfs/dbraw/zinc/90/40/41/1071904041.db2.gz DYMHVPCCWBBZGQ-HXUWFJFHSA-N 2 1 463.671 1.703 20 0 JDADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001503617880 1071904045 /nfs/dbraw/zinc/90/40/45/1071904045.db2.gz DYMHVPCCWBBZGQ-HXUWFJFHSA-N 2 1 463.671 1.703 20 0 JDADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001503617880 1071904050 /nfs/dbraw/zinc/90/40/50/1071904050.db2.gz DYMHVPCCWBBZGQ-HXUWFJFHSA-N 2 1 463.671 1.703 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001504923871 1071904966 /nfs/dbraw/zinc/90/49/66/1071904966.db2.gz KNIODYGHGBBSSH-NRFANRHFSA-N 2 1 461.655 1.679 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001504924135 1071906064 /nfs/dbraw/zinc/90/60/64/1071906064.db2.gz ODRIQHOWJCQYLN-OAQYLSRUSA-N 2 1 473.597 1.611 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001504946789 1071989848 /nfs/dbraw/zinc/98/98/48/1071989848.db2.gz QUQFHLXRUQZMHC-BHDDXSALSA-N 2 1 494.681 1.394 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001504949652 1071993942 /nfs/dbraw/zinc/99/39/42/1071993942.db2.gz IPBXKVLBDUTQIZ-VAMGGRTRSA-N 2 1 450.628 1.522 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001504949674 1071994400 /nfs/dbraw/zinc/99/44/00/1071994400.db2.gz IUHLDBIAWPXHQU-AQNXPRMDSA-N 2 1 450.628 1.786 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001504949656 1071994505 /nfs/dbraw/zinc/99/45/05/1071994505.db2.gz IPBXKVLBDUTQIZ-ZCNNSNEGSA-N 2 1 450.628 1.522 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001504949678 1071994706 /nfs/dbraw/zinc/99/47/06/1071994706.db2.gz IUHLDBIAWPXHQU-XUVXKRRUSA-N 2 1 450.628 1.786 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[NH+]1CCCCC1 ZINC001504957524 1072001705 /nfs/dbraw/zinc/00/17/05/1072001705.db2.gz KRVFSVQQGFGLPV-REWPJTCUSA-N 2 1 450.628 1.789 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCn1cc[nH+]c1C ZINC001504994747 1072062989 /nfs/dbraw/zinc/06/29/89/1072062989.db2.gz NDTMNQPRXLOZNW-MOPGFXCFSA-N 2 1 461.611 1.897 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCn1cc[nH+]c1C ZINC001504994747 1072063010 /nfs/dbraw/zinc/06/30/10/1072063010.db2.gz NDTMNQPRXLOZNW-MOPGFXCFSA-N 2 1 461.611 1.897 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001504994789 1072063673 /nfs/dbraw/zinc/06/36/73/1072063673.db2.gz KPADTUBTPKXTGU-AVRDEDQJSA-N 2 1 464.636 1.452 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504994789 1072063678 /nfs/dbraw/zinc/06/36/78/1072063678.db2.gz KPADTUBTPKXTGU-AVRDEDQJSA-N 2 1 464.636 1.452 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001505002021 1072081360 /nfs/dbraw/zinc/08/13/60/1072081360.db2.gz YHLGBCLJOFPXKX-BHIFYINESA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001505002021 1072081372 /nfs/dbraw/zinc/08/13/72/1072081372.db2.gz YHLGBCLJOFPXKX-BHIFYINESA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001505002021 1072081382 /nfs/dbraw/zinc/08/13/82/1072081382.db2.gz YHLGBCLJOFPXKX-BHIFYINESA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001505002021 1072081393 /nfs/dbraw/zinc/08/13/93/1072081393.db2.gz YHLGBCLJOFPXKX-BHIFYINESA-N 2 1 464.655 1.891 20 0 JDADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC001465471916 1067803240 /nfs/dbraw/zinc/80/32/40/1067803240.db2.gz DCEHZVULBFIWKE-UNMCSNQZSA-N 2 1 457.619 1.584 20 0 JDADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC1=O ZINC001465471916 1067803250 /nfs/dbraw/zinc/80/32/50/1067803250.db2.gz DCEHZVULBFIWKE-UNMCSNQZSA-N 2 1 457.619 1.584 20 0 JDADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC1=O ZINC001465471916 1067803252 /nfs/dbraw/zinc/80/32/52/1067803252.db2.gz DCEHZVULBFIWKE-UNMCSNQZSA-N 2 1 457.619 1.584 20 0 JDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC001465471915 1067803298 /nfs/dbraw/zinc/80/32/98/1067803298.db2.gz DCEHZVULBFIWKE-RBBKRZOGSA-N 2 1 457.619 1.584 20 0 JDADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC1=O ZINC001465471915 1067803307 /nfs/dbraw/zinc/80/33/07/1067803307.db2.gz DCEHZVULBFIWKE-RBBKRZOGSA-N 2 1 457.619 1.584 20 0 JDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC1=O ZINC001465471915 1067803310 /nfs/dbraw/zinc/80/33/10/1067803310.db2.gz DCEHZVULBFIWKE-RBBKRZOGSA-N 2 1 457.619 1.584 20 0 JDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001465615955 1067815006 /nfs/dbraw/zinc/81/50/06/1067815006.db2.gz GSPFJUPCDUSJSR-UHFFFAOYSA-N 2 1 452.640 1.737 20 0 JDADMP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1=O ZINC001466006746 1067850419 /nfs/dbraw/zinc/85/04/19/1067850419.db2.gz VTUWBPHNNUSTSR-QGZVFWFLSA-N 2 1 451.409 1.940 20 0 JDADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc21 ZINC001466130951 1067862877 /nfs/dbraw/zinc/86/28/77/1067862877.db2.gz CMWRPLYCFZWSOZ-NHCUHLMSSA-N 2 1 451.571 1.916 20 0 JDADMP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC001466171631 1067866996 /nfs/dbraw/zinc/86/69/96/1067866996.db2.gz WVCZIIRSYGIDEB-GOTSBHOMSA-N 2 1 458.603 1.662 20 0 JDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)cc2)CC1 ZINC001467602502 1068035670 /nfs/dbraw/zinc/03/56/70/1068035670.db2.gz BAQAQYUZSBNQNM-UHFFFAOYSA-N 2 1 456.679 1.993 20 0 JDADMP CC[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001469249528 1068475691 /nfs/dbraw/zinc/47/56/91/1068475691.db2.gz QFWVXJNDGKOWMD-XZOQPEGZSA-N 2 1 457.619 1.616 20 0 JDADMP CC[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001469249528 1068475715 /nfs/dbraw/zinc/47/57/15/1068475715.db2.gz QFWVXJNDGKOWMD-XZOQPEGZSA-N 2 1 457.619 1.616 20 0 JDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001469579648 1068552059 /nfs/dbraw/zinc/55/20/59/1068552059.db2.gz NIHICLFGSKJHDI-HSZRJFAPSA-N 2 1 457.619 1.652 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001470027054 1068670588 /nfs/dbraw/zinc/67/05/88/1068670588.db2.gz YOPZQYRNVKUDQL-LHSJRXKWSA-N 2 1 455.962 1.634 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001470027054 1068670613 /nfs/dbraw/zinc/67/06/13/1068670613.db2.gz YOPZQYRNVKUDQL-LHSJRXKWSA-N 2 1 455.962 1.634 20 0 JDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(C[NH+]4CCC(C(N)=O)CC4)cc3)CC2)C1 ZINC001470519203 1068775276 /nfs/dbraw/zinc/77/52/76/1068775276.db2.gz ZRBUXILINRSCMX-HSZRJFAPSA-N 2 1 456.635 1.305 20 0 JDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936753 1068824815 /nfs/dbraw/zinc/82/48/15/1068824815.db2.gz ULSGMUGYQFZFCQ-AOYPEHQESA-N 2 1 451.615 1.739 20 0 JDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936753 1068824820 /nfs/dbraw/zinc/82/48/20/1068824820.db2.gz ULSGMUGYQFZFCQ-AOYPEHQESA-N 2 1 451.615 1.739 20 0 JDADMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001470936753 1068824822 /nfs/dbraw/zinc/82/48/22/1068824822.db2.gz ULSGMUGYQFZFCQ-AOYPEHQESA-N 2 1 451.615 1.739 20 0 JDADMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001470936753 1068824828 /nfs/dbraw/zinc/82/48/28/1068824828.db2.gz ULSGMUGYQFZFCQ-AOYPEHQESA-N 2 1 451.615 1.739 20 0 JDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001471183142 1068841209 /nfs/dbraw/zinc/84/12/09/1068841209.db2.gz XLEUXXUWCGSWGF-UKILVPOCSA-N 2 1 459.635 1.061 20 0 JDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001471183142 1068841214 /nfs/dbraw/zinc/84/12/14/1068841214.db2.gz XLEUXXUWCGSWGF-UKILVPOCSA-N 2 1 459.635 1.061 20 0 JDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001471183142 1068841216 /nfs/dbraw/zinc/84/12/16/1068841216.db2.gz XLEUXXUWCGSWGF-UKILVPOCSA-N 2 1 459.635 1.061 20 0 JDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001471183141 1068841258 /nfs/dbraw/zinc/84/12/58/1068841258.db2.gz XLEUXXUWCGSWGF-NOZRDPDXSA-N 2 1 459.635 1.061 20 0 JDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001471183141 1068841260 /nfs/dbraw/zinc/84/12/60/1068841260.db2.gz XLEUXXUWCGSWGF-NOZRDPDXSA-N 2 1 459.635 1.061 20 0 JDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001471183141 1068841262 /nfs/dbraw/zinc/84/12/62/1068841262.db2.gz XLEUXXUWCGSWGF-NOZRDPDXSA-N 2 1 459.635 1.061 20 0 JDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001471183143 1068841334 /nfs/dbraw/zinc/84/13/34/1068841334.db2.gz XLEUXXUWCGSWGF-ZCYQVOJMSA-N 2 1 459.635 1.061 20 0 JDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001471183143 1068841337 /nfs/dbraw/zinc/84/13/37/1068841337.db2.gz XLEUXXUWCGSWGF-ZCYQVOJMSA-N 2 1 459.635 1.061 20 0 JDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001471183143 1068841340 /nfs/dbraw/zinc/84/13/40/1068841340.db2.gz XLEUXXUWCGSWGF-ZCYQVOJMSA-N 2 1 459.635 1.061 20 0 JDADMP CC[C@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001499462663 1069004002 /nfs/dbraw/zinc/00/40/02/1069004002.db2.gz IAILEIOZHWYJDI-UXHICEINSA-N 2 1 469.700 1.931 20 0 JDADMP CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC[N@H+]1CCOC ZINC001499639714 1069021224 /nfs/dbraw/zinc/02/12/24/1069021224.db2.gz PYENPJNVHNCLBU-VXKWHMMOSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH+]1CCOC ZINC001499639714 1069021241 /nfs/dbraw/zinc/02/12/41/1069021241.db2.gz PYENPJNVHNCLBU-VXKWHMMOSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC[NH+]1CCOC ZINC001499639714 1069021258 /nfs/dbraw/zinc/02/12/58/1069021258.db2.gz PYENPJNVHNCLBU-VXKWHMMOSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1CCOC ZINC001499639716 1069021525 /nfs/dbraw/zinc/02/15/25/1069021525.db2.gz PYENPJNVHNCLBU-YADHBBJMSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1CCOC ZINC001499639716 1069021544 /nfs/dbraw/zinc/02/15/44/1069021544.db2.gz PYENPJNVHNCLBU-YADHBBJMSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1CCOC ZINC001499639716 1069021557 /nfs/dbraw/zinc/02/15/57/1069021557.db2.gz PYENPJNVHNCLBU-YADHBBJMSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC001499642394 1069023828 /nfs/dbraw/zinc/02/38/28/1069023828.db2.gz LXOVXIYNJBWGIW-HXUWFJFHSA-N 2 1 479.670 1.199 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001499719351 1069049804 /nfs/dbraw/zinc/04/98/04/1069049804.db2.gz HRYJANMLTDHTFA-PGRDOPGGSA-N 2 1 460.652 1.719 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001499721112 1069050619 /nfs/dbraw/zinc/05/06/19/1069050619.db2.gz BOMDJSXSDMWDSF-PLACYPQZSA-N 2 1 491.681 1.664 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC001499721112 1069050623 /nfs/dbraw/zinc/05/06/23/1069050623.db2.gz BOMDJSXSDMWDSF-PLACYPQZSA-N 2 1 491.681 1.664 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC001499721112 1069050627 /nfs/dbraw/zinc/05/06/27/1069050627.db2.gz BOMDJSXSDMWDSF-PLACYPQZSA-N 2 1 491.681 1.664 20 0 JDADMP CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001499786837 1069086754 /nfs/dbraw/zinc/08/67/54/1069086754.db2.gz XLVKZOFBYMTQBI-NTKDMRAZSA-N 2 1 476.597 1.610 20 0 JDADMP CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001499786837 1069086762 /nfs/dbraw/zinc/08/67/62/1069086762.db2.gz XLVKZOFBYMTQBI-NTKDMRAZSA-N 2 1 476.597 1.610 20 0 JDADMP CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001499786837 1069086766 /nfs/dbraw/zinc/08/67/66/1069086766.db2.gz XLVKZOFBYMTQBI-NTKDMRAZSA-N 2 1 476.597 1.610 20 0 JDADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001473221432 1069098206 /nfs/dbraw/zinc/09/82/06/1069098206.db2.gz FTZMOBOJLLKIGQ-IBGZPJMESA-N 2 1 450.649 1.969 20 0 JDADMP C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001473462861 1069156851 /nfs/dbraw/zinc/15/68/51/1069156851.db2.gz OCOFPNYEYYQLHM-UHFFFAOYSA-N 2 1 459.616 1.412 20 0 JDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1ccc(S(=O)(=O)N3CCCC3)cc1)CCO2 ZINC001473579975 1069186330 /nfs/dbraw/zinc/18/63/30/1069186330.db2.gz IZRSCWXCSPIZEA-UHFFFAOYSA-N 2 1 450.605 1.596 20 0 JDADMP CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)CC[N@H+]1CCOC ZINC001500260479 1069223661 /nfs/dbraw/zinc/22/36/61/1069223661.db2.gz YLASPIADNMFDFJ-NRFANRHFSA-N 2 1 474.654 1.727 20 0 JDADMP COC(=O)C1CC2(C1)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H]2C(=O)OC(C)(C)C ZINC001473785886 1069223978 /nfs/dbraw/zinc/22/39/78/1069223978.db2.gz IIRDXSLTEIZPNB-MZXKRHHESA-N 2 1 451.608 1.818 20 0 JDADMP COC(=O)C1CC2(C1)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H]2C(=O)OC(C)(C)C ZINC001473785886 1069223987 /nfs/dbraw/zinc/22/39/87/1069223987.db2.gz IIRDXSLTEIZPNB-MZXKRHHESA-N 2 1 451.608 1.818 20 0 JDADMP CCCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001500419945 1069250902 /nfs/dbraw/zinc/25/09/02/1069250902.db2.gz MZAGWXTZUROQJT-QFIPXVFZSA-N 2 1 468.650 1.739 20 0 JDADMP CCCC[NH+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001500419945 1069250918 /nfs/dbraw/zinc/25/09/18/1069250918.db2.gz MZAGWXTZUROQJT-QFIPXVFZSA-N 2 1 468.650 1.739 20 0 JDADMP CCCC[NH+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001500419945 1069250931 /nfs/dbraw/zinc/25/09/31/1069250931.db2.gz MZAGWXTZUROQJT-QFIPXVFZSA-N 2 1 468.650 1.739 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001500703214 1069299128 /nfs/dbraw/zinc/29/91/28/1069299128.db2.gz OEEJRSJFVDNKND-VXKWHMMOSA-N 2 1 474.698 1.708 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC001500720134 1069303128 /nfs/dbraw/zinc/30/31/28/1069303128.db2.gz CQPAJCLTJGRZLS-FDFHNCONSA-N 2 1 496.722 1.849 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001500720134 1069303146 /nfs/dbraw/zinc/30/31/46/1069303146.db2.gz CQPAJCLTJGRZLS-FDFHNCONSA-N 2 1 496.722 1.849 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001500720134 1069303164 /nfs/dbraw/zinc/30/31/64/1069303164.db2.gz CQPAJCLTJGRZLS-FDFHNCONSA-N 2 1 496.722 1.849 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001500721608 1069304952 /nfs/dbraw/zinc/30/49/52/1069304952.db2.gz ZXKAUWYTJCQVQQ-SXLOBPIMSA-N 2 1 452.669 1.689 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289342 1072472790 /nfs/dbraw/zinc/47/27/90/1072472790.db2.gz GCPOPEAZGNQEQK-HBMCJLEFSA-N 2 1 463.671 1.353 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289342 1072472803 /nfs/dbraw/zinc/47/28/03/1072472803.db2.gz GCPOPEAZGNQEQK-HBMCJLEFSA-N 2 1 463.671 1.353 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc([C@H]3CCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289342 1072472811 /nfs/dbraw/zinc/47/28/11/1072472811.db2.gz GCPOPEAZGNQEQK-HBMCJLEFSA-N 2 1 463.671 1.353 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc([C@H]3CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289342 1072472821 /nfs/dbraw/zinc/47/28/21/1072472821.db2.gz GCPOPEAZGNQEQK-HBMCJLEFSA-N 2 1 463.671 1.353 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229684 1072993166 /nfs/dbraw/zinc/99/31/66/1072993166.db2.gz CEOIEEMYCWXZGW-XUZZJYLKSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229684 1072993170 /nfs/dbraw/zinc/99/31/70/1072993170.db2.gz CEOIEEMYCWXZGW-XUZZJYLKSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229684 1072993176 /nfs/dbraw/zinc/99/31/76/1072993176.db2.gz CEOIEEMYCWXZGW-XUZZJYLKSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508235145 1073005868 /nfs/dbraw/zinc/00/58/68/1073005868.db2.gz XDJDOJVNSXABSL-UNMCSNQZSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508235145 1073005877 /nfs/dbraw/zinc/00/58/77/1073005877.db2.gz XDJDOJVNSXABSL-UNMCSNQZSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508235145 1073005885 /nfs/dbraw/zinc/00/58/85/1073005885.db2.gz XDJDOJVNSXABSL-UNMCSNQZSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508235145 1073005895 /nfs/dbraw/zinc/00/58/95/1073005895.db2.gz XDJDOJVNSXABSL-UNMCSNQZSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508266295 1073032017 /nfs/dbraw/zinc/03/20/17/1073032017.db2.gz ATQAJVHJKBKQAJ-NNXSRULWSA-N 2 1 475.682 1.890 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508266295 1073032030 /nfs/dbraw/zinc/03/20/30/1073032030.db2.gz ATQAJVHJKBKQAJ-NNXSRULWSA-N 2 1 475.682 1.890 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001508267403 1073034267 /nfs/dbraw/zinc/03/42/67/1073034267.db2.gz DHIGTQNOXQQZSI-KSEOMHKRSA-N 2 1 490.697 1.381 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508274680 1073044537 /nfs/dbraw/zinc/04/45/37/1073044537.db2.gz QZBZDEBCNXXLRF-TZIWHRDSSA-N 2 1 476.670 1.135 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508274680 1073044550 /nfs/dbraw/zinc/04/45/50/1073044550.db2.gz QZBZDEBCNXXLRF-TZIWHRDSSA-N 2 1 476.670 1.135 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CC(C)(C)C[NH+](C)C)C[C@@H]2C)CC1 ZINC001508278000 1073052379 /nfs/dbraw/zinc/05/23/79/1073052379.db2.gz ZVEDOQKCGVDGDF-SESVDKBCSA-N 2 1 461.655 1.359 20 0 JDADMP CC(C)(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001508618266 1073287086 /nfs/dbraw/zinc/28/70/86/1073287086.db2.gz CVWMWCMDLQVHQQ-UHFFFAOYSA-N 2 1 461.655 1.558 20 0 JDADMP CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001509116560 1073506280 /nfs/dbraw/zinc/50/62/80/1073506280.db2.gz CRONZMXKRZOGOE-PWRODBHTSA-N 2 1 461.655 1.849 20 0 JDADMP CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001509146930 1073512972 /nfs/dbraw/zinc/51/29/72/1073512972.db2.gz LWVREAQQYBWVOS-RUZDIDTESA-N 2 1 455.651 1.802 20 0 JDADMP CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCSCC1 ZINC001509200377 1073523652 /nfs/dbraw/zinc/52/36/52/1073523652.db2.gz IYQSEASXRRNAJZ-UHFFFAOYSA-N 2 1 463.696 1.660 20 0 JDADMP CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCSCC1 ZINC001509200377 1073523673 /nfs/dbraw/zinc/52/36/73/1073523673.db2.gz IYQSEASXRRNAJZ-UHFFFAOYSA-N 2 1 463.696 1.660 20 0 JDADMP CC(C)Cc1nnc(N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001509254350 1073547326 /nfs/dbraw/zinc/54/73/26/1073547326.db2.gz KFWYCLVTNJCHFQ-SANMLTNESA-N 2 1 469.678 1.797 20 0 JDADMP CC(C)Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001509254350 1073547342 /nfs/dbraw/zinc/54/73/42/1073547342.db2.gz KFWYCLVTNJCHFQ-SANMLTNESA-N 2 1 469.678 1.797 20 0 JDADMP CC(C)Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001509254350 1073547363 /nfs/dbraw/zinc/54/73/63/1073547363.db2.gz KFWYCLVTNJCHFQ-SANMLTNESA-N 2 1 469.678 1.797 20 0 JDADMP CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001509410114 1073589306 /nfs/dbraw/zinc/58/93/06/1073589306.db2.gz ZUBMGXLQWPOFFF-FCHUYYIVSA-N 2 1 475.682 1.943 20 0 JDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001509431953 1073609773 /nfs/dbraw/zinc/60/97/73/1073609773.db2.gz GBWJNSNIKGOBPP-WOJBJXKFSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001509431953 1073609779 /nfs/dbraw/zinc/60/97/79/1073609779.db2.gz GBWJNSNIKGOBPP-WOJBJXKFSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001509431953 1073609788 /nfs/dbraw/zinc/60/97/88/1073609788.db2.gz GBWJNSNIKGOBPP-WOJBJXKFSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001509431948 1073609872 /nfs/dbraw/zinc/60/98/72/1073609872.db2.gz GBWJNSNIKGOBPP-UXHICEINSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001509431948 1073609878 /nfs/dbraw/zinc/60/98/78/1073609878.db2.gz GBWJNSNIKGOBPP-UXHICEINSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001509431948 1073609882 /nfs/dbraw/zinc/60/98/82/1073609882.db2.gz GBWJNSNIKGOBPP-UXHICEINSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001509436628 1073618060 /nfs/dbraw/zinc/61/80/60/1073618060.db2.gz SKNHOQUEICOFRP-LEWJYISDSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001509436628 1073618067 /nfs/dbraw/zinc/61/80/67/1073618067.db2.gz SKNHOQUEICOFRP-LEWJYISDSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001509436628 1073618087 /nfs/dbraw/zinc/61/80/87/1073618087.db2.gz SKNHOQUEICOFRP-LEWJYISDSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)[N@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001509503810 1073654136 /nfs/dbraw/zinc/65/41/36/1073654136.db2.gz MQYFUDAPCJLJIP-HXUWFJFHSA-N 2 1 470.622 1.957 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001509503810 1073654144 /nfs/dbraw/zinc/65/41/44/1073654144.db2.gz MQYFUDAPCJLJIP-HXUWFJFHSA-N 2 1 470.622 1.957 20 0 JDADMP CC(C)[N@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001509503808 1073654327 /nfs/dbraw/zinc/65/43/27/1073654327.db2.gz MQYFUDAPCJLJIP-FQEVSTJZSA-N 2 1 470.622 1.957 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001509503808 1073654337 /nfs/dbraw/zinc/65/43/37/1073654337.db2.gz MQYFUDAPCJLJIP-FQEVSTJZSA-N 2 1 470.622 1.957 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001509517331 1073660092 /nfs/dbraw/zinc/66/00/92/1073660092.db2.gz CIJMDVCESXKCFV-RTWAWAEBSA-N 2 1 482.695 1.459 20 0 JDADMP CC(C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001509519118 1073662995 /nfs/dbraw/zinc/66/29/95/1073662995.db2.gz RLAWHZAXXAABGF-UHFFFAOYSA-N 2 1 474.698 1.849 20 0 JDADMP CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001509526800 1073667569 /nfs/dbraw/zinc/66/75/69/1073667569.db2.gz YKKAVWSCSSYSDD-UHFFFAOYSA-N 2 1 457.627 1.187 20 0 JDADMP CC(C)[NH+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001509526800 1073667572 /nfs/dbraw/zinc/66/75/72/1073667572.db2.gz YKKAVWSCSSYSDD-UHFFFAOYSA-N 2 1 457.627 1.187 20 0 JDADMP CC(C)[NH+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001509526800 1073667581 /nfs/dbraw/zinc/66/75/81/1073667581.db2.gz YKKAVWSCSSYSDD-UHFFFAOYSA-N 2 1 457.627 1.187 20 0 JDADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001509527538 1073668409 /nfs/dbraw/zinc/66/84/09/1073668409.db2.gz LIPALWWQOCDKQN-YPAWHYETSA-N 2 1 495.738 1.515 20 0 JDADMP CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001509528196 1073669664 /nfs/dbraw/zinc/66/96/64/1073669664.db2.gz QPLXWCYNXVGDIP-OAQYLSRUSA-N 2 1 454.623 1.347 20 0 JDADMP CC(C)[NH+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001509528196 1073669668 /nfs/dbraw/zinc/66/96/68/1073669668.db2.gz QPLXWCYNXVGDIP-OAQYLSRUSA-N 2 1 454.623 1.347 20 0 JDADMP CC(C)[NH+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001509528196 1073669675 /nfs/dbraw/zinc/66/96/75/1073669675.db2.gz QPLXWCYNXVGDIP-OAQYLSRUSA-N 2 1 454.623 1.347 20 0 JDADMP CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(C)C ZINC001509540840 1073672006 /nfs/dbraw/zinc/67/20/06/1073672006.db2.gz LFGQJJQXWORPSS-IBGZPJMESA-N 2 1 456.595 1.565 20 0 JDADMP CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(C)C ZINC001509540840 1073672020 /nfs/dbraw/zinc/67/20/20/1073672020.db2.gz LFGQJJQXWORPSS-IBGZPJMESA-N 2 1 456.595 1.565 20 0 JDADMP CC(C)[NH+]1CCC(O)(Cn2c(-c3cnn(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC001509552882 1073676987 /nfs/dbraw/zinc/67/69/87/1073676987.db2.gz FBBBFRIOZUOBBP-UHFFFAOYSA-N 2 1 488.681 1.709 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509566468 1073687698 /nfs/dbraw/zinc/68/76/98/1073687698.db2.gz VMARBWWODYFEAH-OAQYLSRUSA-N 2 1 488.681 1.377 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509566468 1073687729 /nfs/dbraw/zinc/68/77/29/1073687729.db2.gz VMARBWWODYFEAH-OAQYLSRUSA-N 2 1 488.681 1.377 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509566468 1073687768 /nfs/dbraw/zinc/68/77/68/1073687768.db2.gz VMARBWWODYFEAH-OAQYLSRUSA-N 2 1 488.681 1.377 20 0 JDADMP CC(C)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509569872 1073689592 /nfs/dbraw/zinc/68/95/92/1073689592.db2.gz QDUZETOSGWBIHD-FQEVSTJZSA-N 2 1 457.627 1.152 20 0 JDADMP CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001509571758 1073690882 /nfs/dbraw/zinc/69/08/82/1073690882.db2.gz FMNQSSAAQWDJKD-OAQYLSRUSA-N 2 1 490.674 1.726 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001509612911 1073736307 /nfs/dbraw/zinc/73/63/07/1073736307.db2.gz DTIWGJLUXWPNNE-FPOVZHCZSA-N 2 1 461.655 1.838 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001509612911 1073736320 /nfs/dbraw/zinc/73/63/20/1073736320.db2.gz DTIWGJLUXWPNNE-FPOVZHCZSA-N 2 1 461.655 1.838 20 0 JDADMP Cc1nc2c(n1-c1nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n1)CC[NH2+]CC2 ZINC001164429935 718948882 /nfs/dbraw/zinc/94/88/82/718948882.db2.gz QWJRYFFXKXNHBS-UHFFFAOYSA-N 2 1 482.658 1.458 20 0 JDADMP Cc1nc2c(n1-c1nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n1)CC[NH2+]CC2 ZINC001164429935 718948891 /nfs/dbraw/zinc/94/88/91/718948891.db2.gz QWJRYFFXKXNHBS-UHFFFAOYSA-N 2 1 482.658 1.458 20 0 JDADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164714556 720137035 /nfs/dbraw/zinc/13/70/35/720137035.db2.gz XEJLHORAOPQAEL-OAQYLSRUSA-N 2 1 479.629 1.819 20 0 JDADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164714556 720137041 /nfs/dbraw/zinc/13/70/41/720137041.db2.gz XEJLHORAOPQAEL-OAQYLSRUSA-N 2 1 479.629 1.819 20 0 JDADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164713393 720173624 /nfs/dbraw/zinc/17/36/24/720173624.db2.gz JSXVFNTVLPFRKB-QGZVFWFLSA-N 2 1 454.535 1.479 20 0 JDADMP CCc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(N2CCOCC2)[nH+]1 ZINC001164716667 720189609 /nfs/dbraw/zinc/18/96/09/720189609.db2.gz RFMZGOCTTWBTJR-HXUWFJFHSA-N 2 1 456.595 1.220 20 0 JDADMP Cn1nnc2c1CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714586 720203792 /nfs/dbraw/zinc/20/37/92/720203792.db2.gz GWNDHSIHGABPEH-QFIPXVFZSA-N 2 1 455.607 1.899 20 0 JDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164748786 720854850 /nfs/dbraw/zinc/85/48/50/720854850.db2.gz MCUNRAOAVIYFOH-FSSWDIPSSA-N 2 1 452.607 1.826 20 0 JDADMP C[N@@H+](Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793528 721475648 /nfs/dbraw/zinc/47/56/48/721475648.db2.gz WXZLBNXNIYVUHE-UXHICEINSA-N 2 1 454.600 1.156 20 0 JDADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164791171 721489679 /nfs/dbraw/zinc/48/96/79/721489679.db2.gz BTJMHYVAAILCIE-UHFFFAOYSA-N 2 1 470.643 1.844 20 0 JDADMP c1cc(C[N@@H+]2CCOCC3(CCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC3)C2)ccn1 ZINC001164959992 722058744 /nfs/dbraw/zinc/05/87/44/722058744.db2.gz BQKJDFSJOAFIAQ-UHFFFAOYSA-N 2 1 465.602 1.430 20 0 JDADMP c1cc(C[N@H+]2CCOCC3(CCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC3)C2)ccn1 ZINC001164959992 722058747 /nfs/dbraw/zinc/05/87/47/722058747.db2.gz BQKJDFSJOAFIAQ-UHFFFAOYSA-N 2 1 465.602 1.430 20 0 JDADMP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@H]3C2)c1 ZINC001164985426 722137277 /nfs/dbraw/zinc/13/72/77/722137277.db2.gz ZKLBPSJODFIUCV-UGKGYDQZSA-N 2 1 451.575 1.039 20 0 JDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@H]3C2)c1 ZINC001164985426 722137278 /nfs/dbraw/zinc/13/72/78/722137278.db2.gz ZKLBPSJODFIUCV-UGKGYDQZSA-N 2 1 451.575 1.039 20 0 JDADMP COC(=O)C1CCN(c2cc[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)CC1 ZINC001165002258 722255302 /nfs/dbraw/zinc/25/53/02/722255302.db2.gz MJLYLDKHJUPRCK-UHFFFAOYSA-N 2 1 457.579 1.551 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001500783795 1069311064 /nfs/dbraw/zinc/31/10/64/1069311064.db2.gz AOVWTNWSCIHEJT-HXUWFJFHSA-N 2 1 457.627 1.153 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001500783795 1069311086 /nfs/dbraw/zinc/31/10/86/1069311086.db2.gz AOVWTNWSCIHEJT-HXUWFJFHSA-N 2 1 457.627 1.153 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001500783795 1069311104 /nfs/dbraw/zinc/31/11/04/1069311104.db2.gz AOVWTNWSCIHEJT-HXUWFJFHSA-N 2 1 457.627 1.153 20 0 JDADMP CCC[N@@H+](CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001500789670 1069312844 /nfs/dbraw/zinc/31/28/44/1069312844.db2.gz FZYDZLIAVOVMET-HXUWFJFHSA-N 2 1 499.726 1.654 20 0 JDADMP CCC[NH+](CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001500789670 1069312854 /nfs/dbraw/zinc/31/28/54/1069312854.db2.gz FZYDZLIAVOVMET-HXUWFJFHSA-N 2 1 499.726 1.654 20 0 JDADMP CCC[NH+](CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001500789670 1069312882 /nfs/dbraw/zinc/31/28/82/1069312882.db2.gz FZYDZLIAVOVMET-HXUWFJFHSA-N 2 1 499.726 1.654 20 0 JDADMP CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001500918625 1069327937 /nfs/dbraw/zinc/32/79/37/1069327937.db2.gz UZEIUUHILCJEHR-NRFANRHFSA-N 2 1 461.655 1.697 20 0 JDADMP CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001500921333 1069330391 /nfs/dbraw/zinc/33/03/91/1069330391.db2.gz IGJIAPMPTBNSSL-IBGZPJMESA-N 2 1 469.700 1.931 20 0 JDADMP CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001500921807 1069330773 /nfs/dbraw/zinc/33/07/73/1069330773.db2.gz LOERKPHFPSPMBK-RBUKOAKNSA-N 2 1 455.673 1.398 20 0 JDADMP CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001500922885 1069331260 /nfs/dbraw/zinc/33/12/60/1069331260.db2.gz SAOMCBAGLPPDEQ-MSOLQXFVSA-N 2 1 455.673 1.587 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001500965486 1069342453 /nfs/dbraw/zinc/34/24/53/1069342453.db2.gz CTNYOTHDZMLUFR-RPWUZVMVSA-N 2 1 464.655 1.696 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001501040433 1069368138 /nfs/dbraw/zinc/36/81/38/1069368138.db2.gz ITVUCUMWOZTDMU-MSOLQXFVSA-N 2 1 455.673 1.683 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001501770407 1069628484 /nfs/dbraw/zinc/62/84/84/1069628484.db2.gz UMAOUYRMULADKW-SANMLTNESA-N 2 1 483.661 1.701 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001501770407 1069628490 /nfs/dbraw/zinc/62/84/90/1069628490.db2.gz UMAOUYRMULADKW-SANMLTNESA-N 2 1 483.661 1.701 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001501770407 1069628513 /nfs/dbraw/zinc/62/85/13/1069628513.db2.gz UMAOUYRMULADKW-SANMLTNESA-N 2 1 483.661 1.701 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501770407 1069628544 /nfs/dbraw/zinc/62/85/44/1069628544.db2.gz UMAOUYRMULADKW-SANMLTNESA-N 2 1 483.661 1.701 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001501774571 1069637660 /nfs/dbraw/zinc/63/76/60/1069637660.db2.gz JYSBIISIHONTEM-HYBUGGRVSA-N 2 1 493.722 1.600 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001501774571 1069637688 /nfs/dbraw/zinc/63/76/88/1069637688.db2.gz JYSBIISIHONTEM-HYBUGGRVSA-N 2 1 493.722 1.600 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001501774570 1069638241 /nfs/dbraw/zinc/63/82/41/1069638241.db2.gz JYSBIISIHONTEM-GBXCKJPGSA-N 2 1 493.722 1.600 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001501774570 1069638291 /nfs/dbraw/zinc/63/82/91/1069638291.db2.gz JYSBIISIHONTEM-GBXCKJPGSA-N 2 1 493.722 1.600 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001501775183 1069642944 /nfs/dbraw/zinc/64/29/44/1069642944.db2.gz PVNACEIWJULJNA-UHFFFAOYSA-N 2 1 469.638 1.600 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001501775183 1069642978 /nfs/dbraw/zinc/64/29/78/1069642978.db2.gz PVNACEIWJULJNA-UHFFFAOYSA-N 2 1 469.638 1.600 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001501903980 1069778593 /nfs/dbraw/zinc/77/85/93/1069778593.db2.gz PSGNRAPPAWTCIH-FQEVSTJZSA-N 2 1 454.623 1.815 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001501906496 1069784993 /nfs/dbraw/zinc/78/49/93/1069784993.db2.gz GWHDFGAKUMVVQS-FQEVSTJZSA-N 2 1 456.639 1.926 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001501910696 1069800745 /nfs/dbraw/zinc/80/07/45/1069800745.db2.gz XWDCBCPFKPBOQA-LEWJYISDSA-N 2 1 477.654 1.088 20 0 JDADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001501934979 1069803891 /nfs/dbraw/zinc/80/38/91/1069803891.db2.gz PBIMLOIABUVBTF-FKBYEOEOSA-N 2 1 496.722 1.849 20 0 JDADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001501934978 1069803951 /nfs/dbraw/zinc/80/39/51/1069803951.db2.gz PBIMLOIABUVBTF-FDFHNCONSA-N 2 1 496.722 1.849 20 0 JDADMP CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001501951574 1069805915 /nfs/dbraw/zinc/80/59/15/1069805915.db2.gz BGXAOSOPNZRGHR-REWPJTCUSA-N 2 1 483.665 1.846 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001501982780 1069812163 /nfs/dbraw/zinc/81/21/63/1069812163.db2.gz QWRGJCYIBDXJGN-CZAYHTPWSA-N 2 1 461.655 1.501 20 0 JDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC001477317500 1069812246 /nfs/dbraw/zinc/81/22/46/1069812246.db2.gz UROSRANYFUDUKT-QHCPKHFHSA-N 2 1 458.651 1.607 20 0 JDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001477317500 1069812249 /nfs/dbraw/zinc/81/22/49/1069812249.db2.gz UROSRANYFUDUKT-QHCPKHFHSA-N 2 1 458.651 1.607 20 0 JDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001477317500 1069812253 /nfs/dbraw/zinc/81/22/53/1069812253.db2.gz UROSRANYFUDUKT-QHCPKHFHSA-N 2 1 458.651 1.607 20 0 JDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC001477408884 1069820392 /nfs/dbraw/zinc/82/03/92/1069820392.db2.gz KXVXSSVEBIJRQA-RTBURBONSA-N 2 1 453.672 2.000 20 0 JDADMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cn2)CC1 ZINC001477413094 1069821065 /nfs/dbraw/zinc/82/10/65/1069821065.db2.gz JGQBCXLDMJLDRU-GOTSBHOMSA-N 2 1 452.603 1.516 20 0 JDADMP CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001502196681 1069852430 /nfs/dbraw/zinc/85/24/30/1069852430.db2.gz ZEPDICJJMXPIBY-QZTJIDSGSA-N 2 1 487.571 1.662 20 0 JDADMP CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001502196681 1069852439 /nfs/dbraw/zinc/85/24/39/1069852439.db2.gz ZEPDICJJMXPIBY-QZTJIDSGSA-N 2 1 487.571 1.662 20 0 JDADMP CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001502197820 1069852779 /nfs/dbraw/zinc/85/27/79/1069852779.db2.gz DYDPGMOWCZUTPB-CEMLEFRQSA-N 2 1 461.655 1.501 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001502197820 1069852781 /nfs/dbraw/zinc/85/27/81/1069852781.db2.gz DYDPGMOWCZUTPB-CEMLEFRQSA-N 2 1 461.655 1.501 20 0 JDADMP CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)C(C)C ZINC001502197823 1069852844 /nfs/dbraw/zinc/85/28/44/1069852844.db2.gz DYDPGMOWCZUTPB-NNWRFLSQSA-N 2 1 461.655 1.501 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)C(C)C ZINC001502197823 1069852848 /nfs/dbraw/zinc/85/28/48/1069852848.db2.gz DYDPGMOWCZUTPB-NNWRFLSQSA-N 2 1 461.655 1.501 20 0 JDADMP CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001502197821 1069852909 /nfs/dbraw/zinc/85/29/09/1069852909.db2.gz DYDPGMOWCZUTPB-FCEUIQTBSA-N 2 1 461.655 1.501 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001502197821 1069852911 /nfs/dbraw/zinc/85/29/11/1069852911.db2.gz DYDPGMOWCZUTPB-FCEUIQTBSA-N 2 1 461.655 1.501 20 0 JDADMP CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001502196682 1069852925 /nfs/dbraw/zinc/85/29/25/1069852925.db2.gz ZEPDICJJMXPIBY-ROUUACIJSA-N 2 1 487.571 1.662 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001502196682 1069852926 /nfs/dbraw/zinc/85/29/26/1069852926.db2.gz ZEPDICJJMXPIBY-ROUUACIJSA-N 2 1 487.571 1.662 20 0 JDADMP CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001502203339 1069857027 /nfs/dbraw/zinc/85/70/27/1069857027.db2.gz IENNHONEOKQPMP-JOCHJYFZSA-N 2 1 474.698 1.736 20 0 JDADMP CCN1CCC([N@@H+]2CCCN(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)CC1 ZINC001477773972 1069856065 /nfs/dbraw/zinc/85/60/65/1069856065.db2.gz NEWZMVFGDNMNFB-UHFFFAOYSA-N 2 1 458.651 1.680 20 0 JDADMP CCN1CCC([N@H+]2CCCN(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)CC1 ZINC001477773972 1069856071 /nfs/dbraw/zinc/85/60/71/1069856071.db2.gz NEWZMVFGDNMNFB-UHFFFAOYSA-N 2 1 458.651 1.680 20 0 JDADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001502245003 1069920473 /nfs/dbraw/zinc/92/04/73/1069920473.db2.gz NRWJXLXRXFLPQT-RBUKOAKNSA-N 2 1 470.622 1.955 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001502245433 1069923197 /nfs/dbraw/zinc/92/31/97/1069923197.db2.gz SOUXLVRXLPFYQS-XWSJACJDSA-N 2 1 455.673 1.539 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001502258149 1069958243 /nfs/dbraw/zinc/95/82/43/1069958243.db2.gz UURMBLGEHNCWHW-LXZJYRNTSA-N 2 1 483.683 1.013 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001502258149 1069958268 /nfs/dbraw/zinc/95/82/68/1069958268.db2.gz UURMBLGEHNCWHW-LXZJYRNTSA-N 2 1 483.683 1.013 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001502258149 1069958299 /nfs/dbraw/zinc/95/82/99/1069958299.db2.gz UURMBLGEHNCWHW-LXZJYRNTSA-N 2 1 483.683 1.013 20 0 JDADMP CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001502270557 1069987513 /nfs/dbraw/zinc/98/75/13/1069987513.db2.gz OMLOSTKMOZFERI-IFMALSPDSA-N 2 1 469.634 1.614 20 0 JDADMP CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001502270557 1069987540 /nfs/dbraw/zinc/98/75/40/1069987540.db2.gz OMLOSTKMOZFERI-IFMALSPDSA-N 2 1 469.634 1.614 20 0 JDADMP CC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)C1 ZINC001502271951 1069994850 /nfs/dbraw/zinc/99/48/50/1069994850.db2.gz OKZSSYLWVSHHHI-DWQJTFDBSA-N 2 1 491.681 1.333 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)C1 ZINC001502271951 1069994871 /nfs/dbraw/zinc/99/48/71/1069994871.db2.gz OKZSSYLWVSHHHI-DWQJTFDBSA-N 2 1 491.681 1.333 20 0 JDADMP CC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001502279148 1070008029 /nfs/dbraw/zinc/00/80/29/1070008029.db2.gz REVITTNIUAZCHN-FQEVSTJZSA-N 2 1 461.655 1.537 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001502279148 1070008044 /nfs/dbraw/zinc/00/80/44/1070008044.db2.gz REVITTNIUAZCHN-FQEVSTJZSA-N 2 1 461.655 1.537 20 0 JDADMP CC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001502279149 1070008507 /nfs/dbraw/zinc/00/85/07/1070008507.db2.gz REVITTNIUAZCHN-HXUWFJFHSA-N 2 1 461.655 1.537 20 0 JDADMP CC[N@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001502279149 1070008517 /nfs/dbraw/zinc/00/85/17/1070008517.db2.gz REVITTNIUAZCHN-HXUWFJFHSA-N 2 1 461.655 1.537 20 0 JDADMP CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]([NH+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502282055 1070016631 /nfs/dbraw/zinc/01/66/31/1070016631.db2.gz RDLOMBBIYCTKCU-NNWRFLSQSA-N 2 1 488.681 1.280 20 0 JDADMP CC[NH+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502282055 1070016640 /nfs/dbraw/zinc/01/66/40/1070016640.db2.gz RDLOMBBIYCTKCU-NNWRFLSQSA-N 2 1 488.681 1.280 20 0 JDADMP CC[NH+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502282055 1070016653 /nfs/dbraw/zinc/01/66/53/1070016653.db2.gz RDLOMBBIYCTKCU-NNWRFLSQSA-N 2 1 488.681 1.280 20 0 JDADMP CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001502281660 1070014441 /nfs/dbraw/zinc/01/44/41/1070014441.db2.gz LCYCMRUWDUTYNP-RBBKRZOGSA-N 2 1 489.690 1.737 20 0 JDADMP CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001502281659 1070015101 /nfs/dbraw/zinc/01/51/01/1070015101.db2.gz LCYCMRUWDUTYNP-IRLDBZIGSA-N 2 1 489.690 1.737 20 0 JDADMP C[C@@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001478640486 1070034781 /nfs/dbraw/zinc/03/47/81/1070034781.db2.gz BJXGJCNQVBTNDG-GGAORHGYSA-N 2 1 458.651 1.291 20 0 JDADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001479046031 1070083021 /nfs/dbraw/zinc/08/30/21/1070083021.db2.gz UHQAOZYAUGWOCV-NHCUHLMSSA-N 2 1 463.667 1.755 20 0 JDADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC001502312908 1070085855 /nfs/dbraw/zinc/08/58/55/1070085855.db2.gz UYBHKLVPIZJXSY-NHCUHLMSSA-N 2 1 455.655 1.929 20 0 JDADMP CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001502316603 1070115129 /nfs/dbraw/zinc/11/51/29/1070115129.db2.gz MVSLXIMMCWASNH-FGZHOGPDSA-N 2 1 463.671 1.703 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC001502317819 1070123907 /nfs/dbraw/zinc/12/39/07/1070123907.db2.gz OREJXXMBZFGTTA-UFYCRDLUSA-N 2 1 489.690 1.866 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001502317819 1070123919 /nfs/dbraw/zinc/12/39/19/1070123919.db2.gz OREJXXMBZFGTTA-UFYCRDLUSA-N 2 1 489.690 1.866 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001502317819 1070123936 /nfs/dbraw/zinc/12/39/36/1070123936.db2.gz OREJXXMBZFGTTA-UFYCRDLUSA-N 2 1 489.690 1.866 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)C[C@@H]1C ZINC001502318191 1070126261 /nfs/dbraw/zinc/12/62/61/1070126261.db2.gz WFWGQJIGXUSBOD-RBUKOAKNSA-N 2 1 483.683 1.064 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001502318199 1070126371 /nfs/dbraw/zinc/12/63/71/1070126371.db2.gz WGNIKYQSZLGBBL-VQTJNVASSA-N 2 1 470.622 1.813 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001502318199 1070126380 /nfs/dbraw/zinc/12/63/80/1070126380.db2.gz WGNIKYQSZLGBBL-VQTJNVASSA-N 2 1 470.622 1.813 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001502318199 1070126395 /nfs/dbraw/zinc/12/63/95/1070126395.db2.gz WGNIKYQSZLGBBL-VQTJNVASSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001502320689 1070137959 /nfs/dbraw/zinc/13/79/59/1070137959.db2.gz MVVGDSZPPYKIDA-ROUUACIJSA-N 2 1 463.652 1.676 20 0 JDADMP CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001502320688 1070138423 /nfs/dbraw/zinc/13/84/23/1070138423.db2.gz MVVGDSZPPYKIDA-QZTJIDSGSA-N 2 1 463.652 1.676 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502326522 1070145821 /nfs/dbraw/zinc/14/58/21/1070145821.db2.gz YATYUNDDOVLYDU-WZOHSFFVSA-N 2 1 491.681 1.990 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001502326522 1070145839 /nfs/dbraw/zinc/14/58/39/1070145839.db2.gz YATYUNDDOVLYDU-WZOHSFFVSA-N 2 1 491.681 1.990 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001502326522 1070145857 /nfs/dbraw/zinc/14/58/57/1070145857.db2.gz YATYUNDDOVLYDU-WZOHSFFVSA-N 2 1 491.681 1.990 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001502327332 1070152222 /nfs/dbraw/zinc/15/22/22/1070152222.db2.gz MDTHDMPZBQYTPI-CGXNFDGLSA-N 2 1 497.710 1.262 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001502327332 1070152255 /nfs/dbraw/zinc/15/22/55/1070152255.db2.gz MDTHDMPZBQYTPI-CGXNFDGLSA-N 2 1 497.710 1.262 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001502327332 1070152276 /nfs/dbraw/zinc/15/22/76/1070152276.db2.gz MDTHDMPZBQYTPI-CGXNFDGLSA-N 2 1 497.710 1.262 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502327953 1070157345 /nfs/dbraw/zinc/15/73/45/1070157345.db2.gz WYHLGZMNOOBEEN-LEWJYISDSA-N 2 1 497.710 1.263 20 0 JDADMP CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001502329618 1070161686 /nfs/dbraw/zinc/16/16/86/1070161686.db2.gz FKUYJLIAGQDOFS-OAQYLSRUSA-N 2 1 457.671 1.696 20 0 JDADMP CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC001502329618 1070161695 /nfs/dbraw/zinc/16/16/95/1070161695.db2.gz FKUYJLIAGQDOFS-OAQYLSRUSA-N 2 1 457.671 1.696 20 0 JDADMP CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC001502329618 1070161713 /nfs/dbraw/zinc/16/17/13/1070161713.db2.gz FKUYJLIAGQDOFS-OAQYLSRUSA-N 2 1 457.671 1.696 20 0 JDADMP C[NH+]1CCN(c2ccc(CCNC(=O)NC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001479604251 1070172508 /nfs/dbraw/zinc/17/25/08/1070172508.db2.gz NARDBISFFCCBHP-SANMLTNESA-N 2 1 451.615 1.917 20 0 JDADMP CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502341381 1070228052 /nfs/dbraw/zinc/22/80/52/1070228052.db2.gz VAYFSDZBQOXJRW-VXKWHMMOSA-N 2 1 472.682 1.714 20 0 JDADMP CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502343768 1070244520 /nfs/dbraw/zinc/24/45/20/1070244520.db2.gz UGLNGOVHXDGJMX-BHDDXSALSA-N 2 1 463.671 1.213 20 0 JDADMP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001502343953 1070249263 /nfs/dbraw/zinc/24/92/63/1070249263.db2.gz WZLKQUKGRZHDHY-LEWJYISDSA-N 2 1 460.671 1.281 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001493204001 1070258078 /nfs/dbraw/zinc/25/80/78/1070258078.db2.gz NPAMDDBRPRMPBW-AQNXPRMDSA-N 2 1 461.655 1.694 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001493204001 1070258106 /nfs/dbraw/zinc/25/81/06/1070258106.db2.gz NPAMDDBRPRMPBW-AQNXPRMDSA-N 2 1 461.655 1.694 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268093 1070273943 /nfs/dbraw/zinc/27/39/43/1070273943.db2.gz YGCQDEONCLZANP-JSXRDJHFSA-N 2 1 481.711 1.931 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493268093 1070273973 /nfs/dbraw/zinc/27/39/73/1070273973.db2.gz YGCQDEONCLZANP-JSXRDJHFSA-N 2 1 481.711 1.931 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493268093 1070274000 /nfs/dbraw/zinc/27/40/00/1070274000.db2.gz YGCQDEONCLZANP-JSXRDJHFSA-N 2 1 481.711 1.931 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001502352932 1070276372 /nfs/dbraw/zinc/27/63/72/1070276372.db2.gz SNKVOMFKOWUUMD-NHCUHLMSSA-N 2 1 483.665 1.872 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001502352932 1070276391 /nfs/dbraw/zinc/27/63/91/1070276391.db2.gz SNKVOMFKOWUUMD-NHCUHLMSSA-N 2 1 483.665 1.872 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001502352932 1070276409 /nfs/dbraw/zinc/27/64/09/1070276409.db2.gz SNKVOMFKOWUUMD-NHCUHLMSSA-N 2 1 483.665 1.872 20 0 JDADMP CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001502359109 1070298775 /nfs/dbraw/zinc/29/87/75/1070298775.db2.gz VYPDLKMFVXOIFW-UHFFFAOYSA-N 2 1 474.698 1.249 20 0 JDADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493693803 1070337266 /nfs/dbraw/zinc/33/72/66/1070337266.db2.gz VVUIGCNDRDAYFG-CEXWTWQISA-N 2 1 469.700 1.976 20 0 JDADMP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493693805 1070337663 /nfs/dbraw/zinc/33/76/63/1070337663.db2.gz VVUIGCNDRDAYFG-QRVBRYPASA-N 2 1 469.700 1.976 20 0 JDADMP C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001493804766 1070350782 /nfs/dbraw/zinc/35/07/82/1070350782.db2.gz IDFXYYNIKKAMBG-UXHICEINSA-N 2 1 497.710 1.263 20 0 JDADMP C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001494152240 1070448782 /nfs/dbraw/zinc/44/87/82/1070448782.db2.gz STBXNKHDFUERAB-LJQANCHMSA-N 2 1 470.622 1.814 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC001494518196 1070609109 /nfs/dbraw/zinc/60/91/09/1070609109.db2.gz HCJGQJDRRUWEEE-NRFANRHFSA-N 2 1 461.655 1.936 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001494518196 1070609113 /nfs/dbraw/zinc/60/91/13/1070609113.db2.gz HCJGQJDRRUWEEE-NRFANRHFSA-N 2 1 461.655 1.936 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001494518196 1070609118 /nfs/dbraw/zinc/60/91/18/1070609118.db2.gz HCJGQJDRRUWEEE-NRFANRHFSA-N 2 1 461.655 1.936 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494519681 1070611359 /nfs/dbraw/zinc/61/13/59/1070611359.db2.gz PRQHEYNOOOSJIR-YRPNKDGESA-N 2 1 483.683 1.062 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494519681 1070611369 /nfs/dbraw/zinc/61/13/69/1070611369.db2.gz PRQHEYNOOOSJIR-YRPNKDGESA-N 2 1 483.683 1.062 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494519681 1070611378 /nfs/dbraw/zinc/61/13/78/1070611378.db2.gz PRQHEYNOOOSJIR-YRPNKDGESA-N 2 1 483.683 1.062 20 0 JDADMP CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494520943 1070613858 /nfs/dbraw/zinc/61/38/58/1070613858.db2.gz WQLFRXGTYIGIAV-NJDAHSKKSA-N 2 1 461.655 1.644 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC001494525129 1070618288 /nfs/dbraw/zinc/61/82/88/1070618288.db2.gz RMUDTYXUTLEBEM-PCCBWWKXSA-N 2 1 472.638 1.781 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC001494525129 1070618298 /nfs/dbraw/zinc/61/82/98/1070618298.db2.gz RMUDTYXUTLEBEM-PCCBWWKXSA-N 2 1 472.638 1.781 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC001494525129 1070618308 /nfs/dbraw/zinc/61/83/08/1070618308.db2.gz RMUDTYXUTLEBEM-PCCBWWKXSA-N 2 1 472.638 1.781 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cnccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC001494525129 1070618317 /nfs/dbraw/zinc/61/83/17/1070618317.db2.gz RMUDTYXUTLEBEM-PCCBWWKXSA-N 2 1 472.638 1.781 20 0 JDADMP C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001494532880 1070625720 /nfs/dbraw/zinc/62/57/20/1070625720.db2.gz ZUARHCKXRITXSC-RTWAWAEBSA-N 2 1 496.722 1.992 20 0 JDADMP C[C@@H]1C[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCCO1 ZINC001494532880 1070625738 /nfs/dbraw/zinc/62/57/38/1070625738.db2.gz ZUARHCKXRITXSC-RTWAWAEBSA-N 2 1 496.722 1.992 20 0 JDADMP C[C@@H]1C[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCCO1 ZINC001494532880 1070625755 /nfs/dbraw/zinc/62/57/55/1070625755.db2.gz ZUARHCKXRITXSC-RTWAWAEBSA-N 2 1 496.722 1.992 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001502662775 1070739793 /nfs/dbraw/zinc/73/97/93/1070739793.db2.gz ULFUGNBOKRBQRU-MZLICYQSSA-N 2 1 464.655 1.675 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CCOC1 ZINC001502664043 1070743377 /nfs/dbraw/zinc/74/33/77/1070743377.db2.gz GNEGYLGXGUGSPL-IYXIZZNPSA-N 2 1 477.698 1.875 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[C@@H](C[NH+](CC)CC)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001502680744 1070769802 /nfs/dbraw/zinc/76/98/02/1070769802.db2.gz WQNFTURCLKGJMN-WWPVKYPJSA-N 2 1 450.628 1.165 20 0 JDADMP CCO[C@]1(c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001502708381 1070814093 /nfs/dbraw/zinc/81/40/93/1070814093.db2.gz RPPHSAUZPKYJBN-ZJSXRUAMSA-N 2 1 464.655 1.819 20 0 JDADMP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001495693381 1070815268 /nfs/dbraw/zinc/81/52/68/1070815268.db2.gz FGFQTBHSERGUEE-FQEVSTJZSA-N 2 1 463.671 1.893 20 0 JDADMP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001495693381 1070815269 /nfs/dbraw/zinc/81/52/69/1070815269.db2.gz FGFQTBHSERGUEE-FQEVSTJZSA-N 2 1 463.671 1.893 20 0 JDADMP CCO[C@@]1(c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC[N@@H+](CC)C(C)C)CCOC1 ZINC001502721256 1070828960 /nfs/dbraw/zinc/82/89/60/1070828960.db2.gz DYOVWNNQYUMIHY-DEOSSOPVSA-N 2 1 464.655 1.962 20 0 JDADMP CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001496188240 1070833261 /nfs/dbraw/zinc/83/32/61/1070833261.db2.gz LOCYDTFXYDPKNZ-NRFANRHFSA-N 2 1 485.681 1.614 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001502724838 1070834382 /nfs/dbraw/zinc/83/43/82/1070834382.db2.gz FDQVXYWRLYZCPJ-AWRGLXIESA-N 2 1 464.655 1.819 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001502724838 1070834384 /nfs/dbraw/zinc/83/43/84/1070834384.db2.gz FDQVXYWRLYZCPJ-AWRGLXIESA-N 2 1 464.655 1.819 20 0 JDADMP COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCN(C(C)=O)CC4)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001504119935 1070841962 /nfs/dbraw/zinc/84/19/62/1070841962.db2.gz LNVRAZKGTVDEIR-XLNZFTOWSA-N 2 1 499.660 1.901 20 0 JDADMP COc1ccc(-c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCOCC[NH+](C)C)cc1 ZINC001504170682 1070863441 /nfs/dbraw/zinc/86/34/41/1070863441.db2.gz PVIPCHPIVSUAKC-KNQAVFIVSA-N 2 1 458.607 1.689 20 0 JDADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC001502849171 1070867434 /nfs/dbraw/zinc/86/74/34/1070867434.db2.gz KCWPDQJNDMFJRG-RUZDIDTESA-N 2 1 485.633 1.204 20 0 JDADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC001502849171 1070867436 /nfs/dbraw/zinc/86/74/36/1070867436.db2.gz KCWPDQJNDMFJRG-RUZDIDTESA-N 2 1 485.633 1.204 20 0 JDADMP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC001504183672 1070868216 /nfs/dbraw/zinc/86/82/16/1070868216.db2.gz RHNDTFCRRYGOTP-XMMPIXPASA-N 2 1 458.607 1.996 20 0 JDADMP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001504198074 1070875507 /nfs/dbraw/zinc/87/55/07/1070875507.db2.gz LNFMAFLGBHRUTQ-DEOSSOPVSA-N 2 1 458.607 1.949 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033318 1070987711 /nfs/dbraw/zinc/98/77/11/1070987711.db2.gz MBCUIZIAAGAIJS-CTNGQTDRSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503047927 1071007671 /nfs/dbraw/zinc/00/76/71/1071007671.db2.gz QLCMHMHPLZBERN-JOCHJYFZSA-N 2 1 450.628 1.351 20 0 JDADMP CCOCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503060714 1071016091 /nfs/dbraw/zinc/01/60/91/1071016091.db2.gz HMSZMQNLZCEQDJ-UHFFFAOYSA-N 2 1 477.698 1.656 20 0 JDADMP CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503060907 1071016466 /nfs/dbraw/zinc/01/64/66/1071016466.db2.gz LAXKFJPLAWJZQQ-FCHUYYIVSA-N 2 1 463.671 1.388 20 0 JDADMP CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503060910 1071016875 /nfs/dbraw/zinc/01/68/75/1071016875.db2.gz LAXKFJPLAWJZQQ-YADHBBJMSA-N 2 1 463.671 1.388 20 0 JDADMP CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001503097105 1071040198 /nfs/dbraw/zinc/04/01/98/1071040198.db2.gz VSRUICFDQAKUJK-NRFANRHFSA-N 2 1 463.671 1.389 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001503215779 1071164572 /nfs/dbraw/zinc/16/45/72/1071164572.db2.gz JMZKYVOWGSTSEU-NRFANRHFSA-N 2 1 461.655 1.937 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001503219374 1071171841 /nfs/dbraw/zinc/17/18/41/1071171841.db2.gz CHMKQGBFFABTKK-MZLICYQSSA-N 2 1 461.655 1.898 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1CC ZINC001503222109 1071181196 /nfs/dbraw/zinc/18/11/96/1071181196.db2.gz WYBHSHYMGNTYKR-FQEVSTJZSA-N 2 1 472.638 1.783 20 0 JDADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001504455430 1071230419 /nfs/dbraw/zinc/23/04/19/1071230419.db2.gz QKOKZLZPBXCLSH-OAQYLSRUSA-N 2 1 499.660 1.950 20 0 JDADMP COc1ccccc1OCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001504455430 1071230425 /nfs/dbraw/zinc/23/04/25/1071230425.db2.gz QKOKZLZPBXCLSH-OAQYLSRUSA-N 2 1 499.660 1.950 20 0 JDADMP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC001504489018 1071263058 /nfs/dbraw/zinc/26/30/58/1071263058.db2.gz DQSHKEZVOKDCEH-CEXWTWQISA-N 2 1 497.710 1.451 20 0 JDADMP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC001504489488 1071263981 /nfs/dbraw/zinc/26/39/81/1071263981.db2.gz ICWBTYMNBMQBNV-OALUTQOASA-N 2 1 497.710 1.452 20 0 JDADMP Cn1cc(C[N@H+]2CCCN(c3nnc(C(=O)N4CCCC4)n3CC(C)(C)C[NH+](C)C)CC2)cn1 ZINC001503391522 1071651579 /nfs/dbraw/zinc/65/15/79/1071651579.db2.gz NMAXMURFTMVSDK-UHFFFAOYSA-N 2 1 471.654 1.548 20 0 JDADMP C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001503404696 1071672111 /nfs/dbraw/zinc/67/21/11/1071672111.db2.gz OCPMWKMGKHTZTD-LJQANCHMSA-N 2 1 470.684 1.317 20 0 JDADMP COCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504811803 1071683358 /nfs/dbraw/zinc/68/33/58/1071683358.db2.gz QOUNPDGLPKHBSO-IFMALSPDSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[NH+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504811803 1071683363 /nfs/dbraw/zinc/68/33/63/1071683363.db2.gz QOUNPDGLPKHBSO-IFMALSPDSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[NH+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504811803 1071683364 /nfs/dbraw/zinc/68/33/64/1071683364.db2.gz QOUNPDGLPKHBSO-IFMALSPDSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504815638 1071688706 /nfs/dbraw/zinc/68/87/06/1071688706.db2.gz CPVXUWLOKZWWFX-ILWGZMRPSA-N 2 1 477.654 1.087 20 0 JDADMP COCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504815638 1071688709 /nfs/dbraw/zinc/68/87/09/1071688709.db2.gz CPVXUWLOKZWWFX-ILWGZMRPSA-N 2 1 477.654 1.087 20 0 JDADMP COCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504815637 1071688757 /nfs/dbraw/zinc/68/87/57/1071688757.db2.gz CPVXUWLOKZWWFX-CEMLEFRQSA-N 2 1 477.654 1.087 20 0 JDADMP COCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504815637 1071688760 /nfs/dbraw/zinc/68/87/60/1071688760.db2.gz CPVXUWLOKZWWFX-CEMLEFRQSA-N 2 1 477.654 1.087 20 0 JDADMP COCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504815634 1071688793 /nfs/dbraw/zinc/68/87/93/1071688793.db2.gz CPVXUWLOKZWWFX-BAGYTPMASA-N 2 1 477.654 1.087 20 0 JDADMP COCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504815634 1071688798 /nfs/dbraw/zinc/68/87/98/1071688798.db2.gz CPVXUWLOKZWWFX-BAGYTPMASA-N 2 1 477.654 1.087 20 0 JDADMP COCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504820513 1071706471 /nfs/dbraw/zinc/70/64/71/1071706471.db2.gz OAKCWZHINUGERR-OAQYLSRUSA-N 2 1 450.628 1.789 20 0 JDADMP COCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001504821599 1071708554 /nfs/dbraw/zinc/70/85/54/1071708554.db2.gz VVRNBGLQIJOINV-NJYVYQBISA-N 2 1 450.628 1.297 20 0 JDADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001504821599 1071708562 /nfs/dbraw/zinc/70/85/62/1071708562.db2.gz VVRNBGLQIJOINV-NJYVYQBISA-N 2 1 450.628 1.297 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H]([NH+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504850527 1071748137 /nfs/dbraw/zinc/74/81/37/1071748137.db2.gz GNDYXNLNHBNLIK-REWPJTCUSA-N 2 1 499.664 1.082 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504850527 1071748156 /nfs/dbraw/zinc/74/81/56/1071748156.db2.gz GNDYXNLNHBNLIK-REWPJTCUSA-N 2 1 499.664 1.082 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504850527 1071748167 /nfs/dbraw/zinc/74/81/67/1071748167.db2.gz GNDYXNLNHBNLIK-REWPJTCUSA-N 2 1 499.664 1.082 20 0 JDADMP COCC[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001504850692 1071749357 /nfs/dbraw/zinc/74/93/57/1071749357.db2.gz KSRPMKWCFVTRRL-LJQANCHMSA-N 2 1 470.684 1.459 20 0 JDADMP COCC[NH+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001504850692 1071749380 /nfs/dbraw/zinc/74/93/80/1071749380.db2.gz KSRPMKWCFVTRRL-LJQANCHMSA-N 2 1 470.684 1.459 20 0 JDADMP COCC[NH+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001504850692 1071749394 /nfs/dbraw/zinc/74/93/94/1071749394.db2.gz KSRPMKWCFVTRRL-LJQANCHMSA-N 2 1 470.684 1.459 20 0 JDADMP COCC[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001504853053 1071756952 /nfs/dbraw/zinc/75/69/52/1071756952.db2.gz ZBOQNTGPWDSCBV-SFTDATJTSA-N 2 1 464.655 1.830 20 0 JDADMP COCC[NH+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001504853053 1071756969 /nfs/dbraw/zinc/75/69/69/1071756969.db2.gz ZBOQNTGPWDSCBV-SFTDATJTSA-N 2 1 464.655 1.830 20 0 JDADMP COCC[NH+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001504853053 1071756995 /nfs/dbraw/zinc/75/69/95/1071756995.db2.gz ZBOQNTGPWDSCBV-SFTDATJTSA-N 2 1 464.655 1.830 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504854315 1071762843 /nfs/dbraw/zinc/76/28/43/1071762843.db2.gz GRPILCMENQHURG-OFNKIYASSA-N 2 1 469.634 1.512 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504854315 1071762853 /nfs/dbraw/zinc/76/28/53/1071762853.db2.gz GRPILCMENQHURG-OFNKIYASSA-N 2 1 469.634 1.512 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001504857104 1071773759 /nfs/dbraw/zinc/77/37/59/1071773759.db2.gz KJBLMZXLFZVHMI-NRFANRHFSA-N 2 1 457.623 1.775 20 0 JDADMP COCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504859209 1071786932 /nfs/dbraw/zinc/78/69/32/1071786932.db2.gz WLYQDZWPZKYCDE-DENIHFKCSA-N 2 1 489.690 1.497 20 0 JDADMP COCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504859209 1071786942 /nfs/dbraw/zinc/78/69/42/1071786942.db2.gz WLYQDZWPZKYCDE-DENIHFKCSA-N 2 1 489.690 1.497 20 0 JDADMP COCC[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001504861380 1071798571 /nfs/dbraw/zinc/79/85/71/1071798571.db2.gz NHGSJIUBNWMYKW-PMACEKPBSA-N 2 1 493.653 1.449 20 0 JDADMP COCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001504861380 1071798594 /nfs/dbraw/zinc/79/85/94/1071798594.db2.gz NHGSJIUBNWMYKW-PMACEKPBSA-N 2 1 493.653 1.449 20 0 JDADMP COCC[NH+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001504861380 1071798606 /nfs/dbraw/zinc/79/86/06/1071798606.db2.gz NHGSJIUBNWMYKW-PMACEKPBSA-N 2 1 493.653 1.449 20 0 JDADMP COCC[NH+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001504861380 1071798613 /nfs/dbraw/zinc/79/86/13/1071798613.db2.gz NHGSJIUBNWMYKW-PMACEKPBSA-N 2 1 493.653 1.449 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001504904007 1071842740 /nfs/dbraw/zinc/84/27/40/1071842740.db2.gz IGQVJDLQZRQOOA-UFYCRDLUSA-N 2 1 485.699 1.166 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001504904002 1071842538 /nfs/dbraw/zinc/84/25/38/1071842538.db2.gz IGQVJDLQZRQOOA-AQNXPRMDSA-N 2 1 485.699 1.166 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001504914703 1071875479 /nfs/dbraw/zinc/87/54/79/1071875479.db2.gz PTWQRVCQLQDCNQ-RTWAWAEBSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001504914703 1071875483 /nfs/dbraw/zinc/87/54/83/1071875483.db2.gz PTWQRVCQLQDCNQ-RTWAWAEBSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001504914703 1071875487 /nfs/dbraw/zinc/87/54/87/1071875487.db2.gz PTWQRVCQLQDCNQ-RTWAWAEBSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001504914733 1071876166 /nfs/dbraw/zinc/87/61/66/1071876166.db2.gz QEMRNNQWAWXQJG-IBGZPJMESA-N 2 1 452.607 1.945 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001504916221 1071879855 /nfs/dbraw/zinc/87/98/55/1071879855.db2.gz BYNQGPPNARSGEB-SFTDATJTSA-N 2 1 455.607 1.609 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504916286 1071880079 /nfs/dbraw/zinc/88/00/79/1071880079.db2.gz FESJIPZMCTYHTE-AQNXPRMDSA-N 2 1 472.638 1.780 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504916286 1071880083 /nfs/dbraw/zinc/88/00/83/1071880083.db2.gz FESJIPZMCTYHTE-AQNXPRMDSA-N 2 1 472.638 1.780 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504916286 1071880088 /nfs/dbraw/zinc/88/00/88/1071880088.db2.gz FESJIPZMCTYHTE-AQNXPRMDSA-N 2 1 472.638 1.780 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001504916590 1071880663 /nfs/dbraw/zinc/88/06/63/1071880663.db2.gz HOZNPBJCSQJQSB-PMACEKPBSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001504916590 1071880670 /nfs/dbraw/zinc/88/06/70/1071880670.db2.gz HOZNPBJCSQJQSB-PMACEKPBSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001504916590 1071880678 /nfs/dbraw/zinc/88/06/78/1071880678.db2.gz HOZNPBJCSQJQSB-PMACEKPBSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001504920961 1071894470 /nfs/dbraw/zinc/89/44/70/1071894470.db2.gz SNZMGJYXEDXWJE-VQTJNVASSA-N 2 1 464.655 1.828 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001504920962 1071894518 /nfs/dbraw/zinc/89/45/18/1071894518.db2.gz SNZMGJYXEDXWJE-WOJBJXKFSA-N 2 1 464.655 1.828 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001504923809 1071905292 /nfs/dbraw/zinc/90/52/92/1071905292.db2.gz JYZAXGDGFBVRQY-YKSBVNFPSA-N 2 1 458.607 1.123 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001504923809 1071905302 /nfs/dbraw/zinc/90/53/02/1071905302.db2.gz JYZAXGDGFBVRQY-YKSBVNFPSA-N 2 1 458.607 1.123 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001504923809 1071905321 /nfs/dbraw/zinc/90/53/21/1071905321.db2.gz JYZAXGDGFBVRQY-YKSBVNFPSA-N 2 1 458.607 1.123 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001504923203 1071901108 /nfs/dbraw/zinc/90/11/08/1071901108.db2.gz FGLCUGOGJHGHJU-FQEVSTJZSA-N 2 1 461.655 1.822 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001504924444 1071907856 /nfs/dbraw/zinc/90/78/56/1071907856.db2.gz WNDCHEHAIQXFBL-VXKWHMMOSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001504924444 1071907867 /nfs/dbraw/zinc/90/78/67/1071907867.db2.gz WNDCHEHAIQXFBL-VXKWHMMOSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001504924444 1071907874 /nfs/dbraw/zinc/90/78/74/1071907874.db2.gz WNDCHEHAIQXFBL-VXKWHMMOSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001504925865 1071915845 /nfs/dbraw/zinc/91/58/45/1071915845.db2.gz GYMJDLPYONEKDW-UHFFFAOYSA-N 2 1 489.640 1.791 20 0 JDADMP COCC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001504925865 1071915852 /nfs/dbraw/zinc/91/58/52/1071915852.db2.gz GYMJDLPYONEKDW-UHFFFAOYSA-N 2 1 489.640 1.791 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001504946795 1071989975 /nfs/dbraw/zinc/98/99/75/1071989975.db2.gz QUQFHLXRUQZMHC-VSKRKVRLSA-N 2 1 494.681 1.394 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001504990117 1072048506 /nfs/dbraw/zinc/04/85/06/1072048506.db2.gz UZXPVMKRIFBLRW-FQEVSTJZSA-N 2 1 465.687 1.949 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCn1cc[nH+]c1C ZINC001504994749 1072062933 /nfs/dbraw/zinc/06/29/33/1072062933.db2.gz NDTMNQPRXLOZNW-RTBURBONSA-N 2 1 461.611 1.897 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCn1cc[nH+]c1C ZINC001504994749 1072062948 /nfs/dbraw/zinc/06/29/48/1072062948.db2.gz NDTMNQPRXLOZNW-RTBURBONSA-N 2 1 461.611 1.897 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001504994793 1072063714 /nfs/dbraw/zinc/06/37/14/1072063714.db2.gz KPADTUBTPKXTGU-PGRDOPGGSA-N 2 1 464.636 1.452 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504994793 1072063721 /nfs/dbraw/zinc/06/37/21/1072063721.db2.gz KPADTUBTPKXTGU-PGRDOPGGSA-N 2 1 464.636 1.452 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001505001305 1072080824 /nfs/dbraw/zinc/08/08/24/1072080824.db2.gz WLSYRIQDFGMYNO-YZGWKJHDSA-N 2 1 464.636 1.887 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001505001305 1072080835 /nfs/dbraw/zinc/08/08/35/1072080835.db2.gz WLSYRIQDFGMYNO-YZGWKJHDSA-N 2 1 464.636 1.887 20 0 JDADMP COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[NH+]1CC=CCC1 ZINC001505064734 1072166949 /nfs/dbraw/zinc/16/69/49/1072166949.db2.gz UPGMFBJPPUETRF-LRSLUSHPSA-N 2 1 462.639 1.809 20 0 JDADMP COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[NH+]1CC=CCC1 ZINC001505064734 1072166958 /nfs/dbraw/zinc/16/69/58/1072166958.db2.gz UPGMFBJPPUETRF-LRSLUSHPSA-N 2 1 462.639 1.809 20 0 JDADMP COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CC=CCC1 ZINC001505064734 1072166961 /nfs/dbraw/zinc/16/69/61/1072166961.db2.gz UPGMFBJPPUETRF-LRSLUSHPSA-N 2 1 462.639 1.809 20 0 JDADMP COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001505064734 1072166963 /nfs/dbraw/zinc/16/69/63/1072166963.db2.gz UPGMFBJPPUETRF-LRSLUSHPSA-N 2 1 462.639 1.809 20 0 JDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)cc2)CC1 ZINC001466114665 1067860668 /nfs/dbraw/zinc/86/06/68/1067860668.db2.gz XLULSMQKQCQRCD-DEOSSOPVSA-N 2 1 451.615 1.453 20 0 JDADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc21 ZINC001466130953 1067862953 /nfs/dbraw/zinc/86/29/53/1067862953.db2.gz CMWRPLYCFZWSOZ-RTWAWAEBSA-N 2 1 451.571 1.916 20 0 JDADMP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC001466171633 1067866991 /nfs/dbraw/zinc/86/69/91/1067866991.db2.gz WVCZIIRSYGIDEB-XZOQPEGZSA-N 2 1 458.603 1.662 20 0 JDADMP CN1CC[NH+](CC2(C)CCN(C(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001466748109 1067913673 /nfs/dbraw/zinc/91/36/73/1067913673.db2.gz LLROFRCCTDAAHS-UHFFFAOYSA-N 2 1 451.656 1.805 20 0 JDADMP C[NH+](C)C[C@@H](CO)NC(=O)CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC001467814860 1068068297 /nfs/dbraw/zinc/06/82/97/1068068297.db2.gz QKBUECCGBCAXJA-IBGZPJMESA-N 2 1 450.583 1.720 20 0 JDADMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001467877330 1068082387 /nfs/dbraw/zinc/08/23/87/1068082387.db2.gz QYAPOZHURBNNLP-QFIPXVFZSA-N 2 1 457.619 1.859 20 0 JDADMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3CO)cn2)CC1 ZINC001467905683 1068090797 /nfs/dbraw/zinc/09/07/97/1068090797.db2.gz ASNAXBJRPGDADX-DHIUTWEWSA-N 2 1 452.603 1.516 20 0 JDADMP C[NH+](C)CCN1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)CC1=O ZINC001468287297 1068225978 /nfs/dbraw/zinc/22/59/78/1068225978.db2.gz ZELKXASKKKEFJI-UHFFFAOYSA-N 2 1 451.015 1.268 20 0 JDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001468452495 1068281908 /nfs/dbraw/zinc/28/19/08/1068281908.db2.gz KYLLPPYQSGHCKN-JOCHJYFZSA-N 2 1 459.635 1.646 20 0 JDADMP CC[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001469249526 1068475616 /nfs/dbraw/zinc/47/56/16/1068475616.db2.gz QFWVXJNDGKOWMD-GOTSBHOMSA-N 2 1 457.619 1.616 20 0 JDADMP CC[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001469249526 1068475626 /nfs/dbraw/zinc/47/56/26/1068475626.db2.gz QFWVXJNDGKOWMD-GOTSBHOMSA-N 2 1 457.619 1.616 20 0 JDADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCCc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001470104944 1068698370 /nfs/dbraw/zinc/69/83/70/1068698370.db2.gz PBFMHDIXYWYVFM-BRTIRZTQSA-N 2 1 456.635 1.364 20 0 JDADMP CC1(C)CN(C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)CC[N@H+]1CCO ZINC001470174658 1068714541 /nfs/dbraw/zinc/71/45/41/1068714541.db2.gz GJPQCBQGOFAUDP-UHFFFAOYSA-N 2 1 459.635 1.456 20 0 JDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001470506729 1068773554 /nfs/dbraw/zinc/77/35/54/1068773554.db2.gz JDEIMIGGZBVEBC-DNQXCXABSA-N 2 1 473.662 1.619 20 0 JDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(C[NH+]4CCC(C(N)=O)CC4)cc3)CC2)C1 ZINC001470519204 1068775330 /nfs/dbraw/zinc/77/53/30/1068775330.db2.gz ZRBUXILINRSCMX-QHCPKHFHSA-N 2 1 456.635 1.305 20 0 JDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001470551089 1068781030 /nfs/dbraw/zinc/78/10/30/1068781030.db2.gz FBRGYHHSKTVUKM-DHIUTWEWSA-N 2 1 459.635 1.719 20 0 JDADMP CC[C@@H]1C(=O)NCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[N@@H+](C)C(C)C ZINC001499322742 1068981918 /nfs/dbraw/zinc/98/19/18/1068981918.db2.gz UDSYOJXIOMVQHH-HSZRJFAPSA-N 2 1 482.677 1.698 20 0 JDADMP CC[C@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001499462662 1069003015 /nfs/dbraw/zinc/00/30/15/1069003015.db2.gz IAILEIOZHWYJDI-PMACEKPBSA-N 2 1 469.700 1.931 20 0 JDADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001499462709 1069004337 /nfs/dbraw/zinc/00/43/37/1069004337.db2.gz IRLRYBPDRIKKGT-NHCUHLMSSA-N 2 1 461.655 1.839 20 0 JDADMP CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001499462709 1069004352 /nfs/dbraw/zinc/00/43/52/1069004352.db2.gz IRLRYBPDRIKKGT-NHCUHLMSSA-N 2 1 461.655 1.839 20 0 JDADMP CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001499462711 1069004644 /nfs/dbraw/zinc/00/46/44/1069004644.db2.gz IRLRYBPDRIKKGT-SFTDATJTSA-N 2 1 461.655 1.839 20 0 JDADMP CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001499462711 1069004653 /nfs/dbraw/zinc/00/46/53/1069004653.db2.gz IRLRYBPDRIKKGT-SFTDATJTSA-N 2 1 461.655 1.839 20 0 JDADMP CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC001499637416 1069020426 /nfs/dbraw/zinc/02/04/26/1069020426.db2.gz CLDLHWGEADBUFM-OAQYLSRUSA-N 2 1 491.681 1.296 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499718973 1069048900 /nfs/dbraw/zinc/04/89/00/1069048900.db2.gz DJRRCNWQXCVSDK-VQTJNVASSA-N 2 1 458.611 1.250 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001499719352 1069049796 /nfs/dbraw/zinc/04/97/96/1069049796.db2.gz HRYJANMLTDHTFA-XMSQKQJNSA-N 2 1 460.652 1.719 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001499723084 1069053082 /nfs/dbraw/zinc/05/30/82/1069053082.db2.gz SJCVOCKKERIFMH-CGXNFDGLSA-N 2 1 461.655 1.753 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001499723278 1069054011 /nfs/dbraw/zinc/05/40/11/1069054011.db2.gz VZCIOTOSTSISLQ-NJDAHSKKSA-N 2 1 461.655 1.897 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001499723086 1069054044 /nfs/dbraw/zinc/05/40/44/1069054044.db2.gz SJCVOCKKERIFMH-MXEMCNAFSA-N 2 1 461.655 1.753 20 0 JDADMP CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001499786836 1069086544 /nfs/dbraw/zinc/08/65/44/1069086544.db2.gz XLVKZOFBYMTQBI-DVECYGJZSA-N 2 1 476.597 1.610 20 0 JDADMP CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001499786836 1069086552 /nfs/dbraw/zinc/08/65/52/1069086552.db2.gz XLVKZOFBYMTQBI-DVECYGJZSA-N 2 1 476.597 1.610 20 0 JDADMP CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001499786836 1069086557 /nfs/dbraw/zinc/08/65/57/1069086557.db2.gz XLVKZOFBYMTQBI-DVECYGJZSA-N 2 1 476.597 1.610 20 0 JDADMP Cc1cc(N2CC[C@H]([NH+]3CCC(C(=O)NCC[N@H+](C)Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC001473198430 1069093095 /nfs/dbraw/zinc/09/30/95/1069093095.db2.gz NBTJAPDYCBSPQG-QFIPXVFZSA-N 2 1 452.603 1.794 20 0 JDADMP Cc1cc(N2CC[C@H]([NH+]3CCC(C(=O)NCC[N@@H+](C)Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC001473198430 1069093106 /nfs/dbraw/zinc/09/31/06/1069093106.db2.gz NBTJAPDYCBSPQG-QFIPXVFZSA-N 2 1 452.603 1.794 20 0 JDADMP Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC001473272690 1069113496 /nfs/dbraw/zinc/11/34/96/1069113496.db2.gz GHNRHTFVDOKQDP-FQEVSTJZSA-N 2 1 450.649 1.974 20 0 JDADMP Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC001473272690 1069113504 /nfs/dbraw/zinc/11/35/04/1069113504.db2.gz GHNRHTFVDOKQDP-FQEVSTJZSA-N 2 1 450.649 1.974 20 0 JDADMP Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC001473272697 1069113562 /nfs/dbraw/zinc/11/35/62/1069113562.db2.gz GHNRHTFVDOKQDP-HXUWFJFHSA-N 2 1 450.649 1.974 20 0 JDADMP Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC001473272697 1069113569 /nfs/dbraw/zinc/11/35/69/1069113569.db2.gz GHNRHTFVDOKQDP-HXUWFJFHSA-N 2 1 450.649 1.974 20 0 JDADMP CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001500270120 1069231076 /nfs/dbraw/zinc/23/10/76/1069231076.db2.gz XDDSKYFBELLGDZ-YADHBBJMSA-N 2 1 477.698 1.745 20 0 JDADMP CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270120 1069231089 /nfs/dbraw/zinc/23/10/89/1069231089.db2.gz XDDSKYFBELLGDZ-YADHBBJMSA-N 2 1 477.698 1.745 20 0 JDADMP CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270120 1069231105 /nfs/dbraw/zinc/23/11/05/1069231105.db2.gz XDDSKYFBELLGDZ-YADHBBJMSA-N 2 1 477.698 1.745 20 0 JDADMP CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001500407494 1069244906 /nfs/dbraw/zinc/24/49/06/1069244906.db2.gz NTELGFLLWJTUAR-UHFFFAOYSA-N 2 1 461.655 1.795 20 0 JDADMP CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001500413887 1069247099 /nfs/dbraw/zinc/24/70/99/1069247099.db2.gz SMJXTCPYIJMZAE-UHFFFAOYSA-N 2 1 454.623 1.816 20 0 JDADMP CCCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001500414888 1069247455 /nfs/dbraw/zinc/24/74/55/1069247455.db2.gz AOIWAJSOJDISIS-FQEVSTJZSA-N 2 1 457.627 1.407 20 0 JDADMP CCCC[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001500414888 1069247468 /nfs/dbraw/zinc/24/74/68/1069247468.db2.gz AOIWAJSOJDISIS-FQEVSTJZSA-N 2 1 457.627 1.407 20 0 JDADMP CCCC[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001500414888 1069247482 /nfs/dbraw/zinc/24/74/82/1069247482.db2.gz AOIWAJSOJDISIS-FQEVSTJZSA-N 2 1 457.627 1.407 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC001500716779 1069302343 /nfs/dbraw/zinc/30/23/43/1069302343.db2.gz MXRJPMUQFKLDQF-PCCBWWKXSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001500716779 1069302359 /nfs/dbraw/zinc/30/23/59/1069302359.db2.gz MXRJPMUQFKLDQF-PCCBWWKXSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001500716779 1069302374 /nfs/dbraw/zinc/30/23/74/1069302374.db2.gz MXRJPMUQFKLDQF-PCCBWWKXSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCO[C@H](C)C2)C1 ZINC001500720133 1069303285 /nfs/dbraw/zinc/30/32/85/1069303285.db2.gz CQPAJCLTJGRZLS-BHIFYINESA-N 2 1 496.722 1.849 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001500720133 1069303299 /nfs/dbraw/zinc/30/32/99/1069303299.db2.gz CQPAJCLTJGRZLS-BHIFYINESA-N 2 1 496.722 1.849 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001500720133 1069303313 /nfs/dbraw/zinc/30/33/13/1069303313.db2.gz CQPAJCLTJGRZLS-BHIFYINESA-N 2 1 496.722 1.849 20 0 JDADMP CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CC[NH+](C)C)C[C@H]3CCC[N@H+]3CC)ccc2O1 ZINC001474915150 1069303681 /nfs/dbraw/zinc/30/36/81/1069303681.db2.gz NVXNMFODGZSYAS-WIYYLYMNSA-N 2 1 453.605 1.590 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001500721609 1069304672 /nfs/dbraw/zinc/30/46/72/1069304672.db2.gz ZXKAUWYTJCQVQQ-YSIASYRMSA-N 2 1 452.669 1.689 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001500728822 1069306178 /nfs/dbraw/zinc/30/61/78/1069306178.db2.gz ZHUULTMGPRSAJJ-QHCPKHFHSA-N 2 1 485.681 1.472 20 0 JDADMP CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC[NH+](C)CC1 ZINC001505188601 1072407161 /nfs/dbraw/zinc/40/71/61/1072407161.db2.gz VQFJOPDYLWOWHD-BZSNNMDCSA-N 2 1 485.724 1.389 20 0 JDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCCCO2)n1CCOCC[NH+](C)C ZINC001505288723 1072471078 /nfs/dbraw/zinc/47/10/78/1072471078.db2.gz ZYWGLMDVIMXMEF-FPOVZHCZSA-N 2 1 450.628 1.787 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289343 1072473116 /nfs/dbraw/zinc/47/31/16/1072473116.db2.gz GCPOPEAZGNQEQK-QHAWAJNXSA-N 2 1 463.671 1.353 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289343 1072473125 /nfs/dbraw/zinc/47/31/25/1072473125.db2.gz GCPOPEAZGNQEQK-QHAWAJNXSA-N 2 1 463.671 1.353 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc([C@@H]3CCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289343 1072473131 /nfs/dbraw/zinc/47/31/31/1072473131.db2.gz GCPOPEAZGNQEQK-QHAWAJNXSA-N 2 1 463.671 1.353 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc([C@@H]3CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289343 1072473135 /nfs/dbraw/zinc/47/31/35/1072473135.db2.gz GCPOPEAZGNQEQK-QHAWAJNXSA-N 2 1 463.671 1.353 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H](C)O1 ZINC001505289361 1072473196 /nfs/dbraw/zinc/47/31/96/1072473196.db2.gz HCBSIUGJOCWDAR-VQQMMKBISA-N 2 1 452.669 1.765 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H](C)O1 ZINC001505289361 1072473204 /nfs/dbraw/zinc/47/32/04/1072473204.db2.gz HCBSIUGJOCWDAR-VQQMMKBISA-N 2 1 452.669 1.765 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001505289867 1072474515 /nfs/dbraw/zinc/47/45/15/1072474515.db2.gz IBJZXZQISUDWBY-HSALFYBXSA-N 2 1 461.655 1.897 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001505289867 1072474519 /nfs/dbraw/zinc/47/45/19/1072474519.db2.gz IBJZXZQISUDWBY-HSALFYBXSA-N 2 1 461.655 1.897 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001505289867 1072474522 /nfs/dbraw/zinc/47/45/22/1072474522.db2.gz IBJZXZQISUDWBY-HSALFYBXSA-N 2 1 461.655 1.897 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001505289867 1072474525 /nfs/dbraw/zinc/47/45/25/1072474525.db2.gz IBJZXZQISUDWBY-HSALFYBXSA-N 2 1 461.655 1.897 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001505289868 1072474612 /nfs/dbraw/zinc/47/46/12/1072474612.db2.gz IBJZXZQISUDWBY-ZCNNSNEGSA-N 2 1 461.655 1.897 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001505289868 1072474613 /nfs/dbraw/zinc/47/46/13/1072474613.db2.gz IBJZXZQISUDWBY-ZCNNSNEGSA-N 2 1 461.655 1.897 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001505289868 1072474615 /nfs/dbraw/zinc/47/46/15/1072474615.db2.gz IBJZXZQISUDWBY-ZCNNSNEGSA-N 2 1 461.655 1.897 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001505289868 1072474617 /nfs/dbraw/zinc/47/46/17/1072474617.db2.gz IBJZXZQISUDWBY-ZCNNSNEGSA-N 2 1 461.655 1.897 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC001505290267 1072476025 /nfs/dbraw/zinc/47/60/25/1072476025.db2.gz NSBITKHJFGWXGX-BGYRXZFFSA-N 2 1 459.639 1.940 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC001505290267 1072476029 /nfs/dbraw/zinc/47/60/29/1072476029.db2.gz NSBITKHJFGWXGX-BGYRXZFFSA-N 2 1 459.639 1.940 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229682 1072993510 /nfs/dbraw/zinc/99/35/10/1072993510.db2.gz CEOIEEMYCWXZGW-QPPBQGQZSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229682 1072993532 /nfs/dbraw/zinc/99/35/32/1072993532.db2.gz CEOIEEMYCWXZGW-QPPBQGQZSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229682 1072993549 /nfs/dbraw/zinc/99/35/49/1072993549.db2.gz CEOIEEMYCWXZGW-QPPBQGQZSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CC=CCC3)C[C@@H]2C)CC1 ZINC001508230440 1072994069 /nfs/dbraw/zinc/99/40/69/1072994069.db2.gz COGSGVFXOMTRQN-UNMCSNQZSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CC=CCC3)C[C@@H]2C)CC1 ZINC001508230440 1072994078 /nfs/dbraw/zinc/99/40/78/1072994078.db2.gz COGSGVFXOMTRQN-UNMCSNQZSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CC=CCC3)C[C@@H]2C)CC1 ZINC001508230440 1072994092 /nfs/dbraw/zinc/99/40/92/1072994092.db2.gz COGSGVFXOMTRQN-UNMCSNQZSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CC=CCC3)C[C@@H]2C)CC1 ZINC001508230438 1072994249 /nfs/dbraw/zinc/99/42/49/1072994249.db2.gz COGSGVFXOMTRQN-RBBKRZOGSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CC=CCC3)C[C@@H]2C)CC1 ZINC001508230438 1072994258 /nfs/dbraw/zinc/99/42/58/1072994258.db2.gz COGSGVFXOMTRQN-RBBKRZOGSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CC=CCC3)C[C@@H]2C)CC1 ZINC001508230438 1072994265 /nfs/dbraw/zinc/99/42/65/1072994265.db2.gz COGSGVFXOMTRQN-RBBKRZOGSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508230878 1072995365 /nfs/dbraw/zinc/99/53/65/1072995365.db2.gz FBSCUCWFUIMNMD-GMAHTHKFSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508230878 1072995373 /nfs/dbraw/zinc/99/53/73/1072995373.db2.gz FBSCUCWFUIMNMD-GMAHTHKFSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508230878 1072995383 /nfs/dbraw/zinc/99/53/83/1072995383.db2.gz FBSCUCWFUIMNMD-GMAHTHKFSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508230878 1072995399 /nfs/dbraw/zinc/99/53/99/1072995399.db2.gz FBSCUCWFUIMNMD-GMAHTHKFSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@H]2C)CC1 ZINC001508234401 1073003740 /nfs/dbraw/zinc/00/37/40/1073003740.db2.gz VCJMGRRLPZUGEA-DENIHFKCSA-N 2 1 483.665 1.702 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@@H]2C)CC1 ZINC001508234419 1073004375 /nfs/dbraw/zinc/00/43/75/1073004375.db2.gz VCJMGRRLPZUGEA-UGKGYDQZSA-N 2 1 483.665 1.702 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508235139 1073005578 /nfs/dbraw/zinc/00/55/78/1073005578.db2.gz XDJDOJVNSXABSL-IRLDBZIGSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508235139 1073005589 /nfs/dbraw/zinc/00/55/89/1073005589.db2.gz XDJDOJVNSXABSL-IRLDBZIGSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508235139 1073005601 /nfs/dbraw/zinc/00/56/01/1073005601.db2.gz XDJDOJVNSXABSL-IRLDBZIGSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508235139 1073005617 /nfs/dbraw/zinc/00/56/17/1073005617.db2.gz XDJDOJVNSXABSL-IRLDBZIGSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C[C@H]2C)CC1 ZINC001508267397 1073033773 /nfs/dbraw/zinc/03/37/73/1073033773.db2.gz DHIGTQNOXQQZSI-CEMLEFRQSA-N 2 1 490.697 1.381 20 0 JDADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508274677 1073044598 /nfs/dbraw/zinc/04/45/98/1073044598.db2.gz QZBZDEBCNXXLRF-CTNGQTDRSA-N 2 1 476.670 1.135 20 0 JDADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508274677 1073044612 /nfs/dbraw/zinc/04/46/12/1073044612.db2.gz QZBZDEBCNXXLRF-CTNGQTDRSA-N 2 1 476.670 1.135 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001508275404 1073046384 /nfs/dbraw/zinc/04/63/84/1073046384.db2.gz TVGKLDLZFSPEOC-AKIFATBCSA-N 2 1 475.682 1.890 20 0 JDADMP CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001509410116 1073589032 /nfs/dbraw/zinc/58/90/32/1073589032.db2.gz ZUBMGXLQWPOFFF-VXKWHMMOSA-N 2 1 475.682 1.943 20 0 JDADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC001509437104 1073618752 /nfs/dbraw/zinc/61/87/52/1073618752.db2.gz UJODWNCSGGCWJE-UNMCSNQZSA-N 2 1 491.681 1.463 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC001509437104 1073618766 /nfs/dbraw/zinc/61/87/66/1073618766.db2.gz UJODWNCSGGCWJE-UNMCSNQZSA-N 2 1 491.681 1.463 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC001509437104 1073618781 /nfs/dbraw/zinc/61/87/81/1073618781.db2.gz UJODWNCSGGCWJE-UNMCSNQZSA-N 2 1 491.681 1.463 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001509513276 1073658283 /nfs/dbraw/zinc/65/82/83/1073658283.db2.gz MTYARLVOXGSZSD-QFIPXVFZSA-N 2 1 474.698 1.954 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001509513997 1073659444 /nfs/dbraw/zinc/65/94/44/1073659444.db2.gz OBYOIZVUWUWRMJ-FKBYEOEOSA-N 2 1 474.698 1.954 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001509514090 1073659490 /nfs/dbraw/zinc/65/94/90/1073659490.db2.gz XEAWWLMQDAIQNB-UHFFFAOYSA-N 2 1 461.655 1.679 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001509518580 1073661939 /nfs/dbraw/zinc/66/19/39/1073661939.db2.gz OBKLGPCJYVTZKB-OAQYLSRUSA-N 2 1 497.710 1.406 20 0 JDADMP CC(C)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509569876 1073689573 /nfs/dbraw/zinc/68/95/73/1073689573.db2.gz QDUZETOSGWBIHD-HXUWFJFHSA-N 2 1 457.627 1.152 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001509615728 1073738723 /nfs/dbraw/zinc/73/87/23/1073738723.db2.gz JJNFEMNSMIZMQB-NZQKXSOJSA-N 2 1 499.660 1.562 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@H](CF)[C@H](C5([NH3+])CC5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164624178 719121548 /nfs/dbraw/zinc/12/15/48/719121548.db2.gz UHKOBSASBDSAHY-PKOBYXMFSA-N 2 1 489.665 1.789 20 0 JDADMP C[NH+]1CCN(c2ccc(N([C@@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)nn2)CC1 ZINC001164682318 719592760 /nfs/dbraw/zinc/59/27/60/719592760.db2.gz BKKXUAGFNFSDSU-HXUWFJFHSA-N 2 1 456.616 1.956 20 0 JDADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@@H]21 ZINC001164843522 720594369 /nfs/dbraw/zinc/59/43/69/720594369.db2.gz XPUNPRHMDCNZJE-IPJJNNNSSA-N 2 1 452.607 1.491 20 0 JDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@@H]21 ZINC001164843522 720594385 /nfs/dbraw/zinc/59/43/85/720594385.db2.gz XPUNPRHMDCNZJE-IPJJNNNSSA-N 2 1 452.607 1.491 20 0 JDADMP CCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164747459 720838066 /nfs/dbraw/zinc/83/80/66/720838066.db2.gz QNJWMSFCDRHYIQ-KSEOMHKRSA-N 2 1 452.607 1.847 20 0 JDADMP CCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164747459 720838067 /nfs/dbraw/zinc/83/80/67/720838067.db2.gz QNJWMSFCDRHYIQ-KSEOMHKRSA-N 2 1 452.607 1.847 20 0 JDADMP CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164747450 720838160 /nfs/dbraw/zinc/83/81/60/720838160.db2.gz QNJWMSFCDRHYIQ-BAGYTPMASA-N 2 1 452.607 1.847 20 0 JDADMP CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164747450 720838161 /nfs/dbraw/zinc/83/81/61/720838161.db2.gz QNJWMSFCDRHYIQ-BAGYTPMASA-N 2 1 452.607 1.847 20 0 JDADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164750065 720955060 /nfs/dbraw/zinc/95/50/60/720955060.db2.gz JMBGSSDUTWQPIM-UHFFFAOYSA-N 2 1 469.546 1.820 20 0 JDADMP COc1ccc(CN(C)c2cc[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)n2)cc1 ZINC001164753693 720967385 /nfs/dbraw/zinc/96/73/85/720967385.db2.gz IFIGOSXDVDBBKS-UHFFFAOYSA-N 2 1 465.558 1.964 20 0 JDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164788663 721463232 /nfs/dbraw/zinc/46/32/32/721463232.db2.gz VLLILKHNJKVAGB-JOCHJYFZSA-N 2 1 471.646 1.861 20 0 JDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001165017801 721800055 /nfs/dbraw/zinc/80/00/55/721800055.db2.gz ASBJJPQSURVDTH-RBDMOPTHSA-N 2 1 470.643 1.700 20 0 JDADMP C[NH+](C)[C@@H]1CCCN(c2nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n2)C1 ZINC001165034336 721894910 /nfs/dbraw/zinc/89/49/10/721894910.db2.gz COCSSHISPVTSKH-GOSISDBHSA-N 2 1 459.664 1.806 20 0 JDADMP CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001500784034 1069310175 /nfs/dbraw/zinc/31/01/75/1069310175.db2.gz IZTSLQYECDPRMT-UGKGYDQZSA-N 2 1 469.638 1.456 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001500784034 1069310188 /nfs/dbraw/zinc/31/01/88/1069310188.db2.gz IZTSLQYECDPRMT-UGKGYDQZSA-N 2 1 469.638 1.456 20 0 JDADMP CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001500784033 1069310264 /nfs/dbraw/zinc/31/02/64/1069310264.db2.gz IZTSLQYECDPRMT-SIKLNZKXSA-N 2 1 469.638 1.456 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001500784033 1069310278 /nfs/dbraw/zinc/31/02/78/1069310278.db2.gz IZTSLQYECDPRMT-SIKLNZKXSA-N 2 1 469.638 1.456 20 0 JDADMP CCC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001500922886 1069331401 /nfs/dbraw/zinc/33/14/01/1069331401.db2.gz SAOMCBAGLPPDEQ-QZTJIDSGSA-N 2 1 455.673 1.587 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001500983762 1069344809 /nfs/dbraw/zinc/34/48/09/1069344809.db2.gz PSKBDRQQDCRGNZ-OAQYLSRUSA-N 2 1 474.698 1.737 20 0 JDADMP CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001501037476 1069367027 /nfs/dbraw/zinc/36/70/27/1069367027.db2.gz MEXIQGCESSYONG-FQEVSTJZSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001501037476 1069367040 /nfs/dbraw/zinc/36/70/40/1069367040.db2.gz MEXIQGCESSYONG-FQEVSTJZSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[NH+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001501037476 1069367051 /nfs/dbraw/zinc/36/70/51/1069367051.db2.gz MEXIQGCESSYONG-FQEVSTJZSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[NH+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001501037476 1069367064 /nfs/dbraw/zinc/36/70/64/1069367064.db2.gz MEXIQGCESSYONG-FQEVSTJZSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001501044200 1069369508 /nfs/dbraw/zinc/36/95/08/1069369508.db2.gz LIIZTMAQGTYYND-NRFANRHFSA-N 2 1 490.674 1.991 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001501044200 1069369514 /nfs/dbraw/zinc/36/95/14/1069369514.db2.gz LIIZTMAQGTYYND-NRFANRHFSA-N 2 1 490.674 1.991 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001501056345 1069371074 /nfs/dbraw/zinc/37/10/74/1069371074.db2.gz UXHLFRKOBGQKOP-SFTDATJTSA-N 2 1 497.710 1.263 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001501770406 1069630281 /nfs/dbraw/zinc/63/02/81/1069630281.db2.gz UMAOUYRMULADKW-AREMUKBSSA-N 2 1 483.661 1.701 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501770406 1069630305 /nfs/dbraw/zinc/63/03/05/1069630305.db2.gz UMAOUYRMULADKW-AREMUKBSSA-N 2 1 483.661 1.701 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001501770406 1069630196 /nfs/dbraw/zinc/63/01/96/1069630196.db2.gz UMAOUYRMULADKW-AREMUKBSSA-N 2 1 483.661 1.701 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001501770406 1069630232 /nfs/dbraw/zinc/63/02/32/1069630232.db2.gz UMAOUYRMULADKW-AREMUKBSSA-N 2 1 483.661 1.701 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001501778418 1069654742 /nfs/dbraw/zinc/65/47/42/1069654742.db2.gz JVSOADYKEQQOLV-NRFANRHFSA-N 2 1 488.681 1.265 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001501778418 1069654773 /nfs/dbraw/zinc/65/47/73/1069654773.db2.gz JVSOADYKEQQOLV-NRFANRHFSA-N 2 1 488.681 1.265 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001501778418 1069654816 /nfs/dbraw/zinc/65/48/16/1069654816.db2.gz JVSOADYKEQQOLV-NRFANRHFSA-N 2 1 488.681 1.265 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001501778418 1069654861 /nfs/dbraw/zinc/65/48/61/1069654861.db2.gz JVSOADYKEQQOLV-NRFANRHFSA-N 2 1 488.681 1.265 20 0 JDADMP CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001501783579 1069674960 /nfs/dbraw/zinc/67/49/60/1069674960.db2.gz NWUJPYPPCRTSDJ-QHCPKHFHSA-N 2 1 498.676 1.687 20 0 JDADMP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001501793341 1069719280 /nfs/dbraw/zinc/71/92/80/1069719280.db2.gz YYJVBYAEBOWIIC-FQEVSTJZSA-N 2 1 471.654 1.690 20 0 JDADMP CC[NH+](CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)c1ccco1 ZINC001501816166 1069736163 /nfs/dbraw/zinc/73/61/63/1069736163.db2.gz WXRBERIBFCAKEH-CEXWTWQISA-N 2 1 495.650 1.085 20 0 JDADMP CC[NH+](CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)c1ccco1 ZINC001501816166 1069736188 /nfs/dbraw/zinc/73/61/88/1069736188.db2.gz WXRBERIBFCAKEH-CEXWTWQISA-N 2 1 495.650 1.085 20 0 JDADMP CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)c1ccco1 ZINC001501816169 1069737065 /nfs/dbraw/zinc/73/70/65/1069737065.db2.gz WXRBERIBFCAKEH-IPMKNSEASA-N 2 1 495.650 1.085 20 0 JDADMP CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1)c1ccco1 ZINC001501816169 1069737089 /nfs/dbraw/zinc/73/70/89/1069737089.db2.gz WXRBERIBFCAKEH-IPMKNSEASA-N 2 1 495.650 1.085 20 0 JDADMP CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)CC1 ZINC001501887077 1069753006 /nfs/dbraw/zinc/75/30/06/1069753006.db2.gz HPSOCFZVBXJKOG-MRXNPFEDSA-N 2 1 452.629 1.404 20 0 JDADMP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001501896124 1069757571 /nfs/dbraw/zinc/75/75/71/1069757571.db2.gz YDLHWECMFTYAMY-QZTJIDSGSA-N 2 1 452.669 1.974 20 0 JDADMP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001501896126 1069758050 /nfs/dbraw/zinc/75/80/50/1069758050.db2.gz YDLHWECMFTYAMY-ZWKOTPCHSA-N 2 1 452.669 1.974 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001501903597 1069770646 /nfs/dbraw/zinc/77/06/46/1069770646.db2.gz BYCVPPNRRKNZRK-UHFFFAOYSA-N 2 1 471.654 1.543 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001501903635 1069771251 /nfs/dbraw/zinc/77/12/51/1069771251.db2.gz DFQQBIXGWZCDTQ-OAQYLSRUSA-N 2 1 499.664 1.226 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001501903689 1069773942 /nfs/dbraw/zinc/77/39/42/1069773942.db2.gz FTHFHQSNJSWPJO-JOCHJYFZSA-N 2 1 483.661 1.965 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001501904133 1069779953 /nfs/dbraw/zinc/77/99/53/1069779953.db2.gz WAJLCKPSHHKXMD-HXUWFJFHSA-N 2 1 456.639 1.758 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001501904224 1069782296 /nfs/dbraw/zinc/78/22/96/1069782296.db2.gz ZAXZVXGIFMHIQK-QFIPXVFZSA-N 2 1 498.676 1.831 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001501907334 1069793624 /nfs/dbraw/zinc/79/36/24/1069793624.db2.gz UIPFCAKSIVJUOA-VXKWHMMOSA-N 2 1 491.681 1.478 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001501910068 1069800015 /nfs/dbraw/zinc/80/00/15/1069800015.db2.gz MMMPDTAMRPDFPP-QFIPXVFZSA-N 2 1 482.677 1.986 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001501910067 1069800060 /nfs/dbraw/zinc/80/00/60/1069800060.db2.gz MMMPDTAMRPDFPP-JOCHJYFZSA-N 2 1 482.677 1.986 20 0 JDADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001501921623 1069802285 /nfs/dbraw/zinc/80/22/85/1069802285.db2.gz FODSJANBPANUJX-NRFANRHFSA-N 2 1 474.698 1.708 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001501965222 1069808725 /nfs/dbraw/zinc/80/87/25/1069808725.db2.gz RODPGCYZBQCFSB-BAGYTPMASA-N 2 1 461.655 1.850 20 0 JDADMP CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951572 1069806036 /nfs/dbraw/zinc/80/60/36/1069806036.db2.gz BGXAOSOPNZRGHR-NZQKXSOJSA-N 2 1 483.665 1.846 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001501954556 1069806739 /nfs/dbraw/zinc/80/67/39/1069806739.db2.gz DNJQGXJPRGZWGK-UXHICEINSA-N 2 1 483.683 1.017 20 0 JDADMP C[C@H](CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001477273065 1069809210 /nfs/dbraw/zinc/80/92/10/1069809210.db2.gz VQVXPGNCFYEWQQ-JOCHJYFZSA-N 2 1 458.651 1.293 20 0 JDADMP CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001501962440 1069808476 /nfs/dbraw/zinc/80/84/76/1069808476.db2.gz SLZSAHLVOZILIC-FQEVSTJZSA-N 2 1 461.655 1.822 20 0 JDADMP CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001502185665 1069846469 /nfs/dbraw/zinc/84/64/69/1069846469.db2.gz LSVATURLJVGUNQ-WOJBJXKFSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001502185665 1069846470 /nfs/dbraw/zinc/84/64/70/1069846470.db2.gz LSVATURLJVGUNQ-WOJBJXKFSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001502185723 1069846855 /nfs/dbraw/zinc/84/68/55/1069846855.db2.gz NHZKDFFYXZEQEY-OALUTQOASA-N 2 1 455.673 1.683 20 0 JDADMP CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001502185724 1069846865 /nfs/dbraw/zinc/84/68/65/1069846865.db2.gz NHZKDFFYXZEQEY-RBUKOAKNSA-N 2 1 455.673 1.683 20 0 JDADMP CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C(C)C ZINC001502193722 1069849812 /nfs/dbraw/zinc/84/98/12/1069849812.db2.gz NPJLUVIXRIZONH-OAQYLSRUSA-N 2 1 454.623 1.813 20 0 JDADMP CC[NH+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC001502193722 1069849813 /nfs/dbraw/zinc/84/98/13/1069849813.db2.gz NPJLUVIXRIZONH-OAQYLSRUSA-N 2 1 454.623 1.813 20 0 JDADMP CC[NH+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)C ZINC001502193722 1069849817 /nfs/dbraw/zinc/84/98/17/1069849817.db2.gz NPJLUVIXRIZONH-OAQYLSRUSA-N 2 1 454.623 1.813 20 0 JDADMP CC[N@H+](CCn1c(-c2cnccn2)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502195170 1069850953 /nfs/dbraw/zinc/85/09/53/1069850953.db2.gz GXFRGXKOUNUBOT-MRXNPFEDSA-N 2 1 454.501 1.530 20 0 JDADMP CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502195170 1069850954 /nfs/dbraw/zinc/85/09/54/1069850954.db2.gz GXFRGXKOUNUBOT-MRXNPFEDSA-N 2 1 454.501 1.530 20 0 JDADMP CC[NH+](CCn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502195170 1069850955 /nfs/dbraw/zinc/85/09/55/1069850955.db2.gz GXFRGXKOUNUBOT-MRXNPFEDSA-N 2 1 454.501 1.530 20 0 JDADMP CC[NH+](CCn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502195170 1069850956 /nfs/dbraw/zinc/85/09/56/1069850956.db2.gz GXFRGXKOUNUBOT-MRXNPFEDSA-N 2 1 454.501 1.530 20 0 JDADMP CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502204104 1069857421 /nfs/dbraw/zinc/85/74/21/1069857421.db2.gz HFQIEEPRIXSPCM-LJQANCHMSA-N 2 1 484.571 1.935 20 0 JDADMP CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502204104 1069857422 /nfs/dbraw/zinc/85/74/22/1069857422.db2.gz HFQIEEPRIXSPCM-LJQANCHMSA-N 2 1 484.571 1.935 20 0 JDADMP CC[NH+](CCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502204104 1069857423 /nfs/dbraw/zinc/85/74/23/1069857423.db2.gz HFQIEEPRIXSPCM-LJQANCHMSA-N 2 1 484.571 1.935 20 0 JDADMP CC[NH+](CCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502204104 1069857426 /nfs/dbraw/zinc/85/74/26/1069857426.db2.gz HFQIEEPRIXSPCM-LJQANCHMSA-N 2 1 484.571 1.935 20 0 JDADMP O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001477874874 1069871834 /nfs/dbraw/zinc/87/18/34/1069871834.db2.gz TXTDGFMFYJZLGT-NRFANRHFSA-N 2 1 453.697 1.834 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001502244046 1069915737 /nfs/dbraw/zinc/91/57/37/1069915737.db2.gz BBXUEMIHOWTZRH-MUGJNUQGSA-N 2 1 485.699 1.164 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001502244046 1069915772 /nfs/dbraw/zinc/91/57/72/1069915772.db2.gz BBXUEMIHOWTZRH-MUGJNUQGSA-N 2 1 485.699 1.164 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001502244046 1069915812 /nfs/dbraw/zinc/91/58/12/1069915812.db2.gz BBXUEMIHOWTZRH-MUGJNUQGSA-N 2 1 485.699 1.164 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001502245002 1069917403 /nfs/dbraw/zinc/91/74/03/1069917403.db2.gz NRWJXLXRXFLPQT-OALUTQOASA-N 2 1 470.622 1.955 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502245429 1069921984 /nfs/dbraw/zinc/92/19/84/1069921984.db2.gz SNUWEQLPWACOCM-SLFFLAALSA-N 2 1 469.700 1.929 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001502245434 1069922713 /nfs/dbraw/zinc/92/27/13/1069922713.db2.gz SOUXLVRXLPFYQS-YRXWBPOGSA-N 2 1 455.673 1.539 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC001502270401 1069985875 /nfs/dbraw/zinc/98/58/75/1069985875.db2.gz LKOUMCQZMKYIIF-AQNXPRMDSA-N 2 1 467.684 1.542 20 0 JDADMP CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001502270559 1069988118 /nfs/dbraw/zinc/98/81/18/1069988118.db2.gz OMLOSTKMOZFERI-RBBKRZOGSA-N 2 1 469.634 1.614 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001502270559 1069988144 /nfs/dbraw/zinc/98/81/44/1069988144.db2.gz OMLOSTKMOZFERI-RBBKRZOGSA-N 2 1 469.634 1.614 20 0 JDADMP CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC001502270686 1069989447 /nfs/dbraw/zinc/98/94/47/1069989447.db2.gz REWRXLFKKIVMLU-RTWAWAEBSA-N 2 1 460.671 1.363 20 0 JDADMP CC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)C1 ZINC001502271952 1069995060 /nfs/dbraw/zinc/99/50/60/1069995060.db2.gz OKZSSYLWVSHHHI-SQOUVECCSA-N 2 1 491.681 1.333 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)C1 ZINC001502271952 1069995081 /nfs/dbraw/zinc/99/50/81/1069995081.db2.gz OKZSSYLWVSHHHI-SQOUVECCSA-N 2 1 491.681 1.333 20 0 JDADMP CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001502276257 1070003454 /nfs/dbraw/zinc/00/34/54/1070003454.db2.gz OEAPDDGFWNVUKG-UXHICEINSA-N 2 1 497.710 1.263 20 0 JDADMP CC[NH+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001502276257 1070003470 /nfs/dbraw/zinc/00/34/70/1070003470.db2.gz OEAPDDGFWNVUKG-UXHICEINSA-N 2 1 497.710 1.263 20 0 JDADMP CC[NH+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001502276257 1070003486 /nfs/dbraw/zinc/00/34/86/1070003486.db2.gz OEAPDDGFWNVUKG-UXHICEINSA-N 2 1 497.710 1.263 20 0 JDADMP CC[N@H+]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001502276259 1070003640 /nfs/dbraw/zinc/00/36/40/1070003640.db2.gz OEAPDDGFWNVUKG-WOJBJXKFSA-N 2 1 497.710 1.263 20 0 JDADMP CC[NH+]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001502276259 1070003646 /nfs/dbraw/zinc/00/36/46/1070003646.db2.gz OEAPDDGFWNVUKG-WOJBJXKFSA-N 2 1 497.710 1.263 20 0 JDADMP CC[NH+]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001502276259 1070003653 /nfs/dbraw/zinc/00/36/53/1070003653.db2.gz OEAPDDGFWNVUKG-WOJBJXKFSA-N 2 1 497.710 1.263 20 0 JDADMP C[NH+](C)CCN1CCN(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1=O ZINC001478535360 1070016350 /nfs/dbraw/zinc/01/63/50/1070016350.db2.gz DZEJZOCBZUHVOZ-UHFFFAOYSA-N 2 1 454.575 1.721 20 0 JDADMP CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001502282052 1070016469 /nfs/dbraw/zinc/01/64/69/1070016469.db2.gz RDLOMBBIYCTKCU-CEMLEFRQSA-N 2 1 488.681 1.280 20 0 JDADMP CC[NH+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502282052 1070016484 /nfs/dbraw/zinc/01/64/84/1070016484.db2.gz RDLOMBBIYCTKCU-CEMLEFRQSA-N 2 1 488.681 1.280 20 0 JDADMP CC[NH+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502282052 1070016499 /nfs/dbraw/zinc/01/64/99/1070016499.db2.gz RDLOMBBIYCTKCU-CEMLEFRQSA-N 2 1 488.681 1.280 20 0 JDADMP CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001502281531 1070013400 /nfs/dbraw/zinc/01/34/00/1070013400.db2.gz JMRPAYDTTHDLIL-PKOBYXMFSA-N 2 1 453.657 1.437 20 0 JDADMP CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001502281530 1070013746 /nfs/dbraw/zinc/01/37/46/1070013746.db2.gz JMRPAYDTTHDLIL-MJGOQNOKSA-N 2 1 453.657 1.437 20 0 JDADMP CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001502291639 1070030413 /nfs/dbraw/zinc/03/04/13/1070030413.db2.gz DZDZIHXPDGTBOJ-ZCNNSNEGSA-N 2 1 483.683 1.064 20 0 JDADMP CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001502291639 1070030432 /nfs/dbraw/zinc/03/04/32/1070030432.db2.gz DZDZIHXPDGTBOJ-ZCNNSNEGSA-N 2 1 483.683 1.064 20 0 JDADMP CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001502291638 1070030859 /nfs/dbraw/zinc/03/08/59/1070030859.db2.gz DZDZIHXPDGTBOJ-XUVXKRRUSA-N 2 1 483.683 1.064 20 0 JDADMP CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001502291638 1070030881 /nfs/dbraw/zinc/03/08/81/1070030881.db2.gz DZDZIHXPDGTBOJ-XUVXKRRUSA-N 2 1 483.683 1.064 20 0 JDADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001479045953 1070082155 /nfs/dbraw/zinc/08/21/55/1070082155.db2.gz QLMJLRZDIZCGBM-FGZHOGPDSA-N 2 1 463.667 1.900 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001502318226 1070128441 /nfs/dbraw/zinc/12/84/41/1070128441.db2.gz WRFDUGHOXVBDKU-HTAPYJJXSA-N 2 1 458.636 1.893 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001502318227 1070128755 /nfs/dbraw/zinc/12/87/55/1070128755.db2.gz WRFDUGHOXVBDKU-JTSKRJEESA-N 2 1 458.636 1.893 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502317870 1070126020 /nfs/dbraw/zinc/12/60/20/1070126020.db2.gz PNCSRYQXPSQKQB-SBUREZEXSA-N 2 1 476.025 1.459 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001502317870 1070126045 /nfs/dbraw/zinc/12/60/45/1070126045.db2.gz PNCSRYQXPSQKQB-SBUREZEXSA-N 2 1 476.025 1.459 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001502317870 1070126071 /nfs/dbraw/zinc/12/60/71/1070126071.db2.gz PNCSRYQXPSQKQB-SBUREZEXSA-N 2 1 476.025 1.459 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502317871 1070126838 /nfs/dbraw/zinc/12/68/38/1070126838.db2.gz PNCSRYQXPSQKQB-UZUQRXQVSA-N 2 1 476.025 1.459 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001502317871 1070126861 /nfs/dbraw/zinc/12/68/61/1070126861.db2.gz PNCSRYQXPSQKQB-UZUQRXQVSA-N 2 1 476.025 1.459 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001502317871 1070126883 /nfs/dbraw/zinc/12/68/83/1070126883.db2.gz PNCSRYQXPSQKQB-UZUQRXQVSA-N 2 1 476.025 1.459 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001502318228 1070127620 /nfs/dbraw/zinc/12/76/20/1070127620.db2.gz WRFDUGHOXVBDKU-VGOFRKELSA-N 2 1 458.636 1.893 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001502318811 1070130944 /nfs/dbraw/zinc/13/09/44/1070130944.db2.gz GTTFPAILVGSBAU-MSOLQXFVSA-N 2 1 455.673 1.541 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001502318811 1070130989 /nfs/dbraw/zinc/13/09/89/1070130989.db2.gz GTTFPAILVGSBAU-MSOLQXFVSA-N 2 1 455.673 1.541 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001502318811 1070131014 /nfs/dbraw/zinc/13/10/14/1070131014.db2.gz GTTFPAILVGSBAU-MSOLQXFVSA-N 2 1 455.673 1.541 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001502319140 1070132103 /nfs/dbraw/zinc/13/21/03/1070132103.db2.gz LKKKGPAZBVDTRB-AQNXPRMDSA-N 2 1 469.700 1.931 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001502319140 1070132129 /nfs/dbraw/zinc/13/21/29/1070132129.db2.gz LKKKGPAZBVDTRB-AQNXPRMDSA-N 2 1 469.700 1.931 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001502319140 1070132152 /nfs/dbraw/zinc/13/21/52/1070132152.db2.gz LKKKGPAZBVDTRB-AQNXPRMDSA-N 2 1 469.700 1.931 20 0 JDADMP CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001502320687 1070138236 /nfs/dbraw/zinc/13/82/36/1070138236.db2.gz MVVGDSZPPYKIDA-MSOLQXFVSA-N 2 1 463.652 1.676 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001502327333 1070151519 /nfs/dbraw/zinc/15/15/19/1070151519.db2.gz MDTHDMPZBQYTPI-TUFLPTIASA-N 2 1 497.710 1.262 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001502327333 1070151525 /nfs/dbraw/zinc/15/15/25/1070151525.db2.gz MDTHDMPZBQYTPI-TUFLPTIASA-N 2 1 497.710 1.262 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001502327333 1070151536 /nfs/dbraw/zinc/15/15/36/1070151536.db2.gz MDTHDMPZBQYTPI-TUFLPTIASA-N 2 1 497.710 1.262 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502327956 1070158362 /nfs/dbraw/zinc/15/83/62/1070158362.db2.gz WYHLGZMNOOBEEN-SFTDATJTSA-N 2 1 497.710 1.263 20 0 JDADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001502329968 1070163931 /nfs/dbraw/zinc/16/39/31/1070163931.db2.gz LXUYUVCSPCVOIB-QGZVFWFLSA-N 2 1 463.677 1.849 20 0 JDADMP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001502332012 1070168170 /nfs/dbraw/zinc/16/81/70/1070168170.db2.gz BGZBUCWNVHMGFU-NRFANRHFSA-N 2 1 460.671 1.461 20 0 JDADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334673 1070188401 /nfs/dbraw/zinc/18/84/01/1070188401.db2.gz NMLNTJWZDREIRN-HKBOAZHASA-N 2 1 460.671 1.422 20 0 JDADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334675 1070188694 /nfs/dbraw/zinc/18/86/94/1070188694.db2.gz NMLNTJWZDREIRN-NJYVYQBISA-N 2 1 460.671 1.422 20 0 JDADMP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502341380 1070227498 /nfs/dbraw/zinc/22/74/98/1070227498.db2.gz VAYFSDZBQOXJRW-FGZHOGPDSA-N 2 1 472.682 1.714 20 0 JDADMP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502343770 1070243429 /nfs/dbraw/zinc/24/34/29/1070243429.db2.gz UGLNGOVHXDGJMX-FKBYEOEOSA-N 2 1 463.671 1.213 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001493263099 1070267982 /nfs/dbraw/zinc/26/79/82/1070267982.db2.gz OVHHZOROOUUFHL-NJYVYQBISA-N 2 1 461.655 1.695 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001493263097 1070268205 /nfs/dbraw/zinc/26/82/05/1070268205.db2.gz OVHHZOROOUUFHL-NJDAHSKKSA-N 2 1 461.655 1.695 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001493263097 1070268235 /nfs/dbraw/zinc/26/82/35/1070268235.db2.gz OVHHZOROOUUFHL-NJDAHSKKSA-N 2 1 461.655 1.695 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001493263099 1070267954 /nfs/dbraw/zinc/26/79/54/1070267954.db2.gz OVHHZOROOUUFHL-NJYVYQBISA-N 2 1 461.655 1.695 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001502352931 1070276050 /nfs/dbraw/zinc/27/60/50/1070276050.db2.gz SNKVOMFKOWUUMD-LEWJYISDSA-N 2 1 483.665 1.872 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001502352931 1070276072 /nfs/dbraw/zinc/27/60/72/1070276072.db2.gz SNKVOMFKOWUUMD-LEWJYISDSA-N 2 1 483.665 1.872 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001502352931 1070276094 /nfs/dbraw/zinc/27/60/94/1070276094.db2.gz SNKVOMFKOWUUMD-LEWJYISDSA-N 2 1 483.665 1.872 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001502352933 1070278319 /nfs/dbraw/zinc/27/83/19/1070278319.db2.gz SNKVOMFKOWUUMD-RTWAWAEBSA-N 2 1 483.665 1.872 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001502352933 1070278347 /nfs/dbraw/zinc/27/83/47/1070278347.db2.gz SNKVOMFKOWUUMD-RTWAWAEBSA-N 2 1 483.665 1.872 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001502352933 1070278370 /nfs/dbraw/zinc/27/83/70/1070278370.db2.gz SNKVOMFKOWUUMD-RTWAWAEBSA-N 2 1 483.665 1.872 20 0 JDADMP CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001502355527 1070287502 /nfs/dbraw/zinc/28/75/02/1070287502.db2.gz ZHHGHMUJHZKXBZ-FQEVSTJZSA-N 2 1 498.742 1.227 20 0 JDADMP CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001502355527 1070287548 /nfs/dbraw/zinc/28/75/48/1070287548.db2.gz ZHHGHMUJHZKXBZ-FQEVSTJZSA-N 2 1 498.742 1.227 20 0 JDADMP CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001502355527 1070287574 /nfs/dbraw/zinc/28/75/74/1070287574.db2.gz ZHHGHMUJHZKXBZ-FQEVSTJZSA-N 2 1 498.742 1.227 20 0 JDADMP CCN1CC[NH+](CCCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001502360206 1070301206 /nfs/dbraw/zinc/30/12/06/1070301206.db2.gz JUROWMMFMYSHBN-UHFFFAOYSA-N 2 1 474.698 1.348 20 0 JDADMP CCn1nc(-c2nnc(N3CC[NH+](CCOC)CC3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001502366404 1070311884 /nfs/dbraw/zinc/31/18/84/1070311884.db2.gz HJIAEQMWDKWDGZ-UHFFFAOYSA-N 2 1 482.633 1.784 20 0 JDADMP CCn1nc(-c2nnc(N3CC[NH+](CCOC)CC3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001502366404 1070311904 /nfs/dbraw/zinc/31/19/04/1070311904.db2.gz HJIAEQMWDKWDGZ-UHFFFAOYSA-N 2 1 482.633 1.784 20 0 JDADMP C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001493804761 1070351035 /nfs/dbraw/zinc/35/10/35/1070351035.db2.gz IDFXYYNIKKAMBG-PMACEKPBSA-N 2 1 497.710 1.263 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001494139100 1070431000 /nfs/dbraw/zinc/43/10/00/1070431000.db2.gz CZZSFVRKFTYGMN-HXUWFJFHSA-N 2 1 474.698 1.753 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001494139100 1070431029 /nfs/dbraw/zinc/43/10/29/1070431029.db2.gz CZZSFVRKFTYGMN-HXUWFJFHSA-N 2 1 474.698 1.753 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001494139100 1070431078 /nfs/dbraw/zinc/43/10/78/1070431078.db2.gz CZZSFVRKFTYGMN-HXUWFJFHSA-N 2 1 474.698 1.753 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001494139099 1070431433 /nfs/dbraw/zinc/43/14/33/1070431433.db2.gz CZZSFVRKFTYGMN-FQEVSTJZSA-N 2 1 474.698 1.753 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001494139099 1070431502 /nfs/dbraw/zinc/43/15/02/1070431502.db2.gz CZZSFVRKFTYGMN-FQEVSTJZSA-N 2 1 474.698 1.753 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001494139099 1070431567 /nfs/dbraw/zinc/43/15/67/1070431567.db2.gz CZZSFVRKFTYGMN-FQEVSTJZSA-N 2 1 474.698 1.753 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001494142232 1070438348 /nfs/dbraw/zinc/43/83/48/1070438348.db2.gz UJNVPXQCLUIVHQ-CTNGQTDRSA-N 2 1 461.655 1.574 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001494142232 1070438368 /nfs/dbraw/zinc/43/83/68/1070438368.db2.gz UJNVPXQCLUIVHQ-CTNGQTDRSA-N 2 1 461.655 1.574 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001494142232 1070438382 /nfs/dbraw/zinc/43/83/82/1070438382.db2.gz UJNVPXQCLUIVHQ-CTNGQTDRSA-N 2 1 461.655 1.574 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC001494518198 1070609062 /nfs/dbraw/zinc/60/90/62/1070609062.db2.gz HCJGQJDRRUWEEE-OAQYLSRUSA-N 2 1 461.655 1.936 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001494518198 1070609068 /nfs/dbraw/zinc/60/90/68/1070609068.db2.gz HCJGQJDRRUWEEE-OAQYLSRUSA-N 2 1 461.655 1.936 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001494518198 1070609074 /nfs/dbraw/zinc/60/90/74/1070609074.db2.gz HCJGQJDRRUWEEE-OAQYLSRUSA-N 2 1 461.655 1.936 20 0 JDADMP CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494520948 1070613453 /nfs/dbraw/zinc/61/34/53/1070613453.db2.gz WQLFRXGTYIGIAV-QHAWAJNXSA-N 2 1 461.655 1.644 20 0 JDADMP CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494520948 1070613470 /nfs/dbraw/zinc/61/34/70/1070613470.db2.gz WQLFRXGTYIGIAV-QHAWAJNXSA-N 2 1 461.655 1.644 20 0 JDADMP CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494520948 1070613485 /nfs/dbraw/zinc/61/34/85/1070613485.db2.gz WQLFRXGTYIGIAV-QHAWAJNXSA-N 2 1 461.655 1.644 20 0 JDADMP C[C@H]1C[N@@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001494532878 1070626161 /nfs/dbraw/zinc/62/61/61/1070626161.db2.gz ZUARHCKXRITXSC-LEWJYISDSA-N 2 1 496.722 1.992 20 0 JDADMP C[C@H]1C[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCCO1 ZINC001494532878 1070626171 /nfs/dbraw/zinc/62/61/71/1070626171.db2.gz ZUARHCKXRITXSC-LEWJYISDSA-N 2 1 496.722 1.992 20 0 JDADMP C[C@H]1C[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCCO1 ZINC001494532878 1070626175 /nfs/dbraw/zinc/62/61/75/1070626175.db2.gz ZUARHCKXRITXSC-LEWJYISDSA-N 2 1 496.722 1.992 20 0 JDADMP CCO[C@@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001502655257 1070728256 /nfs/dbraw/zinc/72/82/56/1070728256.db2.gz QMUKSYWJAXAIHD-IMSXRSKXSA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001502655257 1070728292 /nfs/dbraw/zinc/72/82/92/1070728292.db2.gz QMUKSYWJAXAIHD-IMSXRSKXSA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001502713964 1070821240 /nfs/dbraw/zinc/82/12/40/1070821240.db2.gz FIEHMYBFUVSMCU-OFNKIYASSA-N 2 1 450.628 1.429 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@H](C)C3)n2C[C@@H]2CCCC[N@H+]2CC)CCOC1 ZINC001502726632 1070838053 /nfs/dbraw/zinc/83/80/53/1070838053.db2.gz YVFMSCAYCROQJH-ZFGGDYGUSA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2C[C@@H]2CCCC[NH+]2CC)CCOC1 ZINC001502726632 1070838055 /nfs/dbraw/zinc/83/80/55/1070838055.db2.gz YVFMSCAYCROQJH-ZFGGDYGUSA-N 2 1 464.655 1.962 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2C[C@@H]2CCCC[NH+]2CC)CCOC1 ZINC001502726632 1070838057 /nfs/dbraw/zinc/83/80/57/1070838057.db2.gz YVFMSCAYCROQJH-ZFGGDYGUSA-N 2 1 464.655 1.962 20 0 JDADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001496116479 1070830962 /nfs/dbraw/zinc/83/09/62/1070830962.db2.gz ODYDBTPHHBZJPQ-OTWHNJEPSA-N 2 1 455.673 1.683 20 0 JDADMP CCO[C@@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001502725479 1070835259 /nfs/dbraw/zinc/83/52/59/1070835259.db2.gz JUWLOACFADTJIY-YKSBVNFPSA-N 2 1 496.722 1.915 20 0 JDADMP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC001504183667 1070868081 /nfs/dbraw/zinc/86/80/81/1070868081.db2.gz RHNDTFCRRYGOTP-DEOSSOPVSA-N 2 1 458.607 1.996 20 0 JDADMP CCOCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[NH+]1CCC[C@@H]1C ZINC001503029487 1070979912 /nfs/dbraw/zinc/97/99/12/1070979912.db2.gz AEGJRGSXLUFLHZ-ONTIZHBOSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001503029487 1070979969 /nfs/dbraw/zinc/97/99/69/1070979969.db2.gz AEGJRGSXLUFLHZ-ONTIZHBOSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001503029487 1070980021 /nfs/dbraw/zinc/98/00/21/1070980021.db2.gz AEGJRGSXLUFLHZ-ONTIZHBOSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033319 1070988838 /nfs/dbraw/zinc/98/88/38/1070988838.db2.gz MBCUIZIAAGAIJS-FPOVZHCZSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001503034530 1070990217 /nfs/dbraw/zinc/99/02/17/1070990217.db2.gz RJOLEWUPPXMKSF-PZJWPPBQSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001503034592 1070995436 /nfs/dbraw/zinc/99/54/36/1070995436.db2.gz SGPNAEFKBPRFJH-QPPBQGQZSA-N 2 1 483.661 1.935 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001503034592 1070995479 /nfs/dbraw/zinc/99/54/79/1070995479.db2.gz SGPNAEFKBPRFJH-QPPBQGQZSA-N 2 1 483.661 1.935 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001503034720 1070995830 /nfs/dbraw/zinc/99/58/30/1070995830.db2.gz SWWXRGSGYPEPMO-MOPGFXCFSA-N 2 1 452.669 1.799 20 0 JDADMP CCOCc1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503041603 1071003911 /nfs/dbraw/zinc/00/39/11/1071003911.db2.gz UBVSZJVMAOLCIU-NHCUHLMSSA-N 2 1 464.655 1.597 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001503099909 1071048234 /nfs/dbraw/zinc/04/82/34/1071048234.db2.gz ZOGAFYACOPUGAV-FQEVSTJZSA-N 2 1 461.655 1.822 20 0 JDADMP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001503109799 1071064596 /nfs/dbraw/zinc/06/45/96/1071064596.db2.gz PIJIVPUECKWFBK-FCHUYYIVSA-N 2 1 477.698 1.778 20 0 JDADMP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001503109799 1071064605 /nfs/dbraw/zinc/06/46/05/1071064605.db2.gz PIJIVPUECKWFBK-FCHUYYIVSA-N 2 1 477.698 1.778 20 0 JDADMP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001503109799 1071064619 /nfs/dbraw/zinc/06/46/19/1071064619.db2.gz PIJIVPUECKWFBK-FCHUYYIVSA-N 2 1 477.698 1.778 20 0 JDADMP CCOCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001503115224 1071075950 /nfs/dbraw/zinc/07/59/50/1071075950.db2.gz LFODJFYINPCJFO-NRFANRHFSA-N 2 1 464.655 1.864 20 0 JDADMP COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)c1 ZINC001504347970 1071078468 /nfs/dbraw/zinc/07/84/68/1071078468.db2.gz UMIAXINWOUBHOH-UHFFFAOYSA-N 2 1 469.634 1.896 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001503219447 1071171739 /nfs/dbraw/zinc/17/17/39/1071171739.db2.gz MTPHYKSQIMNAIR-PMACEKPBSA-N 2 1 474.654 1.725 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001503221272 1071176650 /nfs/dbraw/zinc/17/66/50/1071176650.db2.gz RCMJCFFFLXQSNO-PMACEKPBSA-N 2 1 458.611 1.393 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001503222075 1071180759 /nfs/dbraw/zinc/18/07/59/1071180759.db2.gz WOVVXPSFSJJTRC-NHCUHLMSSA-N 2 1 461.655 1.756 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001503222075 1071180780 /nfs/dbraw/zinc/18/07/80/1071180780.db2.gz WOVVXPSFSJJTRC-NHCUHLMSSA-N 2 1 461.655 1.756 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001503222586 1071182727 /nfs/dbraw/zinc/18/27/27/1071182727.db2.gz IGGJHNCJCCSQQM-UHFFFAOYSA-N 2 1 471.650 1.658 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001503223239 1071186511 /nfs/dbraw/zinc/18/65/11/1071186511.db2.gz KFBIAQWDSYNIOO-UXHICEINSA-N 2 1 495.669 1.695 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001503223223 1071186782 /nfs/dbraw/zinc/18/67/82/1071186782.db2.gz KFBIAQWDSYNIOO-PMACEKPBSA-N 2 1 495.669 1.695 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001503224507 1071191590 /nfs/dbraw/zinc/19/15/90/1071191590.db2.gz UHMSNTKGERSHSS-FGZHOGPDSA-N 2 1 478.682 1.954 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001503224508 1071192427 /nfs/dbraw/zinc/19/24/27/1071192427.db2.gz UHMSNTKGERSHSS-VXKWHMMOSA-N 2 1 478.682 1.954 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001503226156 1071195760 /nfs/dbraw/zinc/19/57/60/1071195760.db2.gz SRGJBXYMKIMDRE-RUZDIDTESA-N 2 1 472.634 1.699 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001503226156 1071195767 /nfs/dbraw/zinc/19/57/67/1071195767.db2.gz SRGJBXYMKIMDRE-RUZDIDTESA-N 2 1 472.634 1.699 20 0 JDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(N2CCC[NH+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357214 1071557452 /nfs/dbraw/zinc/55/74/52/1071557452.db2.gz HLZLTWJSPMHHEI-QFIPXVFZSA-N 2 1 499.708 1.964 20 0 JDADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCn1c(N2CCC[N@H+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357214 1071557485 /nfs/dbraw/zinc/55/74/85/1071557485.db2.gz HLZLTWJSPMHHEI-QFIPXVFZSA-N 2 1 499.708 1.964 20 0 JDADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCn1c(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357214 1071557519 /nfs/dbraw/zinc/55/75/19/1071557519.db2.gz HLZLTWJSPMHHEI-QFIPXVFZSA-N 2 1 499.708 1.964 20 0 JDADMP C[NH+](C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001503401523 1071664017 /nfs/dbraw/zinc/66/40/17/1071664017.db2.gz AZPBXFHAKRNAMT-HXUWFJFHSA-N 2 1 476.647 1.601 20 0 JDADMP C[NH+](C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001503401521 1071664124 /nfs/dbraw/zinc/66/41/24/1071664124.db2.gz AZPBXFHAKRNAMT-FQEVSTJZSA-N 2 1 476.647 1.601 20 0 JDADMP COCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504811804 1071683391 /nfs/dbraw/zinc/68/33/91/1071683391.db2.gz QOUNPDGLPKHBSO-IRLDBZIGSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[NH+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504811804 1071683396 /nfs/dbraw/zinc/68/33/96/1071683396.db2.gz QOUNPDGLPKHBSO-IRLDBZIGSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[NH+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504811804 1071683402 /nfs/dbraw/zinc/68/34/02/1071683402.db2.gz QOUNPDGLPKHBSO-IRLDBZIGSA-N 2 1 463.671 1.749 20 0 JDADMP COCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504815640 1071688737 /nfs/dbraw/zinc/68/87/37/1071688737.db2.gz CPVXUWLOKZWWFX-KSEOMHKRSA-N 2 1 477.654 1.087 20 0 JDADMP COCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504815640 1071688741 /nfs/dbraw/zinc/68/87/41/1071688741.db2.gz CPVXUWLOKZWWFX-KSEOMHKRSA-N 2 1 477.654 1.087 20 0 JDADMP COCC[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001504851942 1071752285 /nfs/dbraw/zinc/75/22/85/1071752285.db2.gz SDQBORFEKLCJFP-REWPJTCUSA-N 2 1 450.628 1.789 20 0 JDADMP COCC[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001504851942 1071752296 /nfs/dbraw/zinc/75/22/96/1071752296.db2.gz SDQBORFEKLCJFP-REWPJTCUSA-N 2 1 450.628 1.789 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504850524 1071748369 /nfs/dbraw/zinc/74/83/69/1071748369.db2.gz GNDYXNLNHBNLIK-OFNKIYASSA-N 2 1 499.664 1.082 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504850524 1071748381 /nfs/dbraw/zinc/74/83/81/1071748381.db2.gz GNDYXNLNHBNLIK-OFNKIYASSA-N 2 1 499.664 1.082 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504850524 1071748390 /nfs/dbraw/zinc/74/83/90/1071748390.db2.gz GNDYXNLNHBNLIK-OFNKIYASSA-N 2 1 499.664 1.082 20 0 JDADMP COCC[N@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001504851939 1071752693 /nfs/dbraw/zinc/75/26/93/1071752693.db2.gz SDQBORFEKLCJFP-NFBKMPQASA-N 2 1 450.628 1.789 20 0 JDADMP COCC[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001504851939 1071752704 /nfs/dbraw/zinc/75/27/04/1071752704.db2.gz SDQBORFEKLCJFP-NFBKMPQASA-N 2 1 450.628 1.789 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001504851320 1071750267 /nfs/dbraw/zinc/75/02/67/1071750267.db2.gz LDUNXSUNRMRJOU-OAQYLSRUSA-N 2 1 470.622 1.051 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001504851320 1071750280 /nfs/dbraw/zinc/75/02/80/1071750280.db2.gz LDUNXSUNRMRJOU-OAQYLSRUSA-N 2 1 470.622 1.051 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001504851320 1071750294 /nfs/dbraw/zinc/75/02/94/1071750294.db2.gz LDUNXSUNRMRJOU-OAQYLSRUSA-N 2 1 470.622 1.051 20 0 JDADMP COCC[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504852273 1071754320 /nfs/dbraw/zinc/75/43/20/1071754320.db2.gz TZGOXKBTNZHYFM-OFNKIYASSA-N 2 1 486.665 1.241 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504852273 1071754326 /nfs/dbraw/zinc/75/43/26/1071754326.db2.gz TZGOXKBTNZHYFM-OFNKIYASSA-N 2 1 486.665 1.241 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001504855606 1071767253 /nfs/dbraw/zinc/76/72/53/1071767253.db2.gz SDGNUBGJAWCQHZ-IBGZPJMESA-N 2 1 479.423 1.807 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001504855606 1071767259 /nfs/dbraw/zinc/76/72/59/1071767259.db2.gz SDGNUBGJAWCQHZ-IBGZPJMESA-N 2 1 479.423 1.807 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001504855606 1071767268 /nfs/dbraw/zinc/76/72/68/1071767268.db2.gz SDGNUBGJAWCQHZ-IBGZPJMESA-N 2 1 479.423 1.807 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001504855606 1071767279 /nfs/dbraw/zinc/76/72/79/1071767279.db2.gz SDGNUBGJAWCQHZ-IBGZPJMESA-N 2 1 479.423 1.807 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001504855673 1071767404 /nfs/dbraw/zinc/76/74/04/1071767404.db2.gz LZZWPMMPAAFBAA-UHFFFAOYSA-N 2 1 470.666 1.913 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001504855673 1071767427 /nfs/dbraw/zinc/76/74/27/1071767427.db2.gz LZZWPMMPAAFBAA-UHFFFAOYSA-N 2 1 470.666 1.913 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001504855673 1071767446 /nfs/dbraw/zinc/76/74/46/1071767446.db2.gz LZZWPMMPAAFBAA-UHFFFAOYSA-N 2 1 470.666 1.913 20 0 JDADMP COCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001504856438 1071770769 /nfs/dbraw/zinc/77/07/69/1071770769.db2.gz ZVBLEOKSGFVKAI-LJQANCHMSA-N 2 1 486.621 1.193 20 0 JDADMP COCC[NH+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001504856438 1071770781 /nfs/dbraw/zinc/77/07/81/1071770781.db2.gz ZVBLEOKSGFVKAI-LJQANCHMSA-N 2 1 486.621 1.193 20 0 JDADMP COCC[NH+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001504856438 1071770791 /nfs/dbraw/zinc/77/07/91/1071770791.db2.gz ZVBLEOKSGFVKAI-LJQANCHMSA-N 2 1 486.621 1.193 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001504857777 1071779119 /nfs/dbraw/zinc/77/91/19/1071779119.db2.gz RSXIGBXAPZNWKZ-UHFFFAOYSA-N 2 1 454.579 1.703 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001504904437 1071843898 /nfs/dbraw/zinc/84/38/98/1071843898.db2.gz OFJZMTRLVXBKJV-LJQANCHMSA-N 2 1 456.595 1.426 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001504906758 1071851703 /nfs/dbraw/zinc/85/17/03/1071851703.db2.gz PGGHRAKNHLKADM-UHFFFAOYSA-N 2 1 477.654 1.172 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001504908019 1071856653 /nfs/dbraw/zinc/85/66/53/1071856653.db2.gz XYEJTEDFHCVVFX-NRFANRHFSA-N 2 1 461.655 1.793 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001504908020 1071856724 /nfs/dbraw/zinc/85/67/24/1071856724.db2.gz XYEJTEDFHCVVFX-OAQYLSRUSA-N 2 1 461.655 1.793 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001504909996 1071863307 /nfs/dbraw/zinc/86/33/07/1071863307.db2.gz JNUXLKKGVHIINO-OYDLWJJNSA-N 2 1 496.722 1.913 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001504914707 1071875455 /nfs/dbraw/zinc/87/54/55/1071875455.db2.gz PTWQRVCQLQDCNQ-SFTDATJTSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001504914707 1071875457 /nfs/dbraw/zinc/87/54/57/1071875457.db2.gz PTWQRVCQLQDCNQ-SFTDATJTSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001504914707 1071875461 /nfs/dbraw/zinc/87/54/61/1071875461.db2.gz PTWQRVCQLQDCNQ-SFTDATJTSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001504914697 1071875504 /nfs/dbraw/zinc/87/55/04/1071875504.db2.gz PTWQRVCQLQDCNQ-LEWJYISDSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001504914697 1071875507 /nfs/dbraw/zinc/87/55/07/1071875507.db2.gz PTWQRVCQLQDCNQ-LEWJYISDSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001504914697 1071875512 /nfs/dbraw/zinc/87/55/12/1071875512.db2.gz PTWQRVCQLQDCNQ-LEWJYISDSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001504914737 1071876093 /nfs/dbraw/zinc/87/60/93/1071876093.db2.gz QEMRNNQWAWXQJG-LJQANCHMSA-N 2 1 452.607 1.945 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504917196 1071883106 /nfs/dbraw/zinc/88/31/06/1071883106.db2.gz OSTAONKUUSUHFL-JTHBVZDNSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504917196 1071883114 /nfs/dbraw/zinc/88/31/14/1071883114.db2.gz OSTAONKUUSUHFL-JTHBVZDNSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504917196 1071883119 /nfs/dbraw/zinc/88/31/19/1071883119.db2.gz OSTAONKUUSUHFL-JTHBVZDNSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504915876 1071878695 /nfs/dbraw/zinc/87/86/95/1071878695.db2.gz OWHCICMGIWXRGY-HKBOAZHASA-N 2 1 457.623 1.996 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001504916002 1071879229 /nfs/dbraw/zinc/87/92/29/1071879229.db2.gz PKLQLGGDKCDPNG-IFMALSPDSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001504916002 1071879237 /nfs/dbraw/zinc/87/92/37/1071879237.db2.gz PKLQLGGDKCDPNG-IFMALSPDSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001504916002 1071879241 /nfs/dbraw/zinc/87/92/41/1071879241.db2.gz PKLQLGGDKCDPNG-IFMALSPDSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504916288 1071880156 /nfs/dbraw/zinc/88/01/56/1071880156.db2.gz FESJIPZMCTYHTE-UFYCRDLUSA-N 2 1 472.638 1.780 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001504921349 1071895429 /nfs/dbraw/zinc/89/54/29/1071895429.db2.gz WMAYPMCFFCMMIW-UXHICEINSA-N 2 1 450.628 1.174 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001504921948 1071896984 /nfs/dbraw/zinc/89/69/84/1071896984.db2.gz ATUIMWWKHFIHCD-UHFFFAOYSA-N 2 1 456.639 1.058 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001504921948 1071896990 /nfs/dbraw/zinc/89/69/90/1071896990.db2.gz ATUIMWWKHFIHCD-UHFFFAOYSA-N 2 1 456.639 1.058 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001504924134 1071905877 /nfs/dbraw/zinc/90/58/77/1071905877.db2.gz ODRIQHOWJCQYLN-NRFANRHFSA-N 2 1 473.597 1.611 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H]2C)C[C@@H]1C ZINC001504924712 1071909698 /nfs/dbraw/zinc/90/96/98/1071909698.db2.gz FFPGOOCCRZWWJL-OALUTQOASA-N 2 1 475.663 1.911 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001504924712 1071909704 /nfs/dbraw/zinc/90/97/04/1071909704.db2.gz FFPGOOCCRZWWJL-OALUTQOASA-N 2 1 475.663 1.911 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001504924712 1071909714 /nfs/dbraw/zinc/90/97/14/1071909714.db2.gz FFPGOOCCRZWWJL-OALUTQOASA-N 2 1 475.663 1.911 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001504946782 1071990046 /nfs/dbraw/zinc/99/00/46/1071990046.db2.gz QUQFHLXRUQZMHC-BDTNDASRSA-N 2 1 494.681 1.394 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001504949680 1071994573 /nfs/dbraw/zinc/99/45/73/1071994573.db2.gz IUHLDBIAWPXHQU-ZCNNSNEGSA-N 2 1 450.628 1.786 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[NH+]1CCCCC1 ZINC001504957523 1072001327 /nfs/dbraw/zinc/00/13/27/1072001327.db2.gz KRVFSVQQGFGLPV-OFNKIYASSA-N 2 1 450.628 1.789 20 0 JDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCOC(C)(C)C2)CC1 ZINC001503684111 1072017092 /nfs/dbraw/zinc/01/70/92/1072017092.db2.gz YKAKCOSBWAXRLG-LJQANCHMSA-N 2 1 461.655 1.429 20 0 JDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCOC(C)(C)C2)CC1 ZINC001503684111 1072017103 /nfs/dbraw/zinc/01/71/03/1072017103.db2.gz YKAKCOSBWAXRLG-LJQANCHMSA-N 2 1 461.655 1.429 20 0 JDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001503684111 1072017121 /nfs/dbraw/zinc/01/71/21/1072017121.db2.gz YKAKCOSBWAXRLG-LJQANCHMSA-N 2 1 461.655 1.429 20 0 JDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001503684111 1072017129 /nfs/dbraw/zinc/01/71/29/1072017129.db2.gz YKAKCOSBWAXRLG-LJQANCHMSA-N 2 1 461.655 1.429 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001505002023 1072081715 /nfs/dbraw/zinc/08/17/15/1072081715.db2.gz YHLGBCLJOFPXKX-VSKRKVRLSA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001505002023 1072081722 /nfs/dbraw/zinc/08/17/22/1072081722.db2.gz YHLGBCLJOFPXKX-VSKRKVRLSA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001505002023 1072081731 /nfs/dbraw/zinc/08/17/31/1072081731.db2.gz YHLGBCLJOFPXKX-VSKRKVRLSA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001505002023 1072081740 /nfs/dbraw/zinc/08/17/40/1072081740.db2.gz YHLGBCLJOFPXKX-VSKRKVRLSA-N 2 1 464.655 1.891 20 0 JDADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001505079020 1072195160 /nfs/dbraw/zinc/19/51/60/1072195160.db2.gz QZLKDXIFNGMLEN-SFTDATJTSA-N 2 1 450.628 1.645 20 0 JDADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001505079020 1072195166 /nfs/dbraw/zinc/19/51/66/1072195166.db2.gz QZLKDXIFNGMLEN-SFTDATJTSA-N 2 1 450.628 1.645 20 0 JDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CNS(=O)(=O)c1ccccc1F ZINC001465616100 1067815021 /nfs/dbraw/zinc/81/50/21/1067815021.db2.gz OJSQLKDZVJXVGZ-UHFFFAOYSA-N 2 1 454.612 1.759 20 0 JDADMP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC001466171632 1067867041 /nfs/dbraw/zinc/86/70/41/1067867041.db2.gz WVCZIIRSYGIDEB-PKTZIBPZSA-N 2 1 458.603 1.662 20 0 JDADMP O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001467726468 1068057384 /nfs/dbraw/zinc/05/73/84/1068057384.db2.gz VTCVUCORYBBYLH-HXUWFJFHSA-N 2 1 455.525 1.678 20 0 JDADMP O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001467726468 1068057402 /nfs/dbraw/zinc/05/74/02/1068057402.db2.gz VTCVUCORYBBYLH-HXUWFJFHSA-N 2 1 455.525 1.678 20 0 JDADMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001467877329 1068081777 /nfs/dbraw/zinc/08/17/77/1068081777.db2.gz QYAPOZHURBNNLP-JOCHJYFZSA-N 2 1 457.619 1.859 20 0 JDADMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3CO)cn2)CC1 ZINC001467905690 1068090703 /nfs/dbraw/zinc/09/07/03/1068090703.db2.gz ASNAXBJRPGDADX-PKTZIBPZSA-N 2 1 452.603 1.516 20 0 JDADMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CO)cn2)CC1 ZINC001467905687 1068091027 /nfs/dbraw/zinc/09/10/27/1068091027.db2.gz ASNAXBJRPGDADX-GOTSBHOMSA-N 2 1 452.603 1.516 20 0 JDADMP COCC[NH+]1CCC(NC(=O)N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001468280019 1068220556 /nfs/dbraw/zinc/22/05/56/1068220556.db2.gz OVYGRVZUKPQKMO-UHFFFAOYSA-N 2 1 459.635 1.767 20 0 JDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001468453200 1068282077 /nfs/dbraw/zinc/28/20/77/1068282077.db2.gz QPKADALPGLJDHD-QGZVFWFLSA-N 2 1 451.534 1.225 20 0 JDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001468453200 1068282111 /nfs/dbraw/zinc/28/21/11/1068282111.db2.gz QPKADALPGLJDHD-QGZVFWFLSA-N 2 1 451.534 1.225 20 0 JDADMP CN1CC[NH+](Cc2cccc(CNC(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)c2)CC1 ZINC001468581822 1068317786 /nfs/dbraw/zinc/31/77/86/1068317786.db2.gz KMOQOSVLBINIFY-UHFFFAOYSA-N 2 1 456.635 1.449 20 0 JDADMP CC[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001469249525 1068475858 /nfs/dbraw/zinc/47/58/58/1068475858.db2.gz QFWVXJNDGKOWMD-DHIUTWEWSA-N 2 1 457.619 1.616 20 0 JDADMP CC[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001469249525 1068475868 /nfs/dbraw/zinc/47/58/68/1068475868.db2.gz QFWVXJNDGKOWMD-DHIUTWEWSA-N 2 1 457.619 1.616 20 0 JDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001469579650 1068551884 /nfs/dbraw/zinc/55/18/84/1068551884.db2.gz NIHICLFGSKJHDI-QHCPKHFHSA-N 2 1 457.619 1.652 20 0 JDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936754 1068824855 /nfs/dbraw/zinc/82/48/55/1068824855.db2.gz ULSGMUGYQFZFCQ-AZGAKELHSA-N 2 1 451.615 1.739 20 0 JDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936754 1068824858 /nfs/dbraw/zinc/82/48/58/1068824858.db2.gz ULSGMUGYQFZFCQ-AZGAKELHSA-N 2 1 451.615 1.739 20 0 JDADMP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001470936754 1068824862 /nfs/dbraw/zinc/82/48/62/1068824862.db2.gz ULSGMUGYQFZFCQ-AZGAKELHSA-N 2 1 451.615 1.739 20 0 JDADMP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001470936754 1068824866 /nfs/dbraw/zinc/82/48/66/1068824866.db2.gz ULSGMUGYQFZFCQ-AZGAKELHSA-N 2 1 451.615 1.739 20 0 JDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936752 1068825053 /nfs/dbraw/zinc/82/50/53/1068825053.db2.gz ULSGMUGYQFZFCQ-AHWVRZQESA-N 2 1 451.615 1.739 20 0 JDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936752 1068825057 /nfs/dbraw/zinc/82/50/57/1068825057.db2.gz ULSGMUGYQFZFCQ-AHWVRZQESA-N 2 1 451.615 1.739 20 0 JDADMP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001470936752 1068825059 /nfs/dbraw/zinc/82/50/59/1068825059.db2.gz ULSGMUGYQFZFCQ-AHWVRZQESA-N 2 1 451.615 1.739 20 0 JDADMP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001470936752 1068825060 /nfs/dbraw/zinc/82/50/60/1068825060.db2.gz ULSGMUGYQFZFCQ-AHWVRZQESA-N 2 1 451.615 1.739 20 0 JDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)C[C@H]1C[NH+](C)C ZINC001471109700 1068836640 /nfs/dbraw/zinc/83/66/40/1068836640.db2.gz XNCRMHIZBZDIGY-WOJBJXKFSA-N 2 1 474.627 1.682 20 0 JDADMP CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC001499642512 1069023795 /nfs/dbraw/zinc/02/37/95/1069023795.db2.gz NZXYKERRYMLHTH-LJQANCHMSA-N 2 1 481.711 1.791 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499719947 1069049829 /nfs/dbraw/zinc/04/98/29/1069049829.db2.gz RAARICJAPJKEIT-IBGZPJMESA-N 2 1 458.611 1.393 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499719947 1069049830 /nfs/dbraw/zinc/04/98/30/1069049830.db2.gz RAARICJAPJKEIT-IBGZPJMESA-N 2 1 458.611 1.393 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1CCOC ZINC001499721111 1069050520 /nfs/dbraw/zinc/05/05/20/1069050520.db2.gz BOMDJSXSDMWDSF-NCYKPQTJSA-N 2 1 491.681 1.664 20 0 JDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCOCCN3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC001473162740 1069086002 /nfs/dbraw/zinc/08/60/02/1069086002.db2.gz HDNWJURYDPBZRY-UHFFFAOYSA-N 2 1 456.587 1.565 20 0 JDADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001473197759 1069092444 /nfs/dbraw/zinc/09/24/44/1069092444.db2.gz ASZNZNKCMGAELO-UHFFFAOYSA-N 2 1 458.603 1.352 20 0 JDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CC1 ZINC001473400658 1069139539 /nfs/dbraw/zinc/13/95/39/1069139539.db2.gz SGKSZCFUPYWMAR-NRFANRHFSA-N 2 1 451.656 1.946 20 0 JDADMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1)c1ccccc1 ZINC001473680221 1069208576 /nfs/dbraw/zinc/20/85/76/1069208576.db2.gz NRTUUQYZTQHYNK-JOCHJYFZSA-N 2 1 452.603 1.912 20 0 JDADMP CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCC[C@H]2C)CC[N@H+]1CCOC ZINC001500223871 1069217482 /nfs/dbraw/zinc/21/74/82/1069217482.db2.gz NTAUPZLUNCQSGH-RTWAWAEBSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@H]2C)CC[NH+]1CCOC ZINC001500223871 1069217496 /nfs/dbraw/zinc/21/74/96/1069217496.db2.gz NTAUPZLUNCQSGH-RTWAWAEBSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@H]2C)CC[NH+]1CCOC ZINC001500223871 1069217508 /nfs/dbraw/zinc/21/75/08/1069217508.db2.gz NTAUPZLUNCQSGH-RTWAWAEBSA-N 2 1 461.655 1.936 20 0 JDADMP CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001500415810 1069248421 /nfs/dbraw/zinc/24/84/21/1069248421.db2.gz SAXJRHRLWMQXBH-NRFANRHFSA-N 2 1 461.655 1.996 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCO[C@H](C)C2)C1 ZINC001500716780 1069302202 /nfs/dbraw/zinc/30/22/02/1069302202.db2.gz MXRJPMUQFKLDQF-QHAWAJNXSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001500716780 1069302219 /nfs/dbraw/zinc/30/22/19/1069302219.db2.gz MXRJPMUQFKLDQF-QHAWAJNXSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001500716780 1069302235 /nfs/dbraw/zinc/30/22/35/1069302235.db2.gz MXRJPMUQFKLDQF-QHAWAJNXSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC001500720135 1069302641 /nfs/dbraw/zinc/30/26/41/1069302641.db2.gz CQPAJCLTJGRZLS-FKBYEOEOSA-N 2 1 496.722 1.849 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001500720135 1069302656 /nfs/dbraw/zinc/30/26/56/1069302656.db2.gz CQPAJCLTJGRZLS-FKBYEOEOSA-N 2 1 496.722 1.849 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001500720135 1069302670 /nfs/dbraw/zinc/30/26/70/1069302670.db2.gz CQPAJCLTJGRZLS-FKBYEOEOSA-N 2 1 496.722 1.849 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001500726051 1069305789 /nfs/dbraw/zinc/30/57/89/1069305789.db2.gz TVQVVBSPARQWNC-NRFANRHFSA-N 2 1 475.682 1.804 20 0 JDADMP CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001500773242 1069308911 /nfs/dbraw/zinc/30/89/11/1069308911.db2.gz XTSRFPPZVDGYDR-UHFFFAOYSA-N 2 1 461.655 1.795 20 0 JDADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001505277968 1072448044 /nfs/dbraw/zinc/44/80/44/1072448044.db2.gz PZNJDCURCSEVIN-MOPGFXCFSA-N 2 1 482.695 1.458 20 0 JDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001505277968 1072448051 /nfs/dbraw/zinc/44/80/51/1072448051.db2.gz PZNJDCURCSEVIN-MOPGFXCFSA-N 2 1 482.695 1.458 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001505289919 1072474555 /nfs/dbraw/zinc/47/45/55/1072474555.db2.gz RHUBHMDKFRYFBZ-OYRHEFFESA-N 2 1 461.655 1.822 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001505289919 1072474558 /nfs/dbraw/zinc/47/45/58/1072474558.db2.gz RHUBHMDKFRYFBZ-OYRHEFFESA-N 2 1 461.655 1.822 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC001505290269 1072475887 /nfs/dbraw/zinc/47/58/87/1072475887.db2.gz NTDBLTPQEQBXNC-JQVVWYNYSA-N 2 1 469.634 1.885 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC001505290269 1072475893 /nfs/dbraw/zinc/47/58/93/1072475893.db2.gz NTDBLTPQEQBXNC-JQVVWYNYSA-N 2 1 469.634 1.885 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001505291769 1072477321 /nfs/dbraw/zinc/47/73/21/1072477321.db2.gz YNAIDEHQBWDBGM-YDIMBITNSA-N 2 1 476.597 1.608 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001505291769 1072477322 /nfs/dbraw/zinc/47/73/22/1072477322.db2.gz YNAIDEHQBWDBGM-YDIMBITNSA-N 2 1 476.597 1.608 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C)O1 ZINC001505291769 1072477324 /nfs/dbraw/zinc/47/73/24/1072477324.db2.gz YNAIDEHQBWDBGM-YDIMBITNSA-N 2 1 476.597 1.608 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001505291769 1072477330 /nfs/dbraw/zinc/47/73/30/1072477330.db2.gz YNAIDEHQBWDBGM-YDIMBITNSA-N 2 1 476.597 1.608 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508231806 1072997522 /nfs/dbraw/zinc/99/75/22/1072997522.db2.gz IWTTYZHJWJJBIT-XFGYDDDFSA-N 2 1 475.682 1.853 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508231806 1072997534 /nfs/dbraw/zinc/99/75/34/1072997534.db2.gz IWTTYZHJWJJBIT-XFGYDDDFSA-N 2 1 475.682 1.853 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508231806 1072997548 /nfs/dbraw/zinc/99/75/48/1072997548.db2.gz IWTTYZHJWJJBIT-XFGYDDDFSA-N 2 1 475.682 1.853 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C[C@H]2C)CC1 ZINC001508231805 1072997792 /nfs/dbraw/zinc/99/77/92/1072997792.db2.gz IWTTYZHJWJJBIT-QTDGGUCWSA-N 2 1 475.682 1.853 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]2C)CC1 ZINC001508233667 1073002062 /nfs/dbraw/zinc/00/20/62/1073002062.db2.gz RCMDSPZMLKVIJX-CJFMBICVSA-N 2 1 483.661 1.954 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)C[C@H]2C)CC1 ZINC001508266289 1073031815 /nfs/dbraw/zinc/03/18/15/1073031815.db2.gz ATQAJVHJKBKQAJ-BESBDSHLSA-N 2 1 475.682 1.890 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001508267400 1073034332 /nfs/dbraw/zinc/03/43/32/1073034332.db2.gz DHIGTQNOXQQZSI-ILWGZMRPSA-N 2 1 490.697 1.381 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001508275402 1073046232 /nfs/dbraw/zinc/04/62/32/1073046232.db2.gz TVGKLDLZFSPEOC-ACIOBRDBSA-N 2 1 475.682 1.890 20 0 JDADMP CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001509410115 1073589118 /nfs/dbraw/zinc/58/91/18/1073589118.db2.gz ZUBMGXLQWPOFFF-FGZHOGPDSA-N 2 1 475.682 1.943 20 0 JDADMP CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001509410117 1073589261 /nfs/dbraw/zinc/58/92/61/1073589261.db2.gz ZUBMGXLQWPOFFF-YADHBBJMSA-N 2 1 475.682 1.943 20 0 JDADMP CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001509431944 1073609593 /nfs/dbraw/zinc/60/95/93/1073609593.db2.gz GBWJNSNIKGOBPP-PMACEKPBSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001509431944 1073609604 /nfs/dbraw/zinc/60/96/04/1073609604.db2.gz GBWJNSNIKGOBPP-PMACEKPBSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001509431944 1073609618 /nfs/dbraw/zinc/60/96/18/1073609618.db2.gz GBWJNSNIKGOBPP-PMACEKPBSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001509513998 1073659086 /nfs/dbraw/zinc/65/90/86/1073659086.db2.gz OBYOIZVUWUWRMJ-VSKRKVRLSA-N 2 1 474.698 1.954 20 0 JDADMP CC(C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001509526636 1073667249 /nfs/dbraw/zinc/66/72/49/1073667249.db2.gz IXSIOXVLBPSWOO-UHFFFAOYSA-N 2 1 468.650 1.739 20 0 JDADMP CC(C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001509526636 1073667258 /nfs/dbraw/zinc/66/72/58/1073667258.db2.gz IXSIOXVLBPSWOO-UHFFFAOYSA-N 2 1 468.650 1.739 20 0 JDADMP CC(C)[NH+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001509526636 1073667269 /nfs/dbraw/zinc/66/72/69/1073667269.db2.gz IXSIOXVLBPSWOO-UHFFFAOYSA-N 2 1 468.650 1.739 20 0 JDADMP CC(C)[NH+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001509526636 1073667279 /nfs/dbraw/zinc/66/72/79/1073667279.db2.gz IXSIOXVLBPSWOO-UHFFFAOYSA-N 2 1 468.650 1.739 20 0 JDADMP CC(C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001509528443 1073669303 /nfs/dbraw/zinc/66/93/03/1073669303.db2.gz YWCVUUDLPGBNND-UHFFFAOYSA-N 2 1 457.627 1.153 20 0 JDADMP CC(C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001509528443 1073669321 /nfs/dbraw/zinc/66/93/21/1073669321.db2.gz YWCVUUDLPGBNND-UHFFFAOYSA-N 2 1 457.627 1.153 20 0 JDADMP CC(C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001509528443 1073669334 /nfs/dbraw/zinc/66/93/34/1073669334.db2.gz YWCVUUDLPGBNND-UHFFFAOYSA-N 2 1 457.627 1.153 20 0 JDADMP CC(C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001509528443 1073669357 /nfs/dbraw/zinc/66/93/57/1073669357.db2.gz YWCVUUDLPGBNND-UHFFFAOYSA-N 2 1 457.627 1.153 20 0 JDADMP CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC001509547321 1073673444 /nfs/dbraw/zinc/67/34/44/1073673444.db2.gz IVCHMRQXDWVDDM-VWLOTQADSA-N 2 1 461.699 1.928 20 0 JDADMP CC(C)[NH+]1CCC(O)(Cn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001509552724 1073676796 /nfs/dbraw/zinc/67/67/96/1073676796.db2.gz CJEBGBMGSMWJIL-UHFFFAOYSA-N 2 1 472.638 1.517 20 0 JDADMP CC(C)[NH+]1CCC(O)(Cn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001509552724 1073676803 /nfs/dbraw/zinc/67/68/03/1073676803.db2.gz CJEBGBMGSMWJIL-UHFFFAOYSA-N 2 1 472.638 1.517 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561297 1073682737 /nfs/dbraw/zinc/68/27/37/1073682737.db2.gz RAEBAGOMRVMXNG-PMACEKPBSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561297 1073682746 /nfs/dbraw/zinc/68/27/46/1073682746.db2.gz RAEBAGOMRVMXNG-PMACEKPBSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561297 1073682755 /nfs/dbraw/zinc/68/27/55/1073682755.db2.gz RAEBAGOMRVMXNG-PMACEKPBSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOCC[NH+](C)C)CC1 ZINC001509560306 1073682988 /nfs/dbraw/zinc/68/29/88/1073682988.db2.gz KIEGDDZXSJEXBQ-UHFFFAOYSA-N 2 1 482.633 1.691 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CC1 ZINC001509562234 1073683840 /nfs/dbraw/zinc/68/38/40/1073683840.db2.gz WXUCCRFDCPSDIS-FQEVSTJZSA-N 2 1 483.683 1.017 20 0 JDADMP CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001509575270 1073692027 /nfs/dbraw/zinc/69/20/27/1073692027.db2.gz SDXOICWETOWUFH-UHFFFAOYSA-N 2 1 456.595 1.568 20 0 JDADMP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001509582366 1073705819 /nfs/dbraw/zinc/70/58/19/1073705819.db2.gz RBUKSWCEUMTJDJ-UHFFFAOYSA-N 2 1 488.706 1.826 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001509615741 1073738813 /nfs/dbraw/zinc/73/88/13/1073738813.db2.gz JJNFEMNSMIZMQB-REWPJTCUSA-N 2 1 499.660 1.562 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164405554 718863633 /nfs/dbraw/zinc/86/36/33/718863633.db2.gz FAQFRKXNZDHNEC-NQIIRXRSSA-N 2 1 487.674 1.090 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164405553 718863666 /nfs/dbraw/zinc/86/36/66/718863666.db2.gz FAQFRKXNZDHNEC-GHTZIAJQSA-N 2 1 487.674 1.090 20 0 JDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164425824 718915007 /nfs/dbraw/zinc/91/50/07/718915007.db2.gz VOWCNNJRSIWRTD-UQBPGWFLSA-N 2 1 475.634 1.466 20 0 JDADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164713389 720173484 /nfs/dbraw/zinc/17/34/84/720173484.db2.gz JSXVFNTVLPFRKB-KRWDZBQOSA-N 2 1 454.535 1.479 20 0 JDADMP Cc1nc(CN2CCN(C)C3(CCN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)CC3)C2=O)cs1 ZINC001164819295 720375016 /nfs/dbraw/zinc/37/50/16/720375016.db2.gz BDIHUCSUNLGNEW-UHFFFAOYSA-N 2 1 470.647 1.482 20 0 JDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@@H]21 ZINC001164839425 720507711 /nfs/dbraw/zinc/50/77/11/720507711.db2.gz UECDPTZAWXXVQQ-WFXMLNOXSA-N 2 1 473.647 1.143 20 0 JDADMP O=C(c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CC[NH2+]CC1 ZINC001164746649 720837432 /nfs/dbraw/zinc/83/74/32/720837432.db2.gz PVLFJCIDCVJPJC-JAXLGGSGSA-N 2 1 450.591 1.098 20 0 JDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748773 720854622 /nfs/dbraw/zinc/85/46/22/720854622.db2.gz MCUNRAOAVIYFOH-BHIFYINESA-N 2 1 452.607 1.826 20 0 JDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC2)C1 ZINC001164868995 721268294 /nfs/dbraw/zinc/26/82/94/721268294.db2.gz IPGLQZOVEKAUMO-UHFFFAOYSA-N 2 1 451.015 1.604 20 0 JDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164786748 721451545 /nfs/dbraw/zinc/45/15/45/721451545.db2.gz NKELXNIUMGKIIK-QFIPXVFZSA-N 2 1 458.651 1.962 20 0 JDADMP CC(C)N(c1ccnc(N2CC[NH+](C)CC2)n1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001164998932 722220617 /nfs/dbraw/zinc/22/06/17/722220617.db2.gz NEKPGAWHYXNFOY-UHFFFAOYSA-N 2 1 478.645 1.998 20 0 JDADMP CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001500784031 1069310833 /nfs/dbraw/zinc/31/08/33/1069310833.db2.gz IZTSLQYECDPRMT-DENIHFKCSA-N 2 1 469.638 1.456 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001500784031 1069310855 /nfs/dbraw/zinc/31/08/55/1069310855.db2.gz IZTSLQYECDPRMT-DENIHFKCSA-N 2 1 469.638 1.456 20 0 JDADMP CCC[NH+]1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001500921334 1069330573 /nfs/dbraw/zinc/33/05/73/1069330573.db2.gz IGJIAPMPTBNSSL-LJQANCHMSA-N 2 1 469.700 1.931 20 0 JDADMP CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC001500921967 1069330665 /nfs/dbraw/zinc/33/06/65/1069330665.db2.gz MMDIIEUXVBXXEP-WSTZPKSXSA-N 2 1 467.684 1.683 20 0 JDADMP CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC001500921964 1069330834 /nfs/dbraw/zinc/33/08/34/1069330834.db2.gz MMDIIEUXVBXXEP-BJLQDIEVSA-N 2 1 467.684 1.683 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001500964409 1069341448 /nfs/dbraw/zinc/34/14/48/1069341448.db2.gz OWBJTFONLRUKGA-GOSISDBHSA-N 2 1 453.657 1.461 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001500964104 1069341836 /nfs/dbraw/zinc/34/18/36/1069341836.db2.gz LHAJQNWYSDUJHE-GOSISDBHSA-N 2 1 485.699 1.310 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001500964104 1069341848 /nfs/dbraw/zinc/34/18/48/1069341848.db2.gz LHAJQNWYSDUJHE-GOSISDBHSA-N 2 1 485.699 1.310 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001500983761 1069344936 /nfs/dbraw/zinc/34/49/36/1069344936.db2.gz PSKBDRQQDCRGNZ-NRFANRHFSA-N 2 1 474.698 1.737 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001501037878 1069367343 /nfs/dbraw/zinc/36/73/43/1069367343.db2.gz QDPJBLJKHFJSMO-NRFANRHFSA-N 2 1 461.655 1.839 20 0 JDADMP CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001501040624 1069368877 /nfs/dbraw/zinc/36/88/77/1069368877.db2.gz LBDKGXMNKGHPSI-XQBPLPMBSA-N 2 1 483.683 1.064 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001501040624 1069368880 /nfs/dbraw/zinc/36/88/80/1069368880.db2.gz LBDKGXMNKGHPSI-XQBPLPMBSA-N 2 1 483.683 1.064 20 0 JDADMP CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001501052857 1069370081 /nfs/dbraw/zinc/37/00/81/1069370081.db2.gz AGNZAKXQYSFGBG-PMACEKPBSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001501052857 1069370088 /nfs/dbraw/zinc/37/00/88/1069370088.db2.gz AGNZAKXQYSFGBG-PMACEKPBSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001501064503 1069372781 /nfs/dbraw/zinc/37/27/81/1069372781.db2.gz WSFDNPCTNJSTHY-HBMCJLEFSA-N 2 1 461.655 1.820 20 0 JDADMP CCC[N@@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001501064503 1069372790 /nfs/dbraw/zinc/37/27/90/1069372790.db2.gz WSFDNPCTNJSTHY-HBMCJLEFSA-N 2 1 461.655 1.820 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001501064503 1069372805 /nfs/dbraw/zinc/37/28/05/1069372805.db2.gz WSFDNPCTNJSTHY-HBMCJLEFSA-N 2 1 461.655 1.820 20 0 JDADMP CCC[NH+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001501064503 1069372821 /nfs/dbraw/zinc/37/28/21/1069372821.db2.gz WSFDNPCTNJSTHY-HBMCJLEFSA-N 2 1 461.655 1.820 20 0 JDADMP CCC[NH+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001501064503 1069372838 /nfs/dbraw/zinc/37/28/38/1069372838.db2.gz WSFDNPCTNJSTHY-HBMCJLEFSA-N 2 1 461.655 1.820 20 0 JDADMP C[NH+]1CCN(CCNS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC001475199001 1069393440 /nfs/dbraw/zinc/39/34/40/1069393440.db2.gz VRIFXRSWNYWAOZ-BJKOFHAPSA-N 2 1 460.619 1.961 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001501774713 1069637793 /nfs/dbraw/zinc/63/77/93/1069637793.db2.gz KYYMVKAQIHRQOA-FQEVSTJZSA-N 2 1 488.681 1.484 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001501774713 1069637814 /nfs/dbraw/zinc/63/78/14/1069637814.db2.gz KYYMVKAQIHRQOA-FQEVSTJZSA-N 2 1 488.681 1.484 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001501775207 1069642700 /nfs/dbraw/zinc/64/27/00/1069642700.db2.gz RDTSZXIYZWACMX-NHCUHLMSSA-N 2 1 461.655 1.503 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001501775207 1069642722 /nfs/dbraw/zinc/64/27/22/1069642722.db2.gz RDTSZXIYZWACMX-NHCUHLMSSA-N 2 1 461.655 1.503 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CC=CCC2)CC1 ZINC001501779235 1069661638 /nfs/dbraw/zinc/66/16/38/1069661638.db2.gz ZINHVLCGQSRYME-UHFFFAOYSA-N 2 1 497.692 1.782 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CC=CCC2)CC1 ZINC001501779235 1069661654 /nfs/dbraw/zinc/66/16/54/1069661654.db2.gz ZINHVLCGQSRYME-UHFFFAOYSA-N 2 1 497.692 1.782 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001501779235 1069661665 /nfs/dbraw/zinc/66/16/65/1069661665.db2.gz ZINHVLCGQSRYME-UHFFFAOYSA-N 2 1 497.692 1.782 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001501779235 1069661682 /nfs/dbraw/zinc/66/16/82/1069661682.db2.gz ZINHVLCGQSRYME-UHFFFAOYSA-N 2 1 497.692 1.782 20 0 JDADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001501799809 1069725379 /nfs/dbraw/zinc/72/53/79/1069725379.db2.gz YRDBSBQUJLDCCH-AZUAARDMSA-N 2 1 457.627 1.152 20 0 JDADMP CC[NH+](CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)c1ccco1 ZINC001501816168 1069736665 /nfs/dbraw/zinc/73/66/65/1069736665.db2.gz WXRBERIBFCAKEH-GUDVDZBRSA-N 2 1 495.650 1.085 20 0 JDADMP CC[NH+](CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1)c1ccco1 ZINC001501816168 1069736675 /nfs/dbraw/zinc/73/66/75/1069736675.db2.gz WXRBERIBFCAKEH-GUDVDZBRSA-N 2 1 495.650 1.085 20 0 JDADMP CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)c1ccco1 ZINC001501816167 1069736952 /nfs/dbraw/zinc/73/69/52/1069736952.db2.gz WXRBERIBFCAKEH-GBESFXJTSA-N 2 1 495.650 1.085 20 0 JDADMP CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)c1ccco1 ZINC001501816167 1069736978 /nfs/dbraw/zinc/73/69/78/1069736978.db2.gz WXRBERIBFCAKEH-GBESFXJTSA-N 2 1 495.650 1.085 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001501907550 1069794859 /nfs/dbraw/zinc/79/48/59/1069794859.db2.gz XHKUKOUZQIRFOX-UHFFFAOYSA-N 2 1 488.725 1.952 20 0 JDADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001501921624 1069802263 /nfs/dbraw/zinc/80/22/63/1069802263.db2.gz FODSJANBPANUJX-OAQYLSRUSA-N 2 1 474.698 1.708 20 0 JDADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001501934980 1069803820 /nfs/dbraw/zinc/80/38/20/1069803820.db2.gz PBIMLOIABUVBTF-FSSWDIPSSA-N 2 1 496.722 1.849 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001501965224 1069808823 /nfs/dbraw/zinc/80/88/23/1069808823.db2.gz RODPGCYZBQCFSB-ILWGZMRPSA-N 2 1 461.655 1.850 20 0 JDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001477317866 1069812174 /nfs/dbraw/zinc/81/21/74/1069812174.db2.gz ZKYKVQAXEGYNOT-SFHVURJKSA-N 2 1 457.541 1.926 20 0 JDADMP CN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cc2)CC1 ZINC001477393207 1069818265 /nfs/dbraw/zinc/81/82/65/1069818265.db2.gz GWXIBVNXDYPSMF-UHFFFAOYSA-N 2 1 456.679 1.993 20 0 JDADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001477472144 1069825802 /nfs/dbraw/zinc/82/58/02/1069825802.db2.gz PXYIUMZJSHHSTE-VWLOTQADSA-N 2 1 451.615 1.870 20 0 JDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cc1OC ZINC001477532912 1069830687 /nfs/dbraw/zinc/83/06/87/1069830687.db2.gz XTRUZJIOLVWROW-LJQANCHMSA-N 2 1 450.580 1.662 20 0 JDADMP CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC001502185663 1069846269 /nfs/dbraw/zinc/84/62/69/1069846269.db2.gz LSVATURLJVGUNQ-UXHICEINSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC001502185663 1069846270 /nfs/dbraw/zinc/84/62/70/1069846270.db2.gz LSVATURLJVGUNQ-UXHICEINSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001502186813 1069848818 /nfs/dbraw/zinc/84/88/18/1069848818.db2.gz RVCNKLSCIZCLGA-KRWDZBQOSA-N 2 1 455.673 1.683 20 0 JDADMP CC[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001502186813 1069848819 /nfs/dbraw/zinc/84/88/19/1069848819.db2.gz RVCNKLSCIZCLGA-KRWDZBQOSA-N 2 1 455.673 1.683 20 0 JDADMP CC[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001502186813 1069848820 /nfs/dbraw/zinc/84/88/20/1069848820.db2.gz RVCNKLSCIZCLGA-KRWDZBQOSA-N 2 1 455.673 1.683 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C)C(C)C ZINC001502199232 1069854379 /nfs/dbraw/zinc/85/43/79/1069854379.db2.gz GYDZCYJWUYOSCK-ZCNNSNEGSA-N 2 1 485.699 1.260 20 0 JDADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)C(C)C ZINC001502199232 1069854382 /nfs/dbraw/zinc/85/43/82/1069854382.db2.gz GYDZCYJWUYOSCK-ZCNNSNEGSA-N 2 1 485.699 1.260 20 0 JDADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)C(C)C ZINC001502199232 1069854386 /nfs/dbraw/zinc/85/43/86/1069854386.db2.gz GYDZCYJWUYOSCK-ZCNNSNEGSA-N 2 1 485.699 1.260 20 0 JDADMP C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1Cc1ccccc1 ZINC001477812139 1069862467 /nfs/dbraw/zinc/86/24/67/1069862467.db2.gz IMNZNNRYYTVMEH-QHCPKHFHSA-N 2 1 451.619 1.947 20 0 JDADMP C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1Cc1ccccc1 ZINC001477812139 1069862470 /nfs/dbraw/zinc/86/24/70/1069862470.db2.gz IMNZNNRYYTVMEH-QHCPKHFHSA-N 2 1 451.619 1.947 20 0 JDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CC[NH+](CC4CCOCC4)CC3)c2)C1 ZINC001477841249 1069866515 /nfs/dbraw/zinc/86/65/15/1069866515.db2.gz DGHPKKWQZXXELR-HSZRJFAPSA-N 2 1 457.619 1.638 20 0 JDADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001477919276 1069876511 /nfs/dbraw/zinc/87/65/11/1069876511.db2.gz BUGPLJKYHNBJGS-SFHVURJKSA-N 2 1 451.015 1.349 20 0 JDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001477919276 1069876513 /nfs/dbraw/zinc/87/65/13/1069876513.db2.gz BUGPLJKYHNBJGS-SFHVURJKSA-N 2 1 451.015 1.349 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001502244044 1069911905 /nfs/dbraw/zinc/91/19/05/1069911905.db2.gz BBXUEMIHOWTZRH-FYQPLNBISA-N 2 1 485.699 1.164 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001502244044 1069911932 /nfs/dbraw/zinc/91/19/32/1069911932.db2.gz BBXUEMIHOWTZRH-FYQPLNBISA-N 2 1 485.699 1.164 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001502244044 1069911949 /nfs/dbraw/zinc/91/19/49/1069911949.db2.gz BBXUEMIHOWTZRH-FYQPLNBISA-N 2 1 485.699 1.164 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001502244045 1069914675 /nfs/dbraw/zinc/91/46/75/1069914675.db2.gz BBXUEMIHOWTZRH-LWYYNNOASA-N 2 1 485.699 1.164 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001502244045 1069914708 /nfs/dbraw/zinc/91/47/08/1069914708.db2.gz BBXUEMIHOWTZRH-LWYYNNOASA-N 2 1 485.699 1.164 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001502244045 1069914736 /nfs/dbraw/zinc/91/47/36/1069914736.db2.gz BBXUEMIHOWTZRH-LWYYNNOASA-N 2 1 485.699 1.164 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502245430 1069922378 /nfs/dbraw/zinc/92/23/78/1069922378.db2.gz SNUWEQLPWACOCM-UFYCRDLUSA-N 2 1 469.700 1.929 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001502245431 1069923307 /nfs/dbraw/zinc/92/33/07/1069923307.db2.gz SOUXLVRXLPFYQS-RDGPPVDQSA-N 2 1 455.673 1.539 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001502245432 1069923964 /nfs/dbraw/zinc/92/39/64/1069923964.db2.gz SOUXLVRXLPFYQS-VJANTYMQSA-N 2 1 455.673 1.539 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001502255980 1069946454 /nfs/dbraw/zinc/94/64/54/1069946454.db2.gz SFBUZYRNUQAGJT-IRFCIJBXSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001502255980 1069946479 /nfs/dbraw/zinc/94/64/79/1069946479.db2.gz SFBUZYRNUQAGJT-IRFCIJBXSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001502255980 1069946502 /nfs/dbraw/zinc/94/65/02/1069946502.db2.gz SFBUZYRNUQAGJT-IRFCIJBXSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001502265795 1069977312 /nfs/dbraw/zinc/97/73/12/1069977312.db2.gz XGADEYSKTMEMMN-LRSLUSHPSA-N 2 1 477.698 1.947 20 0 JDADMP CC[NH+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC001502265795 1069977338 /nfs/dbraw/zinc/97/73/38/1069977338.db2.gz XGADEYSKTMEMMN-LRSLUSHPSA-N 2 1 477.698 1.947 20 0 JDADMP CC[NH+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC001502265795 1069977371 /nfs/dbraw/zinc/97/73/71/1069977371.db2.gz XGADEYSKTMEMMN-LRSLUSHPSA-N 2 1 477.698 1.947 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001502265796 1069977630 /nfs/dbraw/zinc/97/76/30/1069977630.db2.gz XGADEYSKTMEMMN-MLNNCEHLSA-N 2 1 477.698 1.947 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC001502265796 1069977658 /nfs/dbraw/zinc/97/76/58/1069977658.db2.gz XGADEYSKTMEMMN-MLNNCEHLSA-N 2 1 477.698 1.947 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC001502265796 1069977679 /nfs/dbraw/zinc/97/76/79/1069977679.db2.gz XGADEYSKTMEMMN-MLNNCEHLSA-N 2 1 477.698 1.947 20 0 JDADMP CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC001502270560 1069988446 /nfs/dbraw/zinc/98/84/46/1069988446.db2.gz OMLOSTKMOZFERI-UNMCSNQZSA-N 2 1 469.634 1.614 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC001502270560 1069988482 /nfs/dbraw/zinc/98/84/82/1069988482.db2.gz OMLOSTKMOZFERI-UNMCSNQZSA-N 2 1 469.634 1.614 20 0 JDADMP CC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)C1 ZINC001502271953 1069995688 /nfs/dbraw/zinc/99/56/88/1069995688.db2.gz OKZSSYLWVSHHHI-VAPSRWTKSA-N 2 1 491.681 1.333 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)C1 ZINC001502271953 1069995719 /nfs/dbraw/zinc/99/57/19/1069995719.db2.gz OKZSSYLWVSHHHI-VAPSRWTKSA-N 2 1 491.681 1.333 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001502276256 1070002906 /nfs/dbraw/zinc/00/29/06/1070002906.db2.gz OEAPDDGFWNVUKG-PMACEKPBSA-N 2 1 497.710 1.263 20 0 JDADMP CC[NH+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001502276256 1070002923 /nfs/dbraw/zinc/00/29/23/1070002923.db2.gz OEAPDDGFWNVUKG-PMACEKPBSA-N 2 1 497.710 1.263 20 0 JDADMP CC[NH+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001502276256 1070002929 /nfs/dbraw/zinc/00/29/29/1070002929.db2.gz OEAPDDGFWNVUKG-PMACEKPBSA-N 2 1 497.710 1.263 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001502276258 1070003069 /nfs/dbraw/zinc/00/30/69/1070003069.db2.gz OEAPDDGFWNVUKG-VQTJNVASSA-N 2 1 497.710 1.263 20 0 JDADMP CC[NH+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001502276258 1070003083 /nfs/dbraw/zinc/00/30/83/1070003083.db2.gz OEAPDDGFWNVUKG-VQTJNVASSA-N 2 1 497.710 1.263 20 0 JDADMP CC[NH+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001502276258 1070003105 /nfs/dbraw/zinc/00/31/05/1070003105.db2.gz OEAPDDGFWNVUKG-VQTJNVASSA-N 2 1 497.710 1.263 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CC[NH+](CC)C2)CC1 ZINC001502280026 1070009070 /nfs/dbraw/zinc/00/90/70/1070009070.db2.gz HFFGDPAMTAKQRW-LEWJYISDSA-N 2 1 461.655 1.852 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CC[NH+](CC)C2)CC1 ZINC001502280026 1070009089 /nfs/dbraw/zinc/00/90/89/1070009089.db2.gz HFFGDPAMTAKQRW-LEWJYISDSA-N 2 1 461.655 1.852 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001502280026 1070009111 /nfs/dbraw/zinc/00/91/11/1070009111.db2.gz HFFGDPAMTAKQRW-LEWJYISDSA-N 2 1 461.655 1.852 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001502280026 1070009129 /nfs/dbraw/zinc/00/91/29/1070009129.db2.gz HFFGDPAMTAKQRW-LEWJYISDSA-N 2 1 461.655 1.852 20 0 JDADMP CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001502281658 1070013562 /nfs/dbraw/zinc/01/35/62/1070013562.db2.gz LCYCMRUWDUTYNP-IFMALSPDSA-N 2 1 489.690 1.737 20 0 JDADMP CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001502281529 1070013852 /nfs/dbraw/zinc/01/38/52/1070013852.db2.gz JMRPAYDTTHDLIL-IEBWSBKVSA-N 2 1 453.657 1.437 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001478956265 1070072079 /nfs/dbraw/zinc/07/20/79/1070072079.db2.gz DXZPERLEJICGGC-SFHVURJKSA-N 2 1 457.616 1.504 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001478956265 1070072097 /nfs/dbraw/zinc/07/20/97/1070072097.db2.gz DXZPERLEJICGGC-SFHVURJKSA-N 2 1 457.616 1.504 20 0 JDADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001502312420 1070083640 /nfs/dbraw/zinc/08/36/40/1070083640.db2.gz LQNPXOCCHXSFTB-QFIPXVFZSA-N 2 1 499.708 1.300 20 0 JDADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479178388 1070099691 /nfs/dbraw/zinc/09/96/91/1070099691.db2.gz UWKVUCUWWPYDMK-FQEVSTJZSA-N 2 1 453.578 1.835 20 0 JDADMP CC[NH+]1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001502315706 1070104226 /nfs/dbraw/zinc/10/42/26/1070104226.db2.gz TTYOEIPNXNZKAR-UXHICEINSA-N 2 1 488.706 1.826 20 0 JDADMP CC[NH+]1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001502315707 1070106172 /nfs/dbraw/zinc/10/61/72/1070106172.db2.gz TTYOEIPNXNZKAR-VQTJNVASSA-N 2 1 488.706 1.826 20 0 JDADMP CC[NH+]1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001502315708 1070106427 /nfs/dbraw/zinc/10/64/27/1070106427.db2.gz TTYOEIPNXNZKAR-WOJBJXKFSA-N 2 1 488.706 1.826 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC001502317818 1070123285 /nfs/dbraw/zinc/12/32/85/1070123285.db2.gz OREJXXMBZFGTTA-AQNXPRMDSA-N 2 1 489.690 1.866 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001502317818 1070123308 /nfs/dbraw/zinc/12/33/08/1070123308.db2.gz OREJXXMBZFGTTA-AQNXPRMDSA-N 2 1 489.690 1.866 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001502317818 1070123317 /nfs/dbraw/zinc/12/33/17/1070123317.db2.gz OREJXXMBZFGTTA-AQNXPRMDSA-N 2 1 489.690 1.866 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC001502317817 1070124164 /nfs/dbraw/zinc/12/41/64/1070124164.db2.gz OREJXXMBZFGTTA-AABGKKOBSA-N 2 1 489.690 1.866 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001502317817 1070124188 /nfs/dbraw/zinc/12/41/88/1070124188.db2.gz OREJXXMBZFGTTA-AABGKKOBSA-N 2 1 489.690 1.866 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001502317817 1070124201 /nfs/dbraw/zinc/12/42/01/1070124201.db2.gz OREJXXMBZFGTTA-AABGKKOBSA-N 2 1 489.690 1.866 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)C[C@H]1C ZINC001502318189 1070126512 /nfs/dbraw/zinc/12/65/12/1070126512.db2.gz WFWGQJIGXUSBOD-MOPGFXCFSA-N 2 1 483.683 1.064 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001502318813 1070130314 /nfs/dbraw/zinc/13/03/14/1070130314.db2.gz GTTFPAILVGSBAU-ROUUACIJSA-N 2 1 455.673 1.541 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001502318813 1070130281 /nfs/dbraw/zinc/13/02/81/1070130281.db2.gz GTTFPAILVGSBAU-ROUUACIJSA-N 2 1 455.673 1.541 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001502318813 1070130294 /nfs/dbraw/zinc/13/02/94/1070130294.db2.gz GTTFPAILVGSBAU-ROUUACIJSA-N 2 1 455.673 1.541 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001502319139 1070132455 /nfs/dbraw/zinc/13/24/55/1070132455.db2.gz LKKKGPAZBVDTRB-AABGKKOBSA-N 2 1 469.700 1.931 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001502319139 1070132463 /nfs/dbraw/zinc/13/24/63/1070132463.db2.gz LKKKGPAZBVDTRB-AABGKKOBSA-N 2 1 469.700 1.931 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001502319139 1070132475 /nfs/dbraw/zinc/13/24/75/1070132475.db2.gz LKKKGPAZBVDTRB-AABGKKOBSA-N 2 1 469.700 1.931 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502326519 1070146191 /nfs/dbraw/zinc/14/61/91/1070146191.db2.gz YATYUNDDOVLYDU-DFIYOIEZSA-N 2 1 491.681 1.990 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001502326519 1070146212 /nfs/dbraw/zinc/14/62/12/1070146212.db2.gz YATYUNDDOVLYDU-DFIYOIEZSA-N 2 1 491.681 1.990 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001502326519 1070146243 /nfs/dbraw/zinc/14/62/43/1070146243.db2.gz YATYUNDDOVLYDU-DFIYOIEZSA-N 2 1 491.681 1.990 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001502327331 1070150081 /nfs/dbraw/zinc/15/00/81/1070150081.db2.gz MDTHDMPZBQYTPI-ANULTFPQSA-N 2 1 497.710 1.262 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001502327331 1070150086 /nfs/dbraw/zinc/15/00/86/1070150086.db2.gz MDTHDMPZBQYTPI-ANULTFPQSA-N 2 1 497.710 1.262 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001502327331 1070150089 /nfs/dbraw/zinc/15/00/89/1070150089.db2.gz MDTHDMPZBQYTPI-ANULTFPQSA-N 2 1 497.710 1.262 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502327954 1070157275 /nfs/dbraw/zinc/15/72/75/1070157275.db2.gz WYHLGZMNOOBEEN-NHCUHLMSSA-N 2 1 497.710 1.263 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502327955 1070158014 /nfs/dbraw/zinc/15/80/14/1070158014.db2.gz WYHLGZMNOOBEEN-RTWAWAEBSA-N 2 1 497.710 1.263 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001502332087 1070169389 /nfs/dbraw/zinc/16/93/89/1070169389.db2.gz CUCYFWNRERHDKY-HKBOAZHASA-N 2 1 450.628 1.645 20 0 JDADMP C[NH+]1CCN(c2ccc(CCNC(=O)NC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001479604249 1070172950 /nfs/dbraw/zinc/17/29/50/1070172950.db2.gz NARDBISFFCCBHP-AREMUKBSSA-N 2 1 451.615 1.917 20 0 JDADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334676 1070189081 /nfs/dbraw/zinc/18/90/81/1070189081.db2.gz NMLNTJWZDREIRN-QHAWAJNXSA-N 2 1 460.671 1.422 20 0 JDADMP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502341382 1070227753 /nfs/dbraw/zinc/22/77/53/1070227753.db2.gz VAYFSDZBQOXJRW-YADHBBJMSA-N 2 1 472.682 1.714 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493204004 1070257241 /nfs/dbraw/zinc/25/72/41/1070257241.db2.gz NPAMDDBRPRMPBW-ZCNNSNEGSA-N 2 1 461.655 1.694 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493204004 1070257278 /nfs/dbraw/zinc/25/72/78/1070257278.db2.gz NPAMDDBRPRMPBW-ZCNNSNEGSA-N 2 1 461.655 1.694 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493204004 1070257314 /nfs/dbraw/zinc/25/73/14/1070257314.db2.gz NPAMDDBRPRMPBW-ZCNNSNEGSA-N 2 1 461.655 1.694 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493204004 1070257336 /nfs/dbraw/zinc/25/73/36/1070257336.db2.gz NPAMDDBRPRMPBW-ZCNNSNEGSA-N 2 1 461.655 1.694 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268106 1070272998 /nfs/dbraw/zinc/27/29/98/1070272998.db2.gz YGCQDEONCLZANP-WOZUAGRISA-N 2 1 481.711 1.931 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493268106 1070273026 /nfs/dbraw/zinc/27/30/26/1070273026.db2.gz YGCQDEONCLZANP-WOZUAGRISA-N 2 1 481.711 1.931 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493268106 1070273059 /nfs/dbraw/zinc/27/30/59/1070273059.db2.gz YGCQDEONCLZANP-WOZUAGRISA-N 2 1 481.711 1.931 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352680 1070274711 /nfs/dbraw/zinc/27/47/11/1070274711.db2.gz KYWKKSUHVMYXSH-LADGPHEKSA-N 2 1 488.725 1.808 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352680 1070274737 /nfs/dbraw/zinc/27/47/37/1070274737.db2.gz KYWKKSUHVMYXSH-LADGPHEKSA-N 2 1 488.725 1.808 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352680 1070274757 /nfs/dbraw/zinc/27/47/57/1070274757.db2.gz KYWKKSUHVMYXSH-LADGPHEKSA-N 2 1 488.725 1.808 20 0 JDADMP CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502360907 1070304205 /nfs/dbraw/zinc/30/42/05/1070304205.db2.gz UNGVNPMVKFRIOJ-UHFFFAOYSA-N 2 1 460.671 1.395 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001493690866 1070336268 /nfs/dbraw/zinc/33/62/68/1070336268.db2.gz LDZROQMHQKIGDC-HSALFYBXSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493690876 1070336455 /nfs/dbraw/zinc/33/64/55/1070336455.db2.gz LDZROQMHQKIGDC-VAMGGRTRSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001494152238 1070449223 /nfs/dbraw/zinc/44/92/23/1070449223.db2.gz STBXNKHDFUERAB-IBGZPJMESA-N 2 1 470.622 1.814 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001494201260 1070488408 /nfs/dbraw/zinc/48/84/08/1070488408.db2.gz OAKXRQADILVEAE-ZWKOTPCHSA-N 2 1 485.724 1.248 20 0 JDADMP C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001494348349 1070560127 /nfs/dbraw/zinc/56/01/27/1070560127.db2.gz UCDTUPDGUPVXQV-RTBURBONSA-N 2 1 468.668 1.069 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494519259 1070611708 /nfs/dbraw/zinc/61/17/08/1070611708.db2.gz OATFKJAPASXLKJ-NJDAHSKKSA-N 2 1 497.710 1.454 20 0 JDADMP CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494520941 1070613618 /nfs/dbraw/zinc/61/36/18/1070613618.db2.gz WQLFRXGTYIGIAV-HBMCJLEFSA-N 2 1 461.655 1.644 20 0 JDADMP CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494520941 1070613627 /nfs/dbraw/zinc/61/36/27/1070613627.db2.gz WQLFRXGTYIGIAV-HBMCJLEFSA-N 2 1 461.655 1.644 20 0 JDADMP CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494520941 1070613644 /nfs/dbraw/zinc/61/36/44/1070613644.db2.gz WQLFRXGTYIGIAV-HBMCJLEFSA-N 2 1 461.655 1.644 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2C[C@H](C)N2CC[NH+](CC)CC2)CCOC1 ZINC001502664042 1070742588 /nfs/dbraw/zinc/74/25/88/1070742588.db2.gz GNEGYLGXGUGSPL-DEJKCJRPSA-N 2 1 477.698 1.875 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@@H](CC)[C@H]([NH+]4CCOCC4)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001502667690 1070747210 /nfs/dbraw/zinc/74/72/10/1070747210.db2.gz XVPBAGLCILCQJS-PQNGQFLHSA-N 2 1 464.655 1.817 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@@H](CC)[C@H]([NH+]4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001502667690 1070747223 /nfs/dbraw/zinc/74/72/23/1070747223.db2.gz XVPBAGLCILCQJS-PQNGQFLHSA-N 2 1 464.655 1.817 20 0 JDADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675636 1070813306 /nfs/dbraw/zinc/81/33/06/1070813306.db2.gz CDHMSCDWYJSLQO-LEWJYISDSA-N 2 1 475.682 1.770 20 0 JDADMP CCO[C@@]1(c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001502708380 1070814196 /nfs/dbraw/zinc/81/41/96/1070814196.db2.gz RPPHSAUZPKYJBN-QPPBQGQZSA-N 2 1 464.655 1.819 20 0 JDADMP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001495698807 1070816122 /nfs/dbraw/zinc/81/61/22/1070816122.db2.gz SUAPNAOZSGAQRP-HXUWFJFHSA-N 2 1 461.655 1.647 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001502713963 1070821290 /nfs/dbraw/zinc/82/12/90/1070821290.db2.gz FIEHMYBFUVSMCU-NZQKXSOJSA-N 2 1 450.628 1.429 20 0 JDADMP CCO[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001502713965 1070821371 /nfs/dbraw/zinc/82/13/71/1070821371.db2.gz FIEHMYBFUVSMCU-REWPJTCUSA-N 2 1 450.628 1.429 20 0 JDADMP CCO[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502715605 1070823740 /nfs/dbraw/zinc/82/37/40/1070823740.db2.gz WRQZQTQXRIZPLD-YKSBVNFPSA-N 2 1 464.655 1.698 20 0 JDADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001496116477 1070831034 /nfs/dbraw/zinc/83/10/34/1070831034.db2.gz ODYDBTPHHBZJPQ-IPMKNSEASA-N 2 1 455.673 1.683 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001502724839 1070834193 /nfs/dbraw/zinc/83/41/93/1070834193.db2.gz FDQVXYWRLYZCPJ-PQNGQFLHSA-N 2 1 464.655 1.819 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001502724839 1070834194 /nfs/dbraw/zinc/83/41/94/1070834194.db2.gz FDQVXYWRLYZCPJ-PQNGQFLHSA-N 2 1 464.655 1.819 20 0 JDADMP CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001496663221 1070856380 /nfs/dbraw/zinc/85/63/80/1070856380.db2.gz WMJLTANUWPTBDM-FCEUIQTBSA-N 2 1 496.722 1.705 20 0 JDADMP CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001496663219 1070856393 /nfs/dbraw/zinc/85/63/93/1070856393.db2.gz WMJLTANUWPTBDM-BVSLBCMMSA-N 2 1 496.722 1.705 20 0 JDADMP CCOCc1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503041601 1071003757 /nfs/dbraw/zinc/00/37/57/1071003757.db2.gz UBVSZJVMAOLCIU-LEWJYISDSA-N 2 1 464.655 1.597 20 0 JDADMP CCOCc1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001503039972 1071002863 /nfs/dbraw/zinc/00/28/63/1071002863.db2.gz XEYKXPPULAVBAN-PZJWPPBQSA-N 2 1 450.628 1.208 20 0 JDADMP CCOCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001503053952 1071010116 /nfs/dbraw/zinc/01/01/16/1071010116.db2.gz JOJZCGMYDNNPQT-JOCHJYFZSA-N 2 1 475.682 1.927 20 0 JDADMP CCOCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001503053952 1071010135 /nfs/dbraw/zinc/01/01/35/1071010135.db2.gz JOJZCGMYDNNPQT-JOCHJYFZSA-N 2 1 475.682 1.927 20 0 JDADMP CCOCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001503056820 1071011676 /nfs/dbraw/zinc/01/16/76/1071011676.db2.gz MHKQCUZTEIBCIO-JOCHJYFZSA-N 2 1 464.655 1.720 20 0 JDADMP COc1ccc(OCc2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001504309990 1071040057 /nfs/dbraw/zinc/04/00/57/1071040057.db2.gz YALTXGVYPRTCAJ-OAQYLSRUSA-N 2 1 499.660 1.950 20 0 JDADMP COc1ccc(OCc2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001504309990 1071040062 /nfs/dbraw/zinc/04/00/62/1071040062.db2.gz YALTXGVYPRTCAJ-OAQYLSRUSA-N 2 1 499.660 1.950 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001503098146 1071041879 /nfs/dbraw/zinc/04/18/79/1071041879.db2.gz JYYYHDUZGOYYHD-HBMCJLEFSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC001503098146 1071041885 /nfs/dbraw/zinc/04/18/85/1071041885.db2.gz JYYYHDUZGOYYHD-HBMCJLEFSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC001503098146 1071041897 /nfs/dbraw/zinc/04/18/97/1071041897.db2.gz JYYYHDUZGOYYHD-HBMCJLEFSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001503098147 1071042695 /nfs/dbraw/zinc/04/26/95/1071042695.db2.gz JYYYHDUZGOYYHD-HKBOAZHASA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC001503098147 1071042700 /nfs/dbraw/zinc/04/27/00/1071042700.db2.gz JYYYHDUZGOYYHD-HKBOAZHASA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC001503098147 1071042708 /nfs/dbraw/zinc/04/27/08/1071042708.db2.gz JYYYHDUZGOYYHD-HKBOAZHASA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001503098145 1071041973 /nfs/dbraw/zinc/04/19/73/1071041973.db2.gz JYYYHDUZGOYYHD-ACRUOGEOSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC001503098145 1071041976 /nfs/dbraw/zinc/04/19/76/1071041976.db2.gz JYYYHDUZGOYYHD-ACRUOGEOSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC001503098145 1071041979 /nfs/dbraw/zinc/04/19/79/1071041979.db2.gz JYYYHDUZGOYYHD-ACRUOGEOSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001503098201 1071043220 /nfs/dbraw/zinc/04/32/20/1071043220.db2.gz LQIYAPSQVYCONE-RTBURBONSA-N 2 1 459.595 1.453 20 0 JDADMP CCOCc1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001503109638 1071063770 /nfs/dbraw/zinc/06/37/70/1071063770.db2.gz NNHGHVZUFYVLNY-RBBKRZOGSA-N 2 1 491.681 1.447 20 0 JDADMP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001503109638 1071063779 /nfs/dbraw/zinc/06/37/79/1071063779.db2.gz NNHGHVZUFYVLNY-RBBKRZOGSA-N 2 1 491.681 1.447 20 0 JDADMP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001503109638 1071063791 /nfs/dbraw/zinc/06/37/91/1071063791.db2.gz NNHGHVZUFYVLNY-RBBKRZOGSA-N 2 1 491.681 1.447 20 0 JDADMP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001503109621 1071063843 /nfs/dbraw/zinc/06/38/43/1071063843.db2.gz MSYBVEAGCYHMGX-NHCUHLMSSA-N 2 1 463.671 1.530 20 0 JDADMP CCOCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503115476 1071077268 /nfs/dbraw/zinc/07/72/68/1071077268.db2.gz RBQZOCUYFQCHIQ-VXKWHMMOSA-N 2 1 477.698 1.920 20 0 JDADMP CCOCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503115476 1071077284 /nfs/dbraw/zinc/07/72/84/1071077284.db2.gz RBQZOCUYFQCHIQ-VXKWHMMOSA-N 2 1 477.698 1.920 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CC=CCC2)C[C@@H]1CC ZINC001503216023 1071164611 /nfs/dbraw/zinc/16/46/11/1071164611.db2.gz KXJHHLSICBGFLA-NRFANRHFSA-N 2 1 459.639 1.713 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CC=CCC2)C[C@@H]1CC ZINC001503216023 1071164627 /nfs/dbraw/zinc/16/46/27/1071164627.db2.gz KXJHHLSICBGFLA-NRFANRHFSA-N 2 1 459.639 1.713 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CC=CCC2)C[C@@H]1CC ZINC001503216023 1071164640 /nfs/dbraw/zinc/16/46/40/1071164640.db2.gz KXJHHLSICBGFLA-NRFANRHFSA-N 2 1 459.639 1.713 20 0 JDADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCCC2)CC1 ZINC001504423620 1071178948 /nfs/dbraw/zinc/17/89/48/1071178948.db2.gz DVXNVCOESXPWGY-UHFFFAOYSA-N 2 1 455.607 1.843 20 0 JDADMP COc1ccccc1C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)CC1 ZINC001504424937 1071182798 /nfs/dbraw/zinc/18/27/98/1071182798.db2.gz XLRRDOSMJFRLSC-LJQANCHMSA-N 2 1 491.662 1.315 20 0 JDADMP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC001504489020 1071263019 /nfs/dbraw/zinc/26/30/19/1071263019.db2.gz DQSHKEZVOKDCEH-GBESFXJTSA-N 2 1 497.710 1.451 20 0 JDADMP C[NH+](C)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCOCC1 ZINC001503388379 1071646772 /nfs/dbraw/zinc/64/67/72/1071646772.db2.gz XBHILVHXKKJSRG-UHFFFAOYSA-N 2 1 461.655 1.936 20 0 JDADMP C[NH+](C)CC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001503398209 1071657600 /nfs/dbraw/zinc/65/76/00/1071657600.db2.gz IDVFWXHCZHAPTP-OAQYLSRUSA-N 2 1 468.650 1.595 20 0 JDADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001503400488 1071661590 /nfs/dbraw/zinc/66/15/90/1071661590.db2.gz UIGQYKLMRFEETM-LJQANCHMSA-N 2 1 484.711 1.563 20 0 JDADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001503400486 1071661606 /nfs/dbraw/zinc/66/16/06/1071661606.db2.gz UIGQYKLMRFEETM-IBGZPJMESA-N 2 1 484.711 1.563 20 0 JDADMP C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001503403258 1071668678 /nfs/dbraw/zinc/66/86/78/1071668678.db2.gz VEEBKMJYADUHGO-UHFFFAOYSA-N 2 1 469.634 1.805 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001504849167 1071745589 /nfs/dbraw/zinc/74/55/89/1071745589.db2.gz AUJVVGCFNADITF-UHFFFAOYSA-N 2 1 461.611 1.895 20 0 JDADMP COCC[N@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001504851457 1071751500 /nfs/dbraw/zinc/75/15/00/1071751500.db2.gz OMSBTGREIRRIKE-SIKLNZKXSA-N 2 1 457.623 1.774 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001504851457 1071751503 /nfs/dbraw/zinc/75/15/03/1071751503.db2.gz OMSBTGREIRRIKE-SIKLNZKXSA-N 2 1 457.623 1.774 20 0 JDADMP COCC[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001504851940 1071752630 /nfs/dbraw/zinc/75/26/30/1071752630.db2.gz SDQBORFEKLCJFP-NZQKXSOJSA-N 2 1 450.628 1.789 20 0 JDADMP COCC[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001504851940 1071752644 /nfs/dbraw/zinc/75/26/44/1071752644.db2.gz SDQBORFEKLCJFP-NZQKXSOJSA-N 2 1 450.628 1.789 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504854311 1071763166 /nfs/dbraw/zinc/76/31/66/1071763166.db2.gz GRPILCMENQHURG-NFBKMPQASA-N 2 1 469.634 1.512 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504854311 1071763178 /nfs/dbraw/zinc/76/31/78/1071763178.db2.gz GRPILCMENQHURG-NFBKMPQASA-N 2 1 469.634 1.512 20 0 JDADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503448842 1071769763 /nfs/dbraw/zinc/76/97/63/1071769763.db2.gz JRKXHPBIFHMDCZ-FQEVSTJZSA-N 2 1 464.655 1.423 20 0 JDADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503448843 1071769942 /nfs/dbraw/zinc/76/99/42/1071769942.db2.gz JRKXHPBIFHMDCZ-HXUWFJFHSA-N 2 1 464.655 1.423 20 0 JDADMP COCC[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001504856555 1071770572 /nfs/dbraw/zinc/77/05/72/1071770572.db2.gz AYGZVVGWEQFRRJ-UHFFFAOYSA-N 2 1 461.655 1.648 20 0 JDADMP COCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001504856555 1071770593 /nfs/dbraw/zinc/77/05/93/1071770593.db2.gz AYGZVVGWEQFRRJ-UHFFFAOYSA-N 2 1 461.655 1.648 20 0 JDADMP COCC[NH+](C)CCn1c(C2CCCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001504856555 1071770614 /nfs/dbraw/zinc/77/06/14/1071770614.db2.gz AYGZVVGWEQFRRJ-UHFFFAOYSA-N 2 1 461.655 1.648 20 0 JDADMP COCC[NH+](C)CCn1c(C2CCCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001504856555 1071770640 /nfs/dbraw/zinc/77/06/40/1071770640.db2.gz AYGZVVGWEQFRRJ-UHFFFAOYSA-N 2 1 461.655 1.648 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504857031 1071773669 /nfs/dbraw/zinc/77/36/69/1071773669.db2.gz IIAFARQXPMFCMU-GBXCKJPGSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504857031 1071773679 /nfs/dbraw/zinc/77/36/79/1071773679.db2.gz IIAFARQXPMFCMU-GBXCKJPGSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504857031 1071773685 /nfs/dbraw/zinc/77/36/85/1071773685.db2.gz IIAFARQXPMFCMU-GBXCKJPGSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504859211 1071787617 /nfs/dbraw/zinc/78/76/17/1071787617.db2.gz WLYQDZWPZKYCDE-SIKLNZKXSA-N 2 1 489.690 1.497 20 0 JDADMP COCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504859211 1071787625 /nfs/dbraw/zinc/78/76/25/1071787625.db2.gz WLYQDZWPZKYCDE-SIKLNZKXSA-N 2 1 489.690 1.497 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001504903996 1071842566 /nfs/dbraw/zinc/84/25/66/1071842566.db2.gz IGQVJDLQZRQOOA-AABGKKOBSA-N 2 1 485.699 1.166 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001504904723 1071844893 /nfs/dbraw/zinc/84/48/93/1071844893.db2.gz QAQDSVLTADWQGZ-QZTJIDSGSA-N 2 1 478.041 1.969 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001504914409 1071874984 /nfs/dbraw/zinc/87/49/84/1071874984.db2.gz OZCPUEZCQAWJIV-OAQYLSRUSA-N 2 1 456.570 1.889 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001504917067 1071881787 /nfs/dbraw/zinc/88/17/87/1071881787.db2.gz IQPKJIFCERRSPB-FPOVZHCZSA-N 2 1 455.607 1.518 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001504917067 1071881790 /nfs/dbraw/zinc/88/17/90/1071881790.db2.gz IQPKJIFCERRSPB-FPOVZHCZSA-N 2 1 455.607 1.518 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001504917072 1071882580 /nfs/dbraw/zinc/88/25/80/1071882580.db2.gz IQPKJIFCERRSPB-TZIWHRDSSA-N 2 1 455.607 1.518 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001504917072 1071882583 /nfs/dbraw/zinc/88/25/83/1071882583.db2.gz IQPKJIFCERRSPB-TZIWHRDSSA-N 2 1 455.607 1.518 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504917727 1071883775 /nfs/dbraw/zinc/88/37/75/1071883775.db2.gz WLKIAQKLIKNSGW-FPOVZHCZSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504917729 1071883840 /nfs/dbraw/zinc/88/38/40/1071883840.db2.gz WLKIAQKLIKNSGW-TZIWHRDSSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504916287 1071879864 /nfs/dbraw/zinc/87/98/64/1071879864.db2.gz FESJIPZMCTYHTE-SLFFLAALSA-N 2 1 472.638 1.780 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504916287 1071879868 /nfs/dbraw/zinc/87/98/68/1071879868.db2.gz FESJIPZMCTYHTE-SLFFLAALSA-N 2 1 472.638 1.780 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504916287 1071879873 /nfs/dbraw/zinc/87/98/73/1071879873.db2.gz FESJIPZMCTYHTE-SLFFLAALSA-N 2 1 472.638 1.780 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001504916217 1071879966 /nfs/dbraw/zinc/87/99/66/1071879966.db2.gz BYNQGPPNARSGEB-NHCUHLMSSA-N 2 1 455.607 1.609 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001504916597 1071881274 /nfs/dbraw/zinc/88/12/74/1071881274.db2.gz HPKCFFWXZMHSST-ZWKOTPCHSA-N 2 1 468.606 1.299 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001504919885 1071891016 /nfs/dbraw/zinc/89/10/16/1071891016.db2.gz LMNQMHAPINLQRZ-FQEVSTJZSA-N 2 1 463.671 1.578 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001504919885 1071891018 /nfs/dbraw/zinc/89/10/18/1071891018.db2.gz LMNQMHAPINLQRZ-FQEVSTJZSA-N 2 1 463.671 1.578 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001504922844 1071899073 /nfs/dbraw/zinc/89/90/73/1071899073.db2.gz OZPZJYQXKILVFK-UHFFFAOYSA-N 2 1 457.623 1.268 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001504922400 1071898015 /nfs/dbraw/zinc/89/80/15/1071898015.db2.gz JAGZVJOAXJGYBI-HXUWFJFHSA-N 2 1 457.623 1.532 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001504923801 1071904291 /nfs/dbraw/zinc/90/42/91/1071904291.db2.gz JYZAXGDGFBVRQY-GBXCKJPGSA-N 2 1 458.607 1.123 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001504923801 1071904302 /nfs/dbraw/zinc/90/43/02/1071904302.db2.gz JYZAXGDGFBVRQY-GBXCKJPGSA-N 2 1 458.607 1.123 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001504923801 1071904311 /nfs/dbraw/zinc/90/43/11/1071904311.db2.gz JYZAXGDGFBVRQY-GBXCKJPGSA-N 2 1 458.607 1.123 20 0 JDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@H]1CCC[NH+]1CCCO ZINC001503618340 1071904710 /nfs/dbraw/zinc/90/47/10/1071904710.db2.gz GZNRUTWPDCBDQS-HXUWFJFHSA-N 2 1 457.623 1.734 20 0 JDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@H]1CCC[NH+]1CCCO ZINC001503618340 1071904720 /nfs/dbraw/zinc/90/47/20/1071904720.db2.gz GZNRUTWPDCBDQS-HXUWFJFHSA-N 2 1 457.623 1.734 20 0 JDADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001503618340 1071904726 /nfs/dbraw/zinc/90/47/26/1071904726.db2.gz GZNRUTWPDCBDQS-HXUWFJFHSA-N 2 1 457.623 1.734 20 0 JDADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001503618340 1071904729 /nfs/dbraw/zinc/90/47/29/1071904729.db2.gz GZNRUTWPDCBDQS-HXUWFJFHSA-N 2 1 457.623 1.734 20 0 JDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1CC[NH+](C)C1CCCC1 ZINC001503618586 1071905817 /nfs/dbraw/zinc/90/58/17/1071905817.db2.gz JEQCIGQIEDFQMU-UHFFFAOYSA-N 2 1 461.655 1.936 20 0 JDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1CC[NH+](C)C1CCCC1 ZINC001503618586 1071905824 /nfs/dbraw/zinc/90/58/24/1071905824.db2.gz JEQCIGQIEDFQMU-UHFFFAOYSA-N 2 1 461.655 1.936 20 0 JDADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)C1CCCC1 ZINC001503618586 1071905834 /nfs/dbraw/zinc/90/58/34/1071905834.db2.gz JEQCIGQIEDFQMU-UHFFFAOYSA-N 2 1 461.655 1.936 20 0 JDADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+](C)C1CCCC1 ZINC001503618586 1071905843 /nfs/dbraw/zinc/90/58/43/1071905843.db2.gz JEQCIGQIEDFQMU-UHFFFAOYSA-N 2 1 461.655 1.936 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001504924445 1071908116 /nfs/dbraw/zinc/90/81/16/1071908116.db2.gz WNDCHEHAIQXFBL-YADHBBJMSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001504924445 1071908130 /nfs/dbraw/zinc/90/81/30/1071908130.db2.gz WNDCHEHAIQXFBL-YADHBBJMSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001504924445 1071908150 /nfs/dbraw/zinc/90/81/50/1071908150.db2.gz WNDCHEHAIQXFBL-YADHBBJMSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001504924551 1071908962 /nfs/dbraw/zinc/90/89/62/1071908962.db2.gz ZRHZEGVBURHCMV-UHFFFAOYSA-N 2 1 455.607 1.279 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[NH+]1CCCCC1 ZINC001504957522 1072000972 /nfs/dbraw/zinc/00/09/72/1072000972.db2.gz KRVFSVQQGFGLPV-NZQKXSOJSA-N 2 1 450.628 1.789 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[NH+]1CCCCC1 ZINC001504957521 1072001125 /nfs/dbraw/zinc/00/11/25/1072001125.db2.gz KRVFSVQQGFGLPV-NFBKMPQASA-N 2 1 450.628 1.789 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001505001303 1072081030 /nfs/dbraw/zinc/08/10/30/1072081030.db2.gz WLSYRIQDFGMYNO-RLLQIKCJSA-N 2 1 464.636 1.887 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001505001303 1072081037 /nfs/dbraw/zinc/08/10/37/1072081037.db2.gz WLSYRIQDFGMYNO-RLLQIKCJSA-N 2 1 464.636 1.887 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001505002022 1072081480 /nfs/dbraw/zinc/08/14/80/1072081480.db2.gz YHLGBCLJOFPXKX-FSSWDIPSSA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001505002022 1072081497 /nfs/dbraw/zinc/08/14/97/1072081497.db2.gz YHLGBCLJOFPXKX-FSSWDIPSSA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001505002022 1072081503 /nfs/dbraw/zinc/08/15/03/1072081503.db2.gz YHLGBCLJOFPXKX-FSSWDIPSSA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001505002022 1072081512 /nfs/dbraw/zinc/08/15/12/1072081512.db2.gz YHLGBCLJOFPXKX-FSSWDIPSSA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001505002024 1072081613 /nfs/dbraw/zinc/08/16/13/1072081613.db2.gz YHLGBCLJOFPXKX-YPAWHYETSA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001505002024 1072081620 /nfs/dbraw/zinc/08/16/20/1072081620.db2.gz YHLGBCLJOFPXKX-YPAWHYETSA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001505002024 1072081630 /nfs/dbraw/zinc/08/16/30/1072081630.db2.gz YHLGBCLJOFPXKX-YPAWHYETSA-N 2 1 464.655 1.891 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001505002024 1072081642 /nfs/dbraw/zinc/08/16/42/1072081642.db2.gz YHLGBCLJOFPXKX-YPAWHYETSA-N 2 1 464.655 1.891 20 0 JDADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC001465471914 1067803134 /nfs/dbraw/zinc/80/31/34/1067803134.db2.gz DCEHZVULBFIWKE-IRLDBZIGSA-N 2 1 457.619 1.584 20 0 JDADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC1=O ZINC001465471914 1067803143 /nfs/dbraw/zinc/80/31/43/1067803143.db2.gz DCEHZVULBFIWKE-IRLDBZIGSA-N 2 1 457.619 1.584 20 0 JDADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC1=O ZINC001465471914 1067803147 /nfs/dbraw/zinc/80/31/47/1067803147.db2.gz DCEHZVULBFIWKE-IRLDBZIGSA-N 2 1 457.619 1.584 20 0 JDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC001465938731 1067845416 /nfs/dbraw/zinc/84/54/16/1067845416.db2.gz NJCGXGMOJKHALY-GOSISDBHSA-N 2 1 455.625 1.825 20 0 JDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC001465938732 1067845477 /nfs/dbraw/zinc/84/54/77/1067845477.db2.gz NJCGXGMOJKHALY-SFHVURJKSA-N 2 1 455.625 1.825 20 0 JDADMP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC001466171630 1067866965 /nfs/dbraw/zinc/86/69/65/1067866965.db2.gz WVCZIIRSYGIDEB-DHIUTWEWSA-N 2 1 458.603 1.662 20 0 JDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCNS(=O)(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001467382638 1068010393 /nfs/dbraw/zinc/01/03/93/1068010393.db2.gz HWUXANLEIRGNFL-UHFFFAOYSA-N 2 1 458.575 1.556 20 0 JDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC001467603971 1068036656 /nfs/dbraw/zinc/03/66/56/1068036656.db2.gz RDXOABOQTIJXSS-UHFFFAOYSA-N 2 1 458.651 1.616 20 0 JDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001467906943 1068091538 /nfs/dbraw/zinc/09/15/38/1068091538.db2.gz KRVQWTBGBQDLRC-VWLOTQADSA-N 2 1 452.603 1.612 20 0 JDADMP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001468364103 1068258846 /nfs/dbraw/zinc/25/88/46/1068258846.db2.gz YQWXUWJOUAJEQM-UHFFFAOYSA-N 2 1 457.623 1.109 20 0 JDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001468453196 1068283055 /nfs/dbraw/zinc/28/30/55/1068283055.db2.gz QPKADALPGLJDHD-KRWDZBQOSA-N 2 1 451.534 1.225 20 0 JDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001468453196 1068283076 /nfs/dbraw/zinc/28/30/76/1068283076.db2.gz QPKADALPGLJDHD-KRWDZBQOSA-N 2 1 451.534 1.225 20 0 JDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001468949925 1068402041 /nfs/dbraw/zinc/40/20/41/1068402041.db2.gz FNPQQRXICZOSMO-DNVJHFABSA-N 2 1 457.667 1.792 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001470026704 1068668535 /nfs/dbraw/zinc/66/85/35/1068668535.db2.gz QPNUWIOMTZZRDD-IBGZPJMESA-N 2 1 450.628 1.998 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001470026704 1068668575 /nfs/dbraw/zinc/66/85/75/1068668575.db2.gz QPNUWIOMTZZRDD-IBGZPJMESA-N 2 1 450.628 1.998 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC001470772572 1068808485 /nfs/dbraw/zinc/80/84/85/1068808485.db2.gz RQVVFRSSCHQOFX-HNNXBMFYSA-N 2 1 459.579 1.256 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC001470772572 1068808487 /nfs/dbraw/zinc/80/84/87/1068808487.db2.gz RQVVFRSSCHQOFX-HNNXBMFYSA-N 2 1 459.579 1.256 20 0 JDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001471182308 1068840916 /nfs/dbraw/zinc/84/09/16/1068840916.db2.gz KJFNYJYWLRNBQU-HSZRJFAPSA-N 2 1 458.651 1.247 20 0 JDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001471182308 1068840918 /nfs/dbraw/zinc/84/09/18/1068840918.db2.gz KJFNYJYWLRNBQU-HSZRJFAPSA-N 2 1 458.651 1.247 20 0 JDADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001471183352 1068841109 /nfs/dbraw/zinc/84/11/09/1068841109.db2.gz XYHUSCWTDOUGNS-QHCPKHFHSA-N 2 1 451.656 1.317 20 0 JDADMP CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001499462664 1069003942 /nfs/dbraw/zinc/00/39/42/1069003942.db2.gz IAILEIOZHWYJDI-VQTJNVASSA-N 2 1 469.700 1.931 20 0 JDADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001499462708 1069004609 /nfs/dbraw/zinc/00/46/09/1069004609.db2.gz IRLRYBPDRIKKGT-LEWJYISDSA-N 2 1 461.655 1.839 20 0 JDADMP CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001499462708 1069004618 /nfs/dbraw/zinc/00/46/18/1069004618.db2.gz IRLRYBPDRIKKGT-LEWJYISDSA-N 2 1 461.655 1.839 20 0 JDADMP CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC[N@H+]1CCOC ZINC001499639708 1069021609 /nfs/dbraw/zinc/02/16/09/1069021609.db2.gz PYENPJNVHNCLBU-FCHUYYIVSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH+]1CCOC ZINC001499639708 1069021624 /nfs/dbraw/zinc/02/16/24/1069021624.db2.gz PYENPJNVHNCLBU-FCHUYYIVSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC[NH+]1CCOC ZINC001499639708 1069021637 /nfs/dbraw/zinc/02/16/37/1069021637.db2.gz PYENPJNVHNCLBU-FCHUYYIVSA-N 2 1 491.681 1.562 20 0 JDADMP CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC001499642393 1069023900 /nfs/dbraw/zinc/02/39/00/1069023900.db2.gz LXOVXIYNJBWGIW-FQEVSTJZSA-N 2 1 479.670 1.199 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCC(C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC001499660948 1069033581 /nfs/dbraw/zinc/03/35/81/1069033581.db2.gz RJVWSNFERAZLRQ-NJDAHSKKSA-N 2 1 497.710 1.167 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC001499712179 1069046454 /nfs/dbraw/zinc/04/64/54/1069046454.db2.gz SLSSIIJDTDGRBN-GMAHTHKFSA-N 2 1 470.666 1.913 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499716345 1069048042 /nfs/dbraw/zinc/04/80/42/1069048042.db2.gz QSTWQHGDTDIZMM-TZIWHRDSSA-N 2 1 460.627 1.194 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499716341 1069048276 /nfs/dbraw/zinc/04/82/76/1069048276.db2.gz QSTWQHGDTDIZMM-FPOVZHCZSA-N 2 1 460.627 1.194 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499718972 1069049168 /nfs/dbraw/zinc/04/91/68/1069049168.db2.gz DJRRCNWQXCVSDK-UXHICEINSA-N 2 1 458.611 1.250 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001499719350 1069049849 /nfs/dbraw/zinc/04/98/49/1069049849.db2.gz HRYJANMLTDHTFA-GCJKJVERSA-N 2 1 460.652 1.719 20 0 JDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001473142868 1069079643 /nfs/dbraw/zinc/07/96/43/1069079643.db2.gz BCOXKZIOSJOYOD-OYRHEFFESA-N 2 1 451.656 1.946 20 0 JDADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001473148286 1069081507 /nfs/dbraw/zinc/08/15/07/1069081507.db2.gz UDNQROYMSZYIQF-OAQYLSRUSA-N 2 1 450.649 1.971 20 0 JDADMP C[N@H+](CCN1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1)Cc1ccccc1 ZINC001473151275 1069082481 /nfs/dbraw/zinc/08/24/81/1069082481.db2.gz AQLOGRGSIILXTE-HSZRJFAPSA-N 2 1 451.571 1.614 20 0 JDADMP C[N@@H+](CCN1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1)Cc1ccccc1 ZINC001473151275 1069082487 /nfs/dbraw/zinc/08/24/87/1069082487.db2.gz AQLOGRGSIILXTE-HSZRJFAPSA-N 2 1 451.571 1.614 20 0 JDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)CC1 ZINC001473163334 1069086731 /nfs/dbraw/zinc/08/67/31/1069086731.db2.gz LMBMNBDEFIRHMZ-NRFANRHFSA-N 2 1 457.575 1.130 20 0 JDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001473248410 1069105945 /nfs/dbraw/zinc/10/59/45/1069105945.db2.gz RJTBQRVOGACVAI-HXUWFJFHSA-N 2 1 457.619 1.305 20 0 JDADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001473461619 1069155580 /nfs/dbraw/zinc/15/55/80/1069155580.db2.gz BMDIOUXLFCZLTH-RGNNIMSVSA-N 2 1 458.628 1.858 20 0 JDADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001473461619 1069155594 /nfs/dbraw/zinc/15/55/94/1069155594.db2.gz BMDIOUXLFCZLTH-RGNNIMSVSA-N 2 1 458.628 1.858 20 0 JDADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001473461620 1069157137 /nfs/dbraw/zinc/15/71/37/1069157137.db2.gz BMDIOUXLFCZLTH-UYSKRRQASA-N 2 1 458.628 1.858 20 0 JDADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001473461620 1069157150 /nfs/dbraw/zinc/15/71/50/1069157150.db2.gz BMDIOUXLFCZLTH-UYSKRRQASA-N 2 1 458.628 1.858 20 0 JDADMP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1)c1ccccc1 ZINC001473680222 1069208308 /nfs/dbraw/zinc/20/83/08/1069208308.db2.gz NRTUUQYZTQHYNK-QFIPXVFZSA-N 2 1 452.603 1.912 20 0 JDADMP CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001500256463 1069222560 /nfs/dbraw/zinc/22/25/60/1069222560.db2.gz BRTMSRXGRMOYAJ-HXUWFJFHSA-N 2 1 472.638 1.783 20 0 JDADMP CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001500256463 1069222569 /nfs/dbraw/zinc/22/25/69/1069222569.db2.gz BRTMSRXGRMOYAJ-HXUWFJFHSA-N 2 1 472.638 1.783 20 0 JDADMP CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001500256463 1069222579 /nfs/dbraw/zinc/22/25/79/1069222579.db2.gz BRTMSRXGRMOYAJ-HXUWFJFHSA-N 2 1 472.638 1.783 20 0 JDADMP CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001500256463 1069222592 /nfs/dbraw/zinc/22/25/92/1069222592.db2.gz BRTMSRXGRMOYAJ-HXUWFJFHSA-N 2 1 472.638 1.783 20 0 JDADMP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001500270101 1069230955 /nfs/dbraw/zinc/23/09/55/1069230955.db2.gz XDDSKYFBELLGDZ-FCHUYYIVSA-N 2 1 477.698 1.745 20 0 JDADMP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270101 1069230964 /nfs/dbraw/zinc/23/09/64/1069230964.db2.gz XDDSKYFBELLGDZ-FCHUYYIVSA-N 2 1 477.698 1.745 20 0 JDADMP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270101 1069230974 /nfs/dbraw/zinc/23/09/74/1069230974.db2.gz XDDSKYFBELLGDZ-FCHUYYIVSA-N 2 1 477.698 1.745 20 0 JDADMP CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001500270119 1069231380 /nfs/dbraw/zinc/23/13/80/1069231380.db2.gz XDDSKYFBELLGDZ-VXKWHMMOSA-N 2 1 477.698 1.745 20 0 JDADMP CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270119 1069231390 /nfs/dbraw/zinc/23/13/90/1069231390.db2.gz XDDSKYFBELLGDZ-VXKWHMMOSA-N 2 1 477.698 1.745 20 0 JDADMP CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270119 1069231399 /nfs/dbraw/zinc/23/13/99/1069231399.db2.gz XDDSKYFBELLGDZ-VXKWHMMOSA-N 2 1 477.698 1.745 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC001500714995 1069301041 /nfs/dbraw/zinc/30/10/41/1069301041.db2.gz COXZWWMASJBXCU-FQEVSTJZSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001500714995 1069301058 /nfs/dbraw/zinc/30/10/58/1069301058.db2.gz COXZWWMASJBXCU-FQEVSTJZSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001500714995 1069301070 /nfs/dbraw/zinc/30/10/70/1069301070.db2.gz COXZWWMASJBXCU-FQEVSTJZSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C)C(C)(C)C2)C1 ZINC001500714995 1069301078 /nfs/dbraw/zinc/30/10/78/1069301078.db2.gz COXZWWMASJBXCU-FQEVSTJZSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C)C(C)(C)C2)C1 ZINC001500714995 1069301097 /nfs/dbraw/zinc/30/10/97/1069301097.db2.gz COXZWWMASJBXCU-FQEVSTJZSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001500714995 1069301111 /nfs/dbraw/zinc/30/11/11/1069301111.db2.gz COXZWWMASJBXCU-FQEVSTJZSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001500714995 1069301126 /nfs/dbraw/zinc/30/11/26/1069301126.db2.gz COXZWWMASJBXCU-FQEVSTJZSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC001500714996 1069301397 /nfs/dbraw/zinc/30/13/97/1069301397.db2.gz COXZWWMASJBXCU-HXUWFJFHSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001500714996 1069301413 /nfs/dbraw/zinc/30/14/13/1069301413.db2.gz COXZWWMASJBXCU-HXUWFJFHSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001500714996 1069301428 /nfs/dbraw/zinc/30/14/28/1069301428.db2.gz COXZWWMASJBXCU-HXUWFJFHSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C)C(C)(C)C2)C1 ZINC001500714996 1069301446 /nfs/dbraw/zinc/30/14/46/1069301446.db2.gz COXZWWMASJBXCU-HXUWFJFHSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C)C(C)(C)C2)C1 ZINC001500714996 1069301460 /nfs/dbraw/zinc/30/14/60/1069301460.db2.gz COXZWWMASJBXCU-HXUWFJFHSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001500714996 1069301478 /nfs/dbraw/zinc/30/14/78/1069301478.db2.gz COXZWWMASJBXCU-HXUWFJFHSA-N 2 1 457.671 1.873 20 0 JDADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001500714996 1069301493 /nfs/dbraw/zinc/30/14/93/1069301493.db2.gz COXZWWMASJBXCU-HXUWFJFHSA-N 2 1 457.671 1.873 20 0 JDADMP CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]3CCC[N@H+]3CC)ccc2O1 ZINC001474915147 1069303958 /nfs/dbraw/zinc/30/39/58/1069303958.db2.gz NVXNMFODGZSYAS-GHTZIAJQSA-N 2 1 453.605 1.590 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001500721606 1069305245 /nfs/dbraw/zinc/30/52/45/1069305245.db2.gz ZXKAUWYTJCQVQQ-DFQSSKMNSA-N 2 1 452.669 1.689 20 0 JDADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001500726052 1069306107 /nfs/dbraw/zinc/30/61/07/1069306107.db2.gz TVQVVBSPARQWNC-OAQYLSRUSA-N 2 1 475.682 1.804 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CC=CCC3)C[C@H]2C)CC1 ZINC001508230434 1072993820 /nfs/dbraw/zinc/99/38/20/1072993820.db2.gz COGSGVFXOMTRQN-IFMALSPDSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CC=CCC3)C[C@H]2C)CC1 ZINC001508230434 1072993831 /nfs/dbraw/zinc/99/38/31/1072993831.db2.gz COGSGVFXOMTRQN-IFMALSPDSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CC=CCC3)C[C@H]2C)CC1 ZINC001508230434 1072993842 /nfs/dbraw/zinc/99/38/42/1072993842.db2.gz COGSGVFXOMTRQN-IFMALSPDSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CC=CCC3)C[C@H]2C)CC1 ZINC001508230436 1072994441 /nfs/dbraw/zinc/99/44/41/1072994441.db2.gz COGSGVFXOMTRQN-IRLDBZIGSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CC=CCC3)C[C@H]2C)CC1 ZINC001508230436 1072994446 /nfs/dbraw/zinc/99/44/46/1072994446.db2.gz COGSGVFXOMTRQN-IRLDBZIGSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CC=CCC3)C[C@H]2C)CC1 ZINC001508230436 1072994458 /nfs/dbraw/zinc/99/44/58/1072994458.db2.gz COGSGVFXOMTRQN-IRLDBZIGSA-N 2 1 486.665 1.057 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508230869 1072994937 /nfs/dbraw/zinc/99/49/37/1072994937.db2.gz FBSCUCWFUIMNMD-GGAORHGYSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508230869 1072994939 /nfs/dbraw/zinc/99/49/39/1072994939.db2.gz FBSCUCWFUIMNMD-GGAORHGYSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508230869 1072994944 /nfs/dbraw/zinc/99/49/44/1072994944.db2.gz FBSCUCWFUIMNMD-GGAORHGYSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508230869 1072994947 /nfs/dbraw/zinc/99/49/47/1072994947.db2.gz FBSCUCWFUIMNMD-GGAORHGYSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508230886 1072995111 /nfs/dbraw/zinc/99/51/11/1072995111.db2.gz FBSCUCWFUIMNMD-JTHBVZDNSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508230886 1072995130 /nfs/dbraw/zinc/99/51/30/1072995130.db2.gz FBSCUCWFUIMNMD-JTHBVZDNSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508230886 1072995138 /nfs/dbraw/zinc/99/51/38/1072995138.db2.gz FBSCUCWFUIMNMD-JTHBVZDNSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508230886 1072995154 /nfs/dbraw/zinc/99/51/54/1072995154.db2.gz FBSCUCWFUIMNMD-JTHBVZDNSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508231803 1072997348 /nfs/dbraw/zinc/99/73/48/1072997348.db2.gz IWTTYZHJWJJBIT-IHFIDZABSA-N 2 1 475.682 1.853 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@@H]2C)CC1 ZINC001508233673 1073002027 /nfs/dbraw/zinc/00/20/27/1073002027.db2.gz RCMDSPZMLKVIJX-NBGIEHNGSA-N 2 1 483.661 1.954 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508235136 1073005974 /nfs/dbraw/zinc/00/59/74/1073005974.db2.gz XDJDOJVNSXABSL-IFMALSPDSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508235136 1073005987 /nfs/dbraw/zinc/00/59/87/1073005987.db2.gz XDJDOJVNSXABSL-IFMALSPDSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508235136 1073005997 /nfs/dbraw/zinc/00/59/97/1073005997.db2.gz XDJDOJVNSXABSL-IFMALSPDSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508235136 1073006012 /nfs/dbraw/zinc/00/60/12/1073006012.db2.gz XDJDOJVNSXABSL-IFMALSPDSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CC(C)(C)C[NH+](C)C)C[C@H]2C)CC1 ZINC001508277995 1073052644 /nfs/dbraw/zinc/05/26/44/1073052644.db2.gz ZVEDOQKCGVDGDF-HLAWJBBLSA-N 2 1 461.655 1.359 20 0 JDADMP CC(C)(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCOCC2)CC1 ZINC001508618681 1073286826 /nfs/dbraw/zinc/28/68/26/1073286826.db2.gz GPSUOIURWJWPHR-UHFFFAOYSA-N 2 1 456.595 1.568 20 0 JDADMP CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001509146932 1073513218 /nfs/dbraw/zinc/51/32/18/1073513218.db2.gz LWVREAQQYBWVOS-VWLOTQADSA-N 2 1 455.651 1.802 20 0 JDADMP CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001509252991 1073546671 /nfs/dbraw/zinc/54/66/71/1073546671.db2.gz GFXPRUPCJZJNEC-FQEVSTJZSA-N 2 1 462.561 1.634 20 0 JDADMP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC001509433520 1073615181 /nfs/dbraw/zinc/61/51/81/1073615181.db2.gz JMLRJOYDLAPWQJ-JOCHJYFZSA-N 2 1 475.682 1.893 20 0 JDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC001509433520 1073615185 /nfs/dbraw/zinc/61/51/85/1073615185.db2.gz JMLRJOYDLAPWQJ-JOCHJYFZSA-N 2 1 475.682 1.893 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC001509433520 1073615191 /nfs/dbraw/zinc/61/51/91/1073615191.db2.gz JMLRJOYDLAPWQJ-JOCHJYFZSA-N 2 1 475.682 1.893 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC001509433520 1073615198 /nfs/dbraw/zinc/61/51/98/1073615198.db2.gz JMLRJOYDLAPWQJ-JOCHJYFZSA-N 2 1 475.682 1.893 20 0 JDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC001509437103 1073617867 /nfs/dbraw/zinc/61/78/67/1073617867.db2.gz UJODWNCSGGCWJE-RBBKRZOGSA-N 2 1 491.681 1.463 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC001509437103 1073617876 /nfs/dbraw/zinc/61/78/76/1073617876.db2.gz UJODWNCSGGCWJE-RBBKRZOGSA-N 2 1 491.681 1.463 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC001509437103 1073617884 /nfs/dbraw/zinc/61/78/84/1073617884.db2.gz UJODWNCSGGCWJE-RBBKRZOGSA-N 2 1 491.681 1.463 20 0 JDADMP CC(C)[N@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001509510806 1073657669 /nfs/dbraw/zinc/65/76/69/1073657669.db2.gz IOFFWWFNFXFSPR-GOSISDBHSA-N 2 1 461.636 1.521 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001509510806 1073657677 /nfs/dbraw/zinc/65/76/77/1073657677.db2.gz IOFFWWFNFXFSPR-GOSISDBHSA-N 2 1 461.636 1.521 20 0 JDADMP CC(C)[NH+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001509510806 1073657684 /nfs/dbraw/zinc/65/76/84/1073657684.db2.gz IOFFWWFNFXFSPR-GOSISDBHSA-N 2 1 461.636 1.521 20 0 JDADMP CC(C)[NH+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001509510806 1073657697 /nfs/dbraw/zinc/65/76/97/1073657697.db2.gz IOFFWWFNFXFSPR-GOSISDBHSA-N 2 1 461.636 1.521 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509513995 1073658220 /nfs/dbraw/zinc/65/82/20/1073658220.db2.gz OBYOIZVUWUWRMJ-BDTNDASRSA-N 2 1 474.698 1.954 20 0 JDADMP CC(C)[NH+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509513995 1073658229 /nfs/dbraw/zinc/65/82/29/1073658229.db2.gz OBYOIZVUWUWRMJ-BDTNDASRSA-N 2 1 474.698 1.954 20 0 JDADMP CC(C)[NH+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509513995 1073658241 /nfs/dbraw/zinc/65/82/41/1073658241.db2.gz OBYOIZVUWUWRMJ-BDTNDASRSA-N 2 1 474.698 1.954 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001509513274 1073658638 /nfs/dbraw/zinc/65/86/38/1073658638.db2.gz MTYARLVOXGSZSD-JOCHJYFZSA-N 2 1 474.698 1.954 20 0 JDADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001509527534 1073668197 /nfs/dbraw/zinc/66/81/97/1073668197.db2.gz LIPALWWQOCDKQN-FDFHNCONSA-N 2 1 495.738 1.515 20 0 JDADMP CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(C)C ZINC001509540843 1073672114 /nfs/dbraw/zinc/67/21/14/1073672114.db2.gz LFGQJJQXWORPSS-LJQANCHMSA-N 2 1 456.595 1.565 20 0 JDADMP CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(C)C ZINC001509540843 1073672128 /nfs/dbraw/zinc/67/21/28/1073672128.db2.gz LFGQJJQXWORPSS-LJQANCHMSA-N 2 1 456.595 1.565 20 0 JDADMP CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)C ZINC001509550233 1073676094 /nfs/dbraw/zinc/67/60/94/1073676094.db2.gz WDAZMRISQJSZIP-RTWAWAEBSA-N 2 1 461.655 1.644 20 0 JDADMP CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)C ZINC001509550237 1073676138 /nfs/dbraw/zinc/67/61/38/1073676138.db2.gz WDAZMRISQJSZIP-SFTDATJTSA-N 2 1 461.655 1.644 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561306 1073683063 /nfs/dbraw/zinc/68/30/63/1073683063.db2.gz RAEBAGOMRVMXNG-VQTJNVASSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561306 1073683071 /nfs/dbraw/zinc/68/30/71/1073683071.db2.gz RAEBAGOMRVMXNG-VQTJNVASSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561306 1073683078 /nfs/dbraw/zinc/68/30/78/1073683078.db2.gz RAEBAGOMRVMXNG-VQTJNVASSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001509582820 1073707641 /nfs/dbraw/zinc/70/76/41/1073707641.db2.gz WEQTYFIPTCMAQC-LJQANCHMSA-N 2 1 475.663 1.647 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001509612926 1073736701 /nfs/dbraw/zinc/73/67/01/1073736701.db2.gz DTIWGJLUXWPNNE-PZJWPPBQSA-N 2 1 461.655 1.838 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001509612926 1073736719 /nfs/dbraw/zinc/73/67/19/1073736719.db2.gz DTIWGJLUXWPNNE-PZJWPPBQSA-N 2 1 461.655 1.838 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4CCC(F)(C[NH3+])CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164391766 718813215 /nfs/dbraw/zinc/81/32/15/718813215.db2.gz IGPAFRIHASKMIU-UHFFFAOYSA-N 2 1 463.627 1.543 20 0 JDADMP C[NH+]1CCN(c2ccc(N([C@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)nn2)CC1 ZINC001164682304 719592038 /nfs/dbraw/zinc/59/20/38/719592038.db2.gz BKKXUAGFNFSDSU-FQEVSTJZSA-N 2 1 456.616 1.956 20 0 JDADMP CC(C)[N@H+]1[C@@H]2CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843520 720592199 /nfs/dbraw/zinc/59/21/99/720592199.db2.gz XPUNPRHMDCNZJE-CNNODRBYSA-N 2 1 452.607 1.491 20 0 JDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843520 720592202 /nfs/dbraw/zinc/59/22/02/720592202.db2.gz XPUNPRHMDCNZJE-CNNODRBYSA-N 2 1 452.607 1.491 20 0 JDADMP CC(C)[N@H+]1[C@@H]2CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843523 720592837 /nfs/dbraw/zinc/59/28/37/720592837.db2.gz XPUNPRHMDCNZJE-XQBPLPMBSA-N 2 1 452.607 1.491 20 0 JDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843523 720592850 /nfs/dbraw/zinc/59/28/50/720592850.db2.gz XPUNPRHMDCNZJE-XQBPLPMBSA-N 2 1 452.607 1.491 20 0 JDADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@@H]21 ZINC001164843521 720593738 /nfs/dbraw/zinc/59/37/38/720593738.db2.gz XPUNPRHMDCNZJE-DXIQSLLYSA-N 2 1 452.607 1.491 20 0 JDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@@H]21 ZINC001164843521 720593746 /nfs/dbraw/zinc/59/37/46/720593746.db2.gz XPUNPRHMDCNZJE-DXIQSLLYSA-N 2 1 452.607 1.491 20 0 JDADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164844228 720660029 /nfs/dbraw/zinc/66/00/29/720660029.db2.gz YUNOOLHQNDKZMZ-FQEVSTJZSA-N 2 1 485.654 1.828 20 0 JDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001164786122 721358095 /nfs/dbraw/zinc/35/80/95/721358095.db2.gz WGSIZAHUUMLIAY-VWLOTQADSA-N 2 1 468.602 1.851 20 0 JDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001164786122 721358098 /nfs/dbraw/zinc/35/80/98/721358098.db2.gz WGSIZAHUUMLIAY-VWLOTQADSA-N 2 1 468.602 1.851 20 0 JDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164786729 721451279 /nfs/dbraw/zinc/45/12/79/721451279.db2.gz NKELXNIUMGKIIK-JOCHJYFZSA-N 2 1 458.651 1.962 20 0 JDADMP C[N@@H+](Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793530 721475369 /nfs/dbraw/zinc/47/53/69/721475369.db2.gz WXZLBNXNIYVUHE-WOJBJXKFSA-N 2 1 454.600 1.156 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001500783879 1069310925 /nfs/dbraw/zinc/31/09/25/1069310925.db2.gz DIAPGNBFTJHIPT-NRFANRHFSA-N 2 1 454.623 1.815 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001500783879 1069310891 /nfs/dbraw/zinc/31/08/91/1069310891.db2.gz DIAPGNBFTJHIPT-NRFANRHFSA-N 2 1 454.623 1.815 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001500783879 1069310908 /nfs/dbraw/zinc/31/09/08/1069310908.db2.gz DIAPGNBFTJHIPT-NRFANRHFSA-N 2 1 454.623 1.815 20 0 JDADMP CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001500921805 1069330248 /nfs/dbraw/zinc/33/02/48/1069330248.db2.gz LOERKPHFPSPMBK-MOPGFXCFSA-N 2 1 455.673 1.398 20 0 JDADMP CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001500928092 1069331787 /nfs/dbraw/zinc/33/17/87/1069331787.db2.gz LGBGRWKECIPEGG-FQEVSTJZSA-N 2 1 490.674 1.849 20 0 JDADMP CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001500928092 1069331804 /nfs/dbraw/zinc/33/18/04/1069331804.db2.gz LGBGRWKECIPEGG-FQEVSTJZSA-N 2 1 490.674 1.849 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001500965484 1069342240 /nfs/dbraw/zinc/34/22/40/1069342240.db2.gz CTNYOTHDZMLUFR-DNQXCXABSA-N 2 1 464.655 1.696 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001501766943 1069618767 /nfs/dbraw/zinc/61/87/67/1069618767.db2.gz GAUYGUTYXOVWFT-HXUWFJFHSA-N 2 1 476.670 1.281 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001501766943 1069618793 /nfs/dbraw/zinc/61/87/93/1069618793.db2.gz GAUYGUTYXOVWFT-HXUWFJFHSA-N 2 1 476.670 1.281 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001501766943 1069618810 /nfs/dbraw/zinc/61/88/10/1069618810.db2.gz GAUYGUTYXOVWFT-HXUWFJFHSA-N 2 1 476.670 1.281 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001501766943 1069618843 /nfs/dbraw/zinc/61/88/43/1069618843.db2.gz GAUYGUTYXOVWFT-HXUWFJFHSA-N 2 1 476.670 1.281 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001501768349 1069622876 /nfs/dbraw/zinc/62/28/76/1069622876.db2.gz ZWCLINBWNRRYNJ-OAQYLSRUSA-N 2 1 488.681 1.235 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001501768349 1069622892 /nfs/dbraw/zinc/62/28/92/1069622892.db2.gz ZWCLINBWNRRYNJ-OAQYLSRUSA-N 2 1 488.681 1.235 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501769795 1069626086 /nfs/dbraw/zinc/62/60/86/1069626086.db2.gz KEZQWJPWULNVQD-UHFFFAOYSA-N 2 1 498.676 1.567 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501769795 1069626121 /nfs/dbraw/zinc/62/61/21/1069626121.db2.gz KEZQWJPWULNVQD-UHFFFAOYSA-N 2 1 498.676 1.567 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501773470 1069631256 /nfs/dbraw/zinc/63/12/56/1069631256.db2.gz AGZVJCBDMHMWGV-UHFFFAOYSA-N 2 1 461.655 1.383 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501773470 1069631297 /nfs/dbraw/zinc/63/12/97/1069631297.db2.gz AGZVJCBDMHMWGV-UHFFFAOYSA-N 2 1 461.655 1.383 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001501775208 1069644193 /nfs/dbraw/zinc/64/41/93/1069644193.db2.gz RDTSZXIYZWACMX-RTWAWAEBSA-N 2 1 461.655 1.503 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001501775208 1069644221 /nfs/dbraw/zinc/64/42/21/1069644221.db2.gz RDTSZXIYZWACMX-RTWAWAEBSA-N 2 1 461.655 1.503 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCCC2)CC1 ZINC001501779172 1069662374 /nfs/dbraw/zinc/66/23/74/1069662374.db2.gz WZLPRFUNXCQZGI-UHFFFAOYSA-N 2 1 468.650 1.740 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCCC2)CC1 ZINC001501779172 1069662403 /nfs/dbraw/zinc/66/24/03/1069662403.db2.gz WZLPRFUNXCQZGI-UHFFFAOYSA-N 2 1 468.650 1.740 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001501793342 1069719594 /nfs/dbraw/zinc/71/95/94/1069719594.db2.gz YYJVBYAEBOWIIC-HXUWFJFHSA-N 2 1 471.654 1.690 20 0 JDADMP COC1CC[NH+](CCNC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)CC1 ZINC001476606941 1069753926 /nfs/dbraw/zinc/75/39/26/1069753926.db2.gz DOKAYIPVECQNKH-UHFFFAOYSA-N 2 1 455.401 1.828 20 0 JDADMP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001501896123 1069757787 /nfs/dbraw/zinc/75/77/87/1069757787.db2.gz YDLHWECMFTYAMY-MSOLQXFVSA-N 2 1 452.669 1.974 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001501903578 1069770186 /nfs/dbraw/zinc/77/01/86/1069770186.db2.gz BFRMKGMFGRAMLA-SZPZYZBQSA-N 2 1 498.676 1.830 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001501903675 1069773417 /nfs/dbraw/zinc/77/34/17/1069773417.db2.gz FKJRBLCPLFVVPQ-OAQYLSRUSA-N 2 1 483.665 1.846 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001501903851 1069775691 /nfs/dbraw/zinc/77/56/91/1069775691.db2.gz LKMONAIQJXPWRZ-NHCUHLMSSA-N 2 1 485.681 1.789 20 0 JDADMP CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951573 1069805849 /nfs/dbraw/zinc/80/58/49/1069805849.db2.gz BGXAOSOPNZRGHR-OFNKIYASSA-N 2 1 483.665 1.846 20 0 JDADMP COc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC001477238221 1069805968 /nfs/dbraw/zinc/80/59/68/1069805968.db2.gz UEQGUHULSHFCQM-UPVQGACJSA-N 2 1 459.635 1.928 20 0 JDADMP COc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC001477238219 1069805986 /nfs/dbraw/zinc/80/59/86/1069805986.db2.gz UEQGUHULSHFCQM-ISKFKSNPSA-N 2 1 459.635 1.928 20 0 JDADMP CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001501949752 1069806082 /nfs/dbraw/zinc/80/60/82/1069806082.db2.gz SHPKJWKWARYVGT-OAQYLSRUSA-N 2 1 454.623 1.815 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001501965223 1069808847 /nfs/dbraw/zinc/80/88/47/1069808847.db2.gz RODPGCYZBQCFSB-CEMLEFRQSA-N 2 1 461.655 1.850 20 0 JDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C[C@H](C)O1 ZINC001477408883 1069820442 /nfs/dbraw/zinc/82/04/42/1069820442.db2.gz KXVXSSVEBIJRQA-OALUTQOASA-N 2 1 453.672 2.000 20 0 JDADMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cn2)CC1 ZINC001477413095 1069821218 /nfs/dbraw/zinc/82/12/18/1069821218.db2.gz JGQBCXLDMJLDRU-PKTZIBPZSA-N 2 1 452.603 1.516 20 0 JDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[NH+]4CC(=O)N(C)C)c2)CCO1 ZINC001477573628 1069834550 /nfs/dbraw/zinc/83/45/50/1069834550.db2.gz VCUHHHKGNGUHHY-FNXHNPQUSA-N 2 1 457.619 1.790 20 0 JDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[NH+]4CC(=O)N(C)C)c2)CCO1 ZINC001477573628 1069834551 /nfs/dbraw/zinc/83/45/51/1069834551.db2.gz VCUHHHKGNGUHHY-FNXHNPQUSA-N 2 1 457.619 1.790 20 0 JDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)c2)CCO1 ZINC001477573628 1069834553 /nfs/dbraw/zinc/83/45/53/1069834553.db2.gz VCUHHHKGNGUHHY-FNXHNPQUSA-N 2 1 457.619 1.790 20 0 JDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)c2)CCO1 ZINC001477573628 1069834556 /nfs/dbraw/zinc/83/45/56/1069834556.db2.gz VCUHHHKGNGUHHY-FNXHNPQUSA-N 2 1 457.619 1.790 20 0 JDADMP CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001502185664 1069846301 /nfs/dbraw/zinc/84/63/01/1069846301.db2.gz LSVATURLJVGUNQ-VQTJNVASSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001502185664 1069846303 /nfs/dbraw/zinc/84/63/03/1069846303.db2.gz LSVATURLJVGUNQ-VQTJNVASSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC001502185662 1069846486 /nfs/dbraw/zinc/84/64/86/1069846486.db2.gz LSVATURLJVGUNQ-PMACEKPBSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC001502185662 1069846489 /nfs/dbraw/zinc/84/64/89/1069846489.db2.gz LSVATURLJVGUNQ-PMACEKPBSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C(C)C ZINC001502193721 1069849729 /nfs/dbraw/zinc/84/97/29/1069849729.db2.gz NPJLUVIXRIZONH-NRFANRHFSA-N 2 1 454.623 1.813 20 0 JDADMP CC[NH+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC001502193721 1069849733 /nfs/dbraw/zinc/84/97/33/1069849733.db2.gz NPJLUVIXRIZONH-NRFANRHFSA-N 2 1 454.623 1.813 20 0 JDADMP CC[NH+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)C ZINC001502193721 1069849736 /nfs/dbraw/zinc/84/97/36/1069849736.db2.gz NPJLUVIXRIZONH-NRFANRHFSA-N 2 1 454.623 1.813 20 0 JDADMP CC[N@H+](CCn1c(-c2cnccn2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502195169 1069850995 /nfs/dbraw/zinc/85/09/95/1069850995.db2.gz GXFRGXKOUNUBOT-INIZCTEOSA-N 2 1 454.501 1.530 20 0 JDADMP CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502195169 1069850996 /nfs/dbraw/zinc/85/09/96/1069850996.db2.gz GXFRGXKOUNUBOT-INIZCTEOSA-N 2 1 454.501 1.530 20 0 JDADMP CC[NH+](CCn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502195169 1069850997 /nfs/dbraw/zinc/85/09/97/1069850997.db2.gz GXFRGXKOUNUBOT-INIZCTEOSA-N 2 1 454.501 1.530 20 0 JDADMP CC[NH+](CCn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502195169 1069850998 /nfs/dbraw/zinc/85/09/98/1069850998.db2.gz GXFRGXKOUNUBOT-INIZCTEOSA-N 2 1 454.501 1.530 20 0 JDADMP CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502203448 1069856994 /nfs/dbraw/zinc/85/69/94/1069856994.db2.gz MIRWEFSCENIKSI-KRWDZBQOSA-N 2 1 473.544 1.196 20 0 JDADMP CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502203448 1069856998 /nfs/dbraw/zinc/85/69/98/1069856998.db2.gz MIRWEFSCENIKSI-KRWDZBQOSA-N 2 1 473.544 1.196 20 0 JDADMP CC[NH+](CCn1c(CN2CCCC2=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502203448 1069857001 /nfs/dbraw/zinc/85/70/01/1069857001.db2.gz MIRWEFSCENIKSI-KRWDZBQOSA-N 2 1 473.544 1.196 20 0 JDADMP CC[NH+](CCn1c(CN2CCCC2=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502203448 1069857004 /nfs/dbraw/zinc/85/70/04/1069857004.db2.gz MIRWEFSCENIKSI-KRWDZBQOSA-N 2 1 473.544 1.196 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502245428 1069920325 /nfs/dbraw/zinc/92/03/25/1069920325.db2.gz SNUWEQLPWACOCM-HSALFYBXSA-N 2 1 469.700 1.929 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001502255982 1069946306 /nfs/dbraw/zinc/94/63/06/1069946306.db2.gz SFBUZYRNUQAGJT-ZJOUEHCJSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001502255982 1069946321 /nfs/dbraw/zinc/94/63/21/1069946321.db2.gz SFBUZYRNUQAGJT-ZJOUEHCJSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001502255982 1069946332 /nfs/dbraw/zinc/94/63/32/1069946332.db2.gz SFBUZYRNUQAGJT-ZJOUEHCJSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001502255979 1069947124 /nfs/dbraw/zinc/94/71/24/1069947124.db2.gz SFBUZYRNUQAGJT-DYXWJJEUSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001502255979 1069947133 /nfs/dbraw/zinc/94/71/33/1069947133.db2.gz SFBUZYRNUQAGJT-DYXWJJEUSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001502255979 1069947158 /nfs/dbraw/zinc/94/71/58/1069947158.db2.gz SFBUZYRNUQAGJT-DYXWJJEUSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001502262469 1069966218 /nfs/dbraw/zinc/96/62/18/1069966218.db2.gz ZKIXWOQAMKWGCG-MOPGFXCFSA-N 2 1 475.663 1.911 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001502262469 1069966250 /nfs/dbraw/zinc/96/62/50/1069966250.db2.gz ZKIXWOQAMKWGCG-MOPGFXCFSA-N 2 1 475.663 1.911 20 0 JDADMP CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001502265794 1069976807 /nfs/dbraw/zinc/97/68/07/1069976807.db2.gz XGADEYSKTMEMMN-CZYKHXBRSA-N 2 1 477.698 1.947 20 0 JDADMP CC[NH+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC001502265794 1069976835 /nfs/dbraw/zinc/97/68/35/1069976835.db2.gz XGADEYSKTMEMMN-CZYKHXBRSA-N 2 1 477.698 1.947 20 0 JDADMP CC[NH+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC001502265794 1069976879 /nfs/dbraw/zinc/97/68/79/1069976879.db2.gz XGADEYSKTMEMMN-CZYKHXBRSA-N 2 1 477.698 1.947 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC001502270402 1069986338 /nfs/dbraw/zinc/98/63/38/1069986338.db2.gz LKOUMCQZMKYIIF-UFYCRDLUSA-N 2 1 467.684 1.542 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC001502270400 1069986462 /nfs/dbraw/zinc/98/64/62/1069986462.db2.gz LKOUMCQZMKYIIF-AABGKKOBSA-N 2 1 467.684 1.542 20 0 JDADMP CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC001502270684 1069989835 /nfs/dbraw/zinc/98/98/35/1069989835.db2.gz REWRXLFKKIVMLU-LEWJYISDSA-N 2 1 460.671 1.363 20 0 JDADMP C[C@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001478640489 1070034952 /nfs/dbraw/zinc/03/49/52/1070034952.db2.gz BJXGJCNQVBTNDG-JTHBVZDNSA-N 2 1 458.651 1.291 20 0 JDADMP CCN1CCC([N@@H+]2CCCN(C(=O)NCc3cccc(S(=O)(=O)N(C)C)c3)CC2)CC1 ZINC001478682901 1070040325 /nfs/dbraw/zinc/04/03/25/1070040325.db2.gz NOZGYPRWQOARMJ-UHFFFAOYSA-N 2 1 451.637 1.639 20 0 JDADMP CCN1CCC([N@H+]2CCCN(C(=O)NCc3cccc(S(=O)(=O)N(C)C)c3)CC2)CC1 ZINC001478682901 1070040343 /nfs/dbraw/zinc/04/03/43/1070040343.db2.gz NOZGYPRWQOARMJ-UHFFFAOYSA-N 2 1 451.637 1.639 20 0 JDADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC001502312910 1070085454 /nfs/dbraw/zinc/08/54/54/1070085454.db2.gz UYBHKLVPIZJXSY-SFTDATJTSA-N 2 1 455.655 1.929 20 0 JDADMP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502315176 1070098604 /nfs/dbraw/zinc/09/86/04/1070098604.db2.gz IILRLHVDOLNGTB-YADHBBJMSA-N 2 1 470.666 1.447 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502317303 1070119946 /nfs/dbraw/zinc/11/99/46/1070119946.db2.gz DVLJYUHGSXNJHB-DVECYGJZSA-N 2 1 455.607 1.744 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001502317303 1070119973 /nfs/dbraw/zinc/11/99/73/1070119973.db2.gz DVLJYUHGSXNJHB-DVECYGJZSA-N 2 1 455.607 1.744 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001502317303 1070119991 /nfs/dbraw/zinc/11/99/91/1070119991.db2.gz DVLJYUHGSXNJHB-DVECYGJZSA-N 2 1 455.607 1.744 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502317304 1070120209 /nfs/dbraw/zinc/12/02/09/1070120209.db2.gz DVLJYUHGSXNJHB-NTKDMRAZSA-N 2 1 455.607 1.744 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001502317304 1070120236 /nfs/dbraw/zinc/12/02/36/1070120236.db2.gz DVLJYUHGSXNJHB-NTKDMRAZSA-N 2 1 455.607 1.744 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001502317304 1070120262 /nfs/dbraw/zinc/12/02/62/1070120262.db2.gz DVLJYUHGSXNJHB-NTKDMRAZSA-N 2 1 455.607 1.744 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502318247 1070128653 /nfs/dbraw/zinc/12/86/53/1070128653.db2.gz XLPPKEXKBUZOEZ-VJANTYMQSA-N 2 1 485.699 1.307 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001502318229 1070128725 /nfs/dbraw/zinc/12/87/25/1070128725.db2.gz WRFDUGHOXVBDKU-VGSWGCGISA-N 2 1 458.636 1.893 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)C[C@H]1C ZINC001502318192 1070125588 /nfs/dbraw/zinc/12/55/88/1070125588.db2.gz WFWGQJIGXUSBOD-RTBURBONSA-N 2 1 483.683 1.064 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)C[C@@H]1C ZINC001502318190 1070126645 /nfs/dbraw/zinc/12/66/45/1070126645.db2.gz WFWGQJIGXUSBOD-OALUTQOASA-N 2 1 483.683 1.064 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502318246 1070127718 /nfs/dbraw/zinc/12/77/18/1070127718.db2.gz XLPPKEXKBUZOEZ-OKYOBFRVSA-N 2 1 485.699 1.307 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502318246 1070127736 /nfs/dbraw/zinc/12/77/36/1070127736.db2.gz XLPPKEXKBUZOEZ-OKYOBFRVSA-N 2 1 485.699 1.307 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502318246 1070127752 /nfs/dbraw/zinc/12/77/52/1070127752.db2.gz XLPPKEXKBUZOEZ-OKYOBFRVSA-N 2 1 485.699 1.307 20 0 JDADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(C)n3CCc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC001502333642 1070179914 /nfs/dbraw/zinc/17/99/14/1070179914.db2.gz NMNKZRMNEZHKGQ-QHCPKHFHSA-N 2 1 455.651 1.986 20 0 JDADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C)n3CCc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC001502333641 1070180189 /nfs/dbraw/zinc/18/01/89/1070180189.db2.gz NMNKZRMNEZHKGQ-HSZRJFAPSA-N 2 1 455.651 1.986 20 0 JDADMP CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001502337609 1070207753 /nfs/dbraw/zinc/20/77/53/1070207753.db2.gz LDZKZINWKJPLHG-OAQYLSRUSA-N 2 1 462.687 1.610 20 0 JDADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001502337609 1070207775 /nfs/dbraw/zinc/20/77/75/1070207775.db2.gz LDZKZINWKJPLHG-OAQYLSRUSA-N 2 1 462.687 1.610 20 0 JDADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001502337609 1070207796 /nfs/dbraw/zinc/20/77/96/1070207796.db2.gz LDZKZINWKJPLHG-OAQYLSRUSA-N 2 1 462.687 1.610 20 0 JDADMP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCOC)CC2)CC1 ZINC001502340742 1070220880 /nfs/dbraw/zinc/22/08/80/1070220880.db2.gz JDLGHJCCDCRBDV-OAQYLSRUSA-N 2 1 456.639 1.382 20 0 JDADMP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502343767 1070242891 /nfs/dbraw/zinc/24/28/91/1070242891.db2.gz UGLNGOVHXDGJMX-BDTNDASRSA-N 2 1 463.671 1.213 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352682 1070274822 /nfs/dbraw/zinc/27/48/22/1070274822.db2.gz KYWKKSUHVMYXSH-VWNXMTODSA-N 2 1 488.725 1.808 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352682 1070274849 /nfs/dbraw/zinc/27/48/49/1070274849.db2.gz KYWKKSUHVMYXSH-VWNXMTODSA-N 2 1 488.725 1.808 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352682 1070274880 /nfs/dbraw/zinc/27/48/80/1070274880.db2.gz KYWKKSUHVMYXSH-VWNXMTODSA-N 2 1 488.725 1.808 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC001502352991 1070277828 /nfs/dbraw/zinc/27/78/28/1070277828.db2.gz UPQBGNZNLOICCY-OAQYLSRUSA-N 2 1 474.698 1.755 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC001502352991 1070277850 /nfs/dbraw/zinc/27/78/50/1070277850.db2.gz UPQBGNZNLOICCY-OAQYLSRUSA-N 2 1 474.698 1.755 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC001502352991 1070277872 /nfs/dbraw/zinc/27/78/72/1070277872.db2.gz UPQBGNZNLOICCY-OAQYLSRUSA-N 2 1 474.698 1.755 20 0 JDADMP CC[NH+]1CCN(CCCCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001502353038 1070280712 /nfs/dbraw/zinc/28/07/12/1070280712.db2.gz WMZJOIVJOHWOQG-UHFFFAOYSA-N 2 1 488.725 1.738 20 0 JDADMP CCN1CC[NH+](CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001502360177 1070301372 /nfs/dbraw/zinc/30/13/72/1070301372.db2.gz JKPPULGJCNNQNG-VXKWHMMOSA-N 2 1 477.698 1.950 20 0 JDADMP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493690849 1070336715 /nfs/dbraw/zinc/33/67/15/1070336715.db2.gz LDZROQMHQKIGDC-AABGKKOBSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493796718 1070348327 /nfs/dbraw/zinc/34/83/27/1070348327.db2.gz MGSDMKUZQHNOSN-HSALFYBXSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001493796718 1070348341 /nfs/dbraw/zinc/34/83/41/1070348341.db2.gz MGSDMKUZQHNOSN-HSALFYBXSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001493796718 1070348359 /nfs/dbraw/zinc/34/83/59/1070348359.db2.gz MGSDMKUZQHNOSN-HSALFYBXSA-N 2 1 497.710 1.310 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001493866783 1070366622 /nfs/dbraw/zinc/36/66/22/1070366622.db2.gz YPMGOQCKAIKSPW-VQTJNVASSA-N 2 1 499.726 1.556 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001493866783 1070366641 /nfs/dbraw/zinc/36/66/41/1070366641.db2.gz YPMGOQCKAIKSPW-VQTJNVASSA-N 2 1 499.726 1.556 20 0 JDADMP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001493866780 1070366841 /nfs/dbraw/zinc/36/68/41/1070366841.db2.gz YPMGOQCKAIKSPW-PMACEKPBSA-N 2 1 499.726 1.556 20 0 JDADMP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001493866780 1070366860 /nfs/dbraw/zinc/36/68/60/1070366860.db2.gz YPMGOQCKAIKSPW-PMACEKPBSA-N 2 1 499.726 1.556 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001494142237 1070439703 /nfs/dbraw/zinc/43/97/03/1070439703.db2.gz UJNVPXQCLUIVHQ-FPOVZHCZSA-N 2 1 461.655 1.574 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001494142237 1070439726 /nfs/dbraw/zinc/43/97/26/1070439726.db2.gz UJNVPXQCLUIVHQ-FPOVZHCZSA-N 2 1 461.655 1.574 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001494142237 1070439749 /nfs/dbraw/zinc/43/97/49/1070439749.db2.gz UJNVPXQCLUIVHQ-FPOVZHCZSA-N 2 1 461.655 1.574 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001494142245 1070438487 /nfs/dbraw/zinc/43/84/87/1070438487.db2.gz UJNVPXQCLUIVHQ-TZIWHRDSSA-N 2 1 461.655 1.574 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H]1CCC[NH+]1CCCO ZINC001494142245 1070438519 /nfs/dbraw/zinc/43/85/19/1070438519.db2.gz UJNVPXQCLUIVHQ-TZIWHRDSSA-N 2 1 461.655 1.574 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H]1CCC[NH+]1CCCO ZINC001494142245 1070438538 /nfs/dbraw/zinc/43/85/38/1070438538.db2.gz UJNVPXQCLUIVHQ-TZIWHRDSSA-N 2 1 461.655 1.574 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001494201259 1070487801 /nfs/dbraw/zinc/48/78/01/1070487801.db2.gz OAKXRQADILVEAE-ROUUACIJSA-N 2 1 485.724 1.248 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001494201258 1070488463 /nfs/dbraw/zinc/48/84/63/1070488463.db2.gz OAKXRQADILVEAE-QZTJIDSGSA-N 2 1 485.724 1.248 20 0 JDADMP C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001494348347 1070559908 /nfs/dbraw/zinc/55/99/08/1070559908.db2.gz UCDTUPDGUPVXQV-OALUTQOASA-N 2 1 468.668 1.069 20 0 JDADMP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494518099 1070609223 /nfs/dbraw/zinc/60/92/23/1070609223.db2.gz GVANBUARUUTCJQ-OYRHEFFESA-N 2 1 461.655 1.645 20 0 JDADMP C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001494532879 1070625856 /nfs/dbraw/zinc/62/58/56/1070625856.db2.gz ZUARHCKXRITXSC-NHCUHLMSSA-N 2 1 496.722 1.992 20 0 JDADMP C[C@@H]1C[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCCO1 ZINC001494532879 1070625866 /nfs/dbraw/zinc/62/58/66/1070625866.db2.gz ZUARHCKXRITXSC-NHCUHLMSSA-N 2 1 496.722 1.992 20 0 JDADMP C[C@@H]1C[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCCO1 ZINC001494532879 1070625885 /nfs/dbraw/zinc/62/58/85/1070625885.db2.gz ZUARHCKXRITXSC-NHCUHLMSSA-N 2 1 496.722 1.992 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](CC)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001502667689 1070747277 /nfs/dbraw/zinc/74/72/77/1070747277.db2.gz XVPBAGLCILCQJS-AWRGLXIESA-N 2 1 464.655 1.817 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](CC)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001502667689 1070747293 /nfs/dbraw/zinc/74/72/93/1070747293.db2.gz XVPBAGLCILCQJS-AWRGLXIESA-N 2 1 464.655 1.817 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@H](CC)[C@H]([NH+]4CCOCC4)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001502667691 1070747732 /nfs/dbraw/zinc/74/77/32/1070747732.db2.gz XVPBAGLCILCQJS-YZUZCNPQSA-N 2 1 464.655 1.817 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@H](CC)[C@H]([NH+]4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001502667691 1070747738 /nfs/dbraw/zinc/74/77/38/1070747738.db2.gz XVPBAGLCILCQJS-YZUZCNPQSA-N 2 1 464.655 1.817 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[C@@H](C[NH+](CC)CC)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001502680741 1070769072 /nfs/dbraw/zinc/76/90/72/1070769072.db2.gz WQNFTURCLKGJMN-AJSBUHFISA-N 2 1 450.628 1.165 20 0 JDADMP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001495693382 1070815341 /nfs/dbraw/zinc/81/53/41/1070815341.db2.gz FGFQTBHSERGUEE-HXUWFJFHSA-N 2 1 463.671 1.893 20 0 JDADMP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001495693382 1070815342 /nfs/dbraw/zinc/81/53/42/1070815342.db2.gz FGFQTBHSERGUEE-HXUWFJFHSA-N 2 1 463.671 1.893 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001502713962 1070820793 /nfs/dbraw/zinc/82/07/93/1070820793.db2.gz FIEHMYBFUVSMCU-NFBKMPQASA-N 2 1 450.628 1.429 20 0 JDADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001496117883 1070831550 /nfs/dbraw/zinc/83/15/50/1070831550.db2.gz VQFNSYRBDCGXBH-OTWHNJEPSA-N 2 1 455.673 1.683 20 0 JDADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001496117879 1070831557 /nfs/dbraw/zinc/83/15/57/1070831557.db2.gz VQFNSYRBDCGXBH-GBESFXJTSA-N 2 1 455.673 1.683 20 0 JDADMP COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCN(C(C)=O)CC4)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001504119928 1070841601 /nfs/dbraw/zinc/84/16/01/1070841601.db2.gz LNVRAZKGTVDEIR-AXHZCLLHSA-N 2 1 499.660 1.901 20 0 JDADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC001502849172 1070867486 /nfs/dbraw/zinc/86/74/86/1070867486.db2.gz KCWPDQJNDMFJRG-VWLOTQADSA-N 2 1 485.633 1.204 20 0 JDADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC001502849172 1070867488 /nfs/dbraw/zinc/86/74/88/1070867488.db2.gz KCWPDQJNDMFJRG-VWLOTQADSA-N 2 1 485.633 1.204 20 0 JDADMP COc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCOCC[NH+](C)C)c(OC)c1 ZINC001504200130 1070878823 /nfs/dbraw/zinc/87/88/23/1070878823.db2.gz OEINGIYYBDZGST-SFHVURJKSA-N 2 1 460.579 1.061 20 0 JDADMP COc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCOCC[NH+](C)C)c(OC)c1 ZINC001504200130 1070878824 /nfs/dbraw/zinc/87/88/24/1070878824.db2.gz OEINGIYYBDZGST-SFHVURJKSA-N 2 1 460.579 1.061 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC[NH+]1CCC[C@H]1C ZINC001503029490 1070980933 /nfs/dbraw/zinc/98/09/33/1070980933.db2.gz AEGJRGSXLUFLHZ-TUNNFDKTSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001503029490 1070980976 /nfs/dbraw/zinc/98/09/76/1070980976.db2.gz AEGJRGSXLUFLHZ-TUNNFDKTSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001503029490 1070981032 /nfs/dbraw/zinc/98/10/32/1070981032.db2.gz AEGJRGSXLUFLHZ-TUNNFDKTSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033320 1070987412 /nfs/dbraw/zinc/98/74/12/1070987412.db2.gz MBCUIZIAAGAIJS-PZJWPPBQSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001503034529 1070990084 /nfs/dbraw/zinc/99/00/84/1070990084.db2.gz RJOLEWUPPXMKSF-FPOVZHCZSA-N 2 1 461.655 1.678 20 0 JDADMP CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001503034725 1070993004 /nfs/dbraw/zinc/99/30/04/1070993004.db2.gz SWWXRGSGYPEPMO-RTBURBONSA-N 2 1 452.669 1.799 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001503034593 1070993284 /nfs/dbraw/zinc/99/32/84/1070993284.db2.gz SGPNAEFKBPRFJH-URXFXBBRSA-N 2 1 483.661 1.935 20 0 JDADMP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001503034593 1070993365 /nfs/dbraw/zinc/99/33/65/1070993365.db2.gz SGPNAEFKBPRFJH-URXFXBBRSA-N 2 1 483.661 1.935 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001503034594 1070993643 /nfs/dbraw/zinc/99/36/43/1070993643.db2.gz SGPNAEFKBPRFJH-XUZZJYLKSA-N 2 1 483.661 1.935 20 0 JDADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001503034594 1070993690 /nfs/dbraw/zinc/99/36/90/1070993690.db2.gz SGPNAEFKBPRFJH-XUZZJYLKSA-N 2 1 483.661 1.935 20 0 JDADMP CCOCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503047930 1071007952 /nfs/dbraw/zinc/00/79/52/1071007952.db2.gz QLCMHMHPLZBERN-QFIPXVFZSA-N 2 1 450.628 1.351 20 0 JDADMP CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503060909 1071016740 /nfs/dbraw/zinc/01/67/40/1071016740.db2.gz LAXKFJPLAWJZQQ-VXKWHMMOSA-N 2 1 463.671 1.388 20 0 JDADMP CCOCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503096186 1071038566 /nfs/dbraw/zinc/03/85/66/1071038566.db2.gz MUOFWLLVGRREPP-UHFFFAOYSA-N 2 1 474.654 1.496 20 0 JDADMP COc1ccc(OCc2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001504309988 1071039906 /nfs/dbraw/zinc/03/99/06/1071039906.db2.gz YALTXGVYPRTCAJ-NRFANRHFSA-N 2 1 499.660 1.950 20 0 JDADMP COc1ccc(OCc2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001504309988 1071039909 /nfs/dbraw/zinc/03/99/09/1071039909.db2.gz YALTXGVYPRTCAJ-NRFANRHFSA-N 2 1 499.660 1.950 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001503099217 1071045429 /nfs/dbraw/zinc/04/54/29/1071045429.db2.gz QIDXUFQGWASAPN-NHCUHLMSSA-N 2 1 461.655 1.679 20 0 JDADMP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001503110644 1071065517 /nfs/dbraw/zinc/06/55/17/1071065517.db2.gz YNPREVCLLKVKSK-OAQYLSRUSA-N 2 1 450.628 1.472 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001503216078 1071164855 /nfs/dbraw/zinc/16/48/55/1071164855.db2.gz MIUSOVNFEDSRPF-UHFFFAOYSA-N 2 1 469.634 1.783 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001503216860 1071165780 /nfs/dbraw/zinc/16/57/80/1071165780.db2.gz RGSRMLFUKMMLKD-UHFFFAOYSA-N 2 1 461.655 1.795 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001503219450 1071171986 /nfs/dbraw/zinc/17/19/86/1071171986.db2.gz MTPHYKSQIMNAIR-WOJBJXKFSA-N 2 1 474.654 1.725 20 0 JDADMP CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1CC ZINC001503220565 1071174771 /nfs/dbraw/zinc/17/47/71/1071174771.db2.gz LWWHPMSKDCQVOY-NRFANRHFSA-N 2 1 474.654 1.727 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1CC ZINC001503220565 1071174780 /nfs/dbraw/zinc/17/47/80/1071174780.db2.gz LWWHPMSKDCQVOY-NRFANRHFSA-N 2 1 474.654 1.727 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1CC ZINC001503220565 1071174785 /nfs/dbraw/zinc/17/47/85/1071174785.db2.gz LWWHPMSKDCQVOY-NRFANRHFSA-N 2 1 474.654 1.727 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1CC ZINC001503220565 1071174794 /nfs/dbraw/zinc/17/47/94/1071174794.db2.gz LWWHPMSKDCQVOY-NRFANRHFSA-N 2 1 474.654 1.727 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001503223041 1071185286 /nfs/dbraw/zinc/18/52/86/1071185286.db2.gz LCOOMPDRZFKXTF-OAQYLSRUSA-N 2 1 464.655 1.566 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001503223247 1071186693 /nfs/dbraw/zinc/18/66/93/1071186693.db2.gz KFBIAQWDSYNIOO-WOJBJXKFSA-N 2 1 495.669 1.695 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001503224506 1071192335 /nfs/dbraw/zinc/19/23/35/1071192335.db2.gz UHMSNTKGERSHSS-FCHUYYIVSA-N 2 1 478.682 1.954 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001503226160 1071195730 /nfs/dbraw/zinc/19/57/30/1071195730.db2.gz SRGJBXYMKIMDRE-VWLOTQADSA-N 2 1 472.634 1.699 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001503226160 1071195737 /nfs/dbraw/zinc/19/57/37/1071195737.db2.gz SRGJBXYMKIMDRE-VWLOTQADSA-N 2 1 472.634 1.699 20 0 JDADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001504455429 1071230453 /nfs/dbraw/zinc/23/04/53/1071230453.db2.gz QKOKZLZPBXCLSH-NRFANRHFSA-N 2 1 499.660 1.950 20 0 JDADMP COc1ccccc1OCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001504455429 1071230460 /nfs/dbraw/zinc/23/04/60/1071230460.db2.gz QKOKZLZPBXCLSH-NRFANRHFSA-N 2 1 499.660 1.950 20 0 JDADMP COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC001504489490 1071263639 /nfs/dbraw/zinc/26/36/39/1071263639.db2.gz ICWBTYMNBMQBNV-RTBURBONSA-N 2 1 497.710 1.452 20 0 JDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503356861 1071556920 /nfs/dbraw/zinc/55/69/20/1071556920.db2.gz BDWHFXFQSNARTQ-OAQYLSRUSA-N 2 1 475.682 1.819 20 0 JDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503357960 1071562193 /nfs/dbraw/zinc/56/21/93/1071562193.db2.gz CEGAMOLHAIRYSG-OALUTQOASA-N 2 1 474.654 1.092 20 0 JDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503357959 1071562604 /nfs/dbraw/zinc/56/26/04/1071562604.db2.gz CEGAMOLHAIRYSG-MOPGFXCFSA-N 2 1 474.654 1.092 20 0 JDADMP C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001503383134 1071639175 /nfs/dbraw/zinc/63/91/75/1071639175.db2.gz QMSGGPDHIWEWHB-UXHICEINSA-N 2 1 497.710 1.262 20 0 JDADMP C[NH+](C)CC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503399178 1071659238 /nfs/dbraw/zinc/65/92/38/1071659238.db2.gz RQTXPNDLZRZWJU-NRFANRHFSA-N 2 1 468.650 1.595 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504851936 1071752054 /nfs/dbraw/zinc/75/20/54/1071752054.db2.gz SBQXTMLPQGRFOV-UHFFFAOYSA-N 2 1 457.623 1.918 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504850521 1071748505 /nfs/dbraw/zinc/74/85/05/1071748505.db2.gz GNDYXNLNHBNLIK-NZQKXSOJSA-N 2 1 499.664 1.082 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504850521 1071748512 /nfs/dbraw/zinc/74/85/12/1071748512.db2.gz GNDYXNLNHBNLIK-NZQKXSOJSA-N 2 1 499.664 1.082 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504850521 1071748521 /nfs/dbraw/zinc/74/85/21/1071748521.db2.gz GNDYXNLNHBNLIK-NZQKXSOJSA-N 2 1 499.664 1.082 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001504851318 1071750329 /nfs/dbraw/zinc/75/03/29/1071750329.db2.gz LDUNXSUNRMRJOU-NRFANRHFSA-N 2 1 470.622 1.051 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001504851318 1071750338 /nfs/dbraw/zinc/75/03/38/1071750338.db2.gz LDUNXSUNRMRJOU-NRFANRHFSA-N 2 1 470.622 1.051 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001504851318 1071750345 /nfs/dbraw/zinc/75/03/45/1071750345.db2.gz LDUNXSUNRMRJOU-NRFANRHFSA-N 2 1 470.622 1.051 20 0 JDADMP COCC[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504852270 1071754474 /nfs/dbraw/zinc/75/44/74/1071754474.db2.gz TZGOXKBTNZHYFM-NZQKXSOJSA-N 2 1 486.665 1.241 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504852270 1071754485 /nfs/dbraw/zinc/75/44/85/1071754485.db2.gz TZGOXKBTNZHYFM-NZQKXSOJSA-N 2 1 486.665 1.241 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001504854176 1071761481 /nfs/dbraw/zinc/76/14/81/1071761481.db2.gz KDKDUKGHFWWXIF-NRFANRHFSA-N 2 1 490.052 1.920 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001504854176 1071761490 /nfs/dbraw/zinc/76/14/90/1071761490.db2.gz KDKDUKGHFWWXIF-NRFANRHFSA-N 2 1 490.052 1.920 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001504854176 1071761501 /nfs/dbraw/zinc/76/15/01/1071761501.db2.gz KDKDUKGHFWWXIF-NRFANRHFSA-N 2 1 490.052 1.920 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001504855607 1071767692 /nfs/dbraw/zinc/76/76/92/1071767692.db2.gz SDGNUBGJAWCQHZ-LJQANCHMSA-N 2 1 479.423 1.807 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001504855607 1071767704 /nfs/dbraw/zinc/76/77/04/1071767704.db2.gz SDGNUBGJAWCQHZ-LJQANCHMSA-N 2 1 479.423 1.807 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001504855607 1071767714 /nfs/dbraw/zinc/76/77/14/1071767714.db2.gz SDGNUBGJAWCQHZ-LJQANCHMSA-N 2 1 479.423 1.807 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001504855607 1071767730 /nfs/dbraw/zinc/76/77/30/1071767730.db2.gz SDGNUBGJAWCQHZ-LJQANCHMSA-N 2 1 479.423 1.807 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504857034 1071773220 /nfs/dbraw/zinc/77/32/20/1071773220.db2.gz IIAFARQXPMFCMU-YKSBVNFPSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504857034 1071773241 /nfs/dbraw/zinc/77/32/41/1071773241.db2.gz IIAFARQXPMFCMU-YKSBVNFPSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504857034 1071773272 /nfs/dbraw/zinc/77/32/72/1071773272.db2.gz IIAFARQXPMFCMU-YKSBVNFPSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H]([NH+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504857033 1071773358 /nfs/dbraw/zinc/77/33/58/1071773358.db2.gz IIAFARQXPMFCMU-RDPSFJRHSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504857033 1071773374 /nfs/dbraw/zinc/77/33/74/1071773374.db2.gz IIAFARQXPMFCMU-RDPSFJRHSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504857033 1071773413 /nfs/dbraw/zinc/77/34/13/1071773413.db2.gz IIAFARQXPMFCMU-RDPSFJRHSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001504857746 1071779375 /nfs/dbraw/zinc/77/93/75/1071779375.db2.gz QZDQJUNQPNNZLZ-UHFFFAOYSA-N 2 1 461.611 1.895 20 0 JDADMP COCC[NH+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001504857746 1071779401 /nfs/dbraw/zinc/77/94/01/1071779401.db2.gz QZDQJUNQPNNZLZ-UHFFFAOYSA-N 2 1 461.611 1.895 20 0 JDADMP COCC[NH+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001504857746 1071779417 /nfs/dbraw/zinc/77/94/17/1071779417.db2.gz QZDQJUNQPNNZLZ-UHFFFAOYSA-N 2 1 461.611 1.895 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001504904012 1071842611 /nfs/dbraw/zinc/84/26/11/1071842611.db2.gz IGQVJDLQZRQOOA-ZCNNSNEGSA-N 2 1 485.699 1.166 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001504904950 1071845501 /nfs/dbraw/zinc/84/55/01/1071845501.db2.gz HVMXXZHHZSBTPD-NHCUHLMSSA-N 2 1 461.655 1.793 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001504906485 1071850582 /nfs/dbraw/zinc/85/05/82/1071850582.db2.gz YWEHQNSTKCFRJQ-DYESRHJHSA-N 2 1 453.657 1.011 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001504909297 1071860276 /nfs/dbraw/zinc/86/02/76/1071860276.db2.gz BZYQCLPFJXWMRL-KRWDZBQOSA-N 2 1 496.454 1.915 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001504910000 1071863291 /nfs/dbraw/zinc/86/32/91/1071863291.db2.gz JNUXLKKGVHIINO-ZTCOLXNVSA-N 2 1 496.722 1.913 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001504914701 1071875573 /nfs/dbraw/zinc/87/55/73/1071875573.db2.gz PTWQRVCQLQDCNQ-NHCUHLMSSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001504914701 1071875578 /nfs/dbraw/zinc/87/55/78/1071875578.db2.gz PTWQRVCQLQDCNQ-NHCUHLMSSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001504914701 1071875581 /nfs/dbraw/zinc/87/55/81/1071875581.db2.gz PTWQRVCQLQDCNQ-NHCUHLMSSA-N 2 1 457.623 1.998 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001504913573 1071873051 /nfs/dbraw/zinc/87/30/51/1071873051.db2.gz GIQNQYXCDQCHHX-UHFFFAOYSA-N 2 1 456.570 1.718 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001504913573 1071873054 /nfs/dbraw/zinc/87/30/54/1071873054.db2.gz GIQNQYXCDQCHHX-UHFFFAOYSA-N 2 1 456.570 1.718 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001504917065 1071881945 /nfs/dbraw/zinc/88/19/45/1071881945.db2.gz IQPKJIFCERRSPB-CTNGQTDRSA-N 2 1 455.607 1.518 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001504917065 1071881949 /nfs/dbraw/zinc/88/19/49/1071881949.db2.gz IQPKJIFCERRSPB-CTNGQTDRSA-N 2 1 455.607 1.518 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504917194 1071883288 /nfs/dbraw/zinc/88/32/88/1071883288.db2.gz OSTAONKUUSUHFL-GMAHTHKFSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504917194 1071883293 /nfs/dbraw/zinc/88/32/93/1071883293.db2.gz OSTAONKUUSUHFL-GMAHTHKFSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504917194 1071883294 /nfs/dbraw/zinc/88/32/94/1071883294.db2.gz OSTAONKUUSUHFL-GMAHTHKFSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504916004 1071879046 /nfs/dbraw/zinc/87/90/46/1071879046.db2.gz PKLQLGGDKCDPNG-RBBKRZOGSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504916004 1071879053 /nfs/dbraw/zinc/87/90/53/1071879053.db2.gz PKLQLGGDKCDPNG-RBBKRZOGSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504916004 1071879054 /nfs/dbraw/zinc/87/90/54/1071879054.db2.gz PKLQLGGDKCDPNG-RBBKRZOGSA-N 2 1 484.649 1.440 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504916285 1071880131 /nfs/dbraw/zinc/88/01/31/1071880131.db2.gz FESJIPZMCTYHTE-AABGKKOBSA-N 2 1 472.638 1.780 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001504916592 1071880714 /nfs/dbraw/zinc/88/07/14/1071880714.db2.gz HOZNPBJCSQJQSB-VQTJNVASSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001504916592 1071880722 /nfs/dbraw/zinc/88/07/22/1071880722.db2.gz HOZNPBJCSQJQSB-VQTJNVASSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001504916592 1071880723 /nfs/dbraw/zinc/88/07/23/1071880723.db2.gz HOZNPBJCSQJQSB-VQTJNVASSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001504916591 1071880794 /nfs/dbraw/zinc/88/07/94/1071880794.db2.gz HOZNPBJCSQJQSB-UXHICEINSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001504916591 1071880797 /nfs/dbraw/zinc/88/07/97/1071880797.db2.gz HOZNPBJCSQJQSB-UXHICEINSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001504916591 1071880798 /nfs/dbraw/zinc/88/07/98/1071880798.db2.gz HOZNPBJCSQJQSB-UXHICEINSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001504916602 1071881137 /nfs/dbraw/zinc/88/11/37/1071881137.db2.gz HVJFOBPVOHZNMG-GOSISDBHSA-N 2 1 460.652 1.719 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001504916603 1071881185 /nfs/dbraw/zinc/88/11/85/1071881185.db2.gz HVJFOBPVOHZNMG-SFHVURJKSA-N 2 1 460.652 1.719 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001504922737 1071898961 /nfs/dbraw/zinc/89/89/61/1071898961.db2.gz AIKMOCSQCZPYSD-UHFFFAOYSA-N 2 1 474.654 1.143 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001504923804 1071903839 /nfs/dbraw/zinc/90/38/39/1071903839.db2.gz JYZAXGDGFBVRQY-HYBUGGRVSA-N 2 1 458.607 1.123 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001504923804 1071903854 /nfs/dbraw/zinc/90/38/54/1071903854.db2.gz JYZAXGDGFBVRQY-HYBUGGRVSA-N 2 1 458.607 1.123 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001504923804 1071903865 /nfs/dbraw/zinc/90/38/65/1071903865.db2.gz JYZAXGDGFBVRQY-HYBUGGRVSA-N 2 1 458.607 1.123 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001504923938 1071905090 /nfs/dbraw/zinc/90/50/90/1071905090.db2.gz LNSHBPSWCCQZOI-UHFFFAOYSA-N 2 1 488.681 1.798 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001504923419 1071901920 /nfs/dbraw/zinc/90/19/20/1071901920.db2.gz GQURFWPVCCTNMT-QFIPXVFZSA-N 2 1 462.668 1.345 20 0 JDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001503619520 1071909211 /nfs/dbraw/zinc/90/92/11/1071909211.db2.gz TYBFCOPPCRYYQR-UHFFFAOYSA-N 2 1 460.627 1.336 20 0 JDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001503619520 1071909217 /nfs/dbraw/zinc/90/92/17/1071909217.db2.gz TYBFCOPPCRYYQR-UHFFFAOYSA-N 2 1 460.627 1.336 20 0 JDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CCC[NH+]1CCC(O)CC1 ZINC001503622188 1071920013 /nfs/dbraw/zinc/92/00/13/1071920013.db2.gz KMRSAZYYTBSBCV-UHFFFAOYSA-N 2 1 458.611 1.129 20 0 JDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CCC[NH+]1CCC(O)CC1 ZINC001503622188 1071920014 /nfs/dbraw/zinc/92/00/14/1071920014.db2.gz KMRSAZYYTBSBCV-UHFFFAOYSA-N 2 1 458.611 1.129 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001504949676 1071994766 /nfs/dbraw/zinc/99/47/66/1071994766.db2.gz IUHLDBIAWPXHQU-VAMGGRTRSA-N 2 1 450.628 1.786 20 0 JDADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503676777 1072009433 /nfs/dbraw/zinc/00/94/33/1072009433.db2.gz AISZWPDSPPJIFH-XMMPIXPASA-N 2 1 460.598 1.945 20 0 JDADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503676777 1072009438 /nfs/dbraw/zinc/00/94/38/1072009438.db2.gz AISZWPDSPPJIFH-XMMPIXPASA-N 2 1 460.598 1.945 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001504994791 1072063483 /nfs/dbraw/zinc/06/34/83/1072063483.db2.gz KPADTUBTPKXTGU-GCJKJVERSA-N 2 1 464.636 1.452 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504994791 1072063494 /nfs/dbraw/zinc/06/34/94/1072063494.db2.gz KPADTUBTPKXTGU-GCJKJVERSA-N 2 1 464.636 1.452 20 0 JDADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC001464831429 1067667085 /nfs/dbraw/zinc/66/70/85/1067667085.db2.gz SIBFJTMUFAJCLV-UHFFFAOYSA-N 2 1 457.619 1.870 20 0 JDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001465304184 1067776069 /nfs/dbraw/zinc/77/60/69/1067776069.db2.gz FYHUGBITDNDYEA-SFHVURJKSA-N 2 1 451.575 1.639 20 0 JDADMP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1=O ZINC001466006745 1067850445 /nfs/dbraw/zinc/85/04/45/1067850445.db2.gz VTUWBPHNNUSTSR-KRWDZBQOSA-N 2 1 451.409 1.940 20 0 JDADMP C[NH+](C)C[C@H](CO)NC(=O)CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC001467814861 1068068546 /nfs/dbraw/zinc/06/85/46/1068068546.db2.gz QKBUECCGBCAXJA-LJQANCHMSA-N 2 1 450.583 1.720 20 0 JDADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cc2)CC1 ZINC001467877539 1068082746 /nfs/dbraw/zinc/08/27/46/1068082746.db2.gz WCCSNCMCAHTPSL-GOTSBHOMSA-N 2 1 457.619 1.641 20 0 JDADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[NH+]2C3)CC[N@@H+]1CCOC ZINC001469609173 1068555722 /nfs/dbraw/zinc/55/57/22/1068555722.db2.gz CVRVZTJKSLEGCK-RJGXRXQPSA-N 2 1 457.619 1.728 20 0 JDADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[NH+]2C3)CC[N@H+]1CCOC ZINC001469609173 1068555741 /nfs/dbraw/zinc/55/57/41/1068555741.db2.gz CVRVZTJKSLEGCK-RJGXRXQPSA-N 2 1 457.619 1.728 20 0 JDADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)CC[NH+]1CCOC ZINC001469609173 1068555760 /nfs/dbraw/zinc/55/57/60/1068555760.db2.gz CVRVZTJKSLEGCK-RJGXRXQPSA-N 2 1 457.619 1.728 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC001470772709 1068808715 /nfs/dbraw/zinc/80/87/15/1068808715.db2.gz LVFXQNLSPZCWLZ-OALUTQOASA-N 2 1 450.603 1.752 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC001470772709 1068808718 /nfs/dbraw/zinc/80/87/18/1068808718.db2.gz LVFXQNLSPZCWLZ-OALUTQOASA-N 2 1 450.603 1.752 20 0 JDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001471183140 1068841386 /nfs/dbraw/zinc/84/13/86/1068841386.db2.gz XLEUXXUWCGSWGF-ILBGXUMGSA-N 2 1 459.635 1.061 20 0 JDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001471183140 1068841387 /nfs/dbraw/zinc/84/13/87/1068841387.db2.gz XLEUXXUWCGSWGF-ILBGXUMGSA-N 2 1 459.635 1.061 20 0 JDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001471183140 1068841388 /nfs/dbraw/zinc/84/13/88/1068841388.db2.gz XLEUXXUWCGSWGF-ILBGXUMGSA-N 2 1 459.635 1.061 20 0 JDADMP CC[C@H]1C(=O)NCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[N@@H+](C)C(C)C ZINC001499322744 1068981591 /nfs/dbraw/zinc/98/15/91/1068981591.db2.gz UDSYOJXIOMVQHH-QHCPKHFHSA-N 2 1 482.677 1.698 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC001499712177 1069046226 /nfs/dbraw/zinc/04/62/26/1069046226.db2.gz SLSSIIJDTDGRBN-GGAORHGYSA-N 2 1 470.666 1.913 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001499721109 1069050669 /nfs/dbraw/zinc/05/06/69/1069050669.db2.gz BOMDJSXSDMWDSF-BURNTYAHSA-N 2 1 491.681 1.664 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001499721110 1069050701 /nfs/dbraw/zinc/05/07/01/1069050701.db2.gz BOMDJSXSDMWDSF-MHTWAQMVSA-N 2 1 491.681 1.664 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC001499721110 1069050706 /nfs/dbraw/zinc/05/07/06/1069050706.db2.gz BOMDJSXSDMWDSF-MHTWAQMVSA-N 2 1 491.681 1.664 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC001499721110 1069050709 /nfs/dbraw/zinc/05/07/09/1069050709.db2.gz BOMDJSXSDMWDSF-MHTWAQMVSA-N 2 1 491.681 1.664 20 0 JDADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001473461618 1069155934 /nfs/dbraw/zinc/15/59/34/1069155934.db2.gz BMDIOUXLFCZLTH-BQNPTPDXSA-N 2 1 458.628 1.858 20 0 JDADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001473461618 1069155962 /nfs/dbraw/zinc/15/59/62/1069155962.db2.gz BMDIOUXLFCZLTH-BQNPTPDXSA-N 2 1 458.628 1.858 20 0 JDADMP CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCC[C@H]2C)CC[N@H+]1CCOC ZINC001500223870 1069217873 /nfs/dbraw/zinc/21/78/73/1069217873.db2.gz NTAUPZLUNCQSGH-NHCUHLMSSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@H]2C)CC[NH+]1CCOC ZINC001500223870 1069217884 /nfs/dbraw/zinc/21/78/84/1069217884.db2.gz NTAUPZLUNCQSGH-NHCUHLMSSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@H]2C)CC[NH+]1CCOC ZINC001500223870 1069217893 /nfs/dbraw/zinc/21/78/93/1069217893.db2.gz NTAUPZLUNCQSGH-NHCUHLMSSA-N 2 1 461.655 1.936 20 0 JDADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001500703212 1069298697 /nfs/dbraw/zinc/29/86/97/1069298697.db2.gz OEEJRSJFVDNKND-FCHUYYIVSA-N 2 1 474.698 1.708 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC001500716777 1069301335 /nfs/dbraw/zinc/30/13/35/1069301335.db2.gz MXRJPMUQFKLDQF-ACRUOGEOSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001500716777 1069301352 /nfs/dbraw/zinc/30/13/52/1069301352.db2.gz MXRJPMUQFKLDQF-ACRUOGEOSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001500716777 1069301356 /nfs/dbraw/zinc/30/13/56/1069301356.db2.gz MXRJPMUQFKLDQF-ACRUOGEOSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCO[C@H](C)C2)C1 ZINC001500720136 1069302847 /nfs/dbraw/zinc/30/28/47/1069302847.db2.gz CQPAJCLTJGRZLS-FSSWDIPSSA-N 2 1 496.722 1.849 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001500720136 1069302861 /nfs/dbraw/zinc/30/28/61/1069302861.db2.gz CQPAJCLTJGRZLS-FSSWDIPSSA-N 2 1 496.722 1.849 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001500720136 1069302877 /nfs/dbraw/zinc/30/28/77/1069302877.db2.gz CQPAJCLTJGRZLS-FSSWDIPSSA-N 2 1 496.722 1.849 20 0 JDADMP CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N(CC[NH+](C)C)C[C@H]3CCC[N@H+]3CC)ccc2O1 ZINC001474915148 1069303416 /nfs/dbraw/zinc/30/34/16/1069303416.db2.gz NVXNMFODGZSYAS-NQIIRXRSSA-N 2 1 453.605 1.590 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001500721607 1069304755 /nfs/dbraw/zinc/30/47/55/1069304755.db2.gz ZXKAUWYTJCQVQQ-IHPCNDPISA-N 2 1 452.669 1.689 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H](C)O1 ZINC001505289360 1072472977 /nfs/dbraw/zinc/47/29/77/1072472977.db2.gz HCBSIUGJOCWDAR-MOXWOTFGSA-N 2 1 452.669 1.765 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H](C)O1 ZINC001505289360 1072472986 /nfs/dbraw/zinc/47/29/86/1072472986.db2.gz HCBSIUGJOCWDAR-MOXWOTFGSA-N 2 1 452.669 1.765 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H](C)O1 ZINC001505289359 1072473178 /nfs/dbraw/zinc/47/31/78/1072473178.db2.gz HCBSIUGJOCWDAR-LMVRJCEZSA-N 2 1 452.669 1.765 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H](C)O1 ZINC001505289359 1072473185 /nfs/dbraw/zinc/47/31/85/1072473185.db2.gz HCBSIUGJOCWDAR-LMVRJCEZSA-N 2 1 452.669 1.765 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001505291768 1072477478 /nfs/dbraw/zinc/47/74/78/1072477478.db2.gz YNAIDEHQBWDBGM-GLDPYIMESA-N 2 1 476.597 1.608 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001505291768 1072477483 /nfs/dbraw/zinc/47/74/83/1072477483.db2.gz YNAIDEHQBWDBGM-GLDPYIMESA-N 2 1 476.597 1.608 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C)O1 ZINC001505291768 1072477491 /nfs/dbraw/zinc/47/74/91/1072477491.db2.gz YNAIDEHQBWDBGM-GLDPYIMESA-N 2 1 476.597 1.608 20 0 JDADMP C[C@@H]1C[NH+](CCN(C)c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001505291768 1072477497 /nfs/dbraw/zinc/47/74/97/1072477497.db2.gz YNAIDEHQBWDBGM-GLDPYIMESA-N 2 1 476.597 1.608 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229685 1072993332 /nfs/dbraw/zinc/99/33/32/1072993332.db2.gz CEOIEEMYCWXZGW-ZJSXRUAMSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229685 1072993341 /nfs/dbraw/zinc/99/33/41/1072993341.db2.gz CEOIEEMYCWXZGW-ZJSXRUAMSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229685 1072993350 /nfs/dbraw/zinc/99/33/50/1072993350.db2.gz CEOIEEMYCWXZGW-ZJSXRUAMSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508230861 1072995439 /nfs/dbraw/zinc/99/54/39/1072995439.db2.gz FBSCUCWFUIMNMD-FYYLOGMGSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508230861 1072995448 /nfs/dbraw/zinc/99/54/48/1072995448.db2.gz FBSCUCWFUIMNMD-FYYLOGMGSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508230861 1072995451 /nfs/dbraw/zinc/99/54/51/1072995451.db2.gz FBSCUCWFUIMNMD-FYYLOGMGSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC(C)(C)C3)C[C@H]2C)CC1 ZINC001508230861 1072995460 /nfs/dbraw/zinc/99/54/60/1072995460.db2.gz FBSCUCWFUIMNMD-FYYLOGMGSA-N 2 1 489.709 1.966 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C)CC1 ZINC001508231804 1072997385 /nfs/dbraw/zinc/99/73/85/1072997385.db2.gz IWTTYZHJWJJBIT-ISHFTEKXSA-N 2 1 475.682 1.853 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C)CC1 ZINC001508231804 1072997396 /nfs/dbraw/zinc/99/73/96/1072997396.db2.gz IWTTYZHJWJJBIT-ISHFTEKXSA-N 2 1 475.682 1.853 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C)CC1 ZINC001508231804 1072997403 /nfs/dbraw/zinc/99/74/03/1072997403.db2.gz IWTTYZHJWJJBIT-ISHFTEKXSA-N 2 1 475.682 1.853 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@@H]2C)CC1 ZINC001508233670 1073001926 /nfs/dbraw/zinc/00/19/26/1073001926.db2.gz RCMDSPZMLKVIJX-CPJSRVTESA-N 2 1 483.661 1.954 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@H]2C)CC1 ZINC001508234407 1073003600 /nfs/dbraw/zinc/00/36/00/1073003600.db2.gz VCJMGRRLPZUGEA-KNQAVFIVSA-N 2 1 483.665 1.702 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508266297 1073031939 /nfs/dbraw/zinc/03/19/39/1073031939.db2.gz ATQAJVHJKBKQAJ-VVSUKSJXSA-N 2 1 475.682 1.890 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C)CC1 ZINC001508266292 1073032139 /nfs/dbraw/zinc/03/21/39/1073032139.db2.gz ATQAJVHJKBKQAJ-CUDBPUKSSA-N 2 1 475.682 1.890 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C)CC1 ZINC001508266292 1073032145 /nfs/dbraw/zinc/03/21/45/1073032145.db2.gz ATQAJVHJKBKQAJ-CUDBPUKSSA-N 2 1 475.682 1.890 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C[C@H]2C)CC1 ZINC001508267369 1073033711 /nfs/dbraw/zinc/03/37/11/1073033711.db2.gz DHIGTQNOXQQZSI-BAGYTPMASA-N 2 1 490.697 1.381 20 0 JDADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508274678 1073044178 /nfs/dbraw/zinc/04/41/78/1073044178.db2.gz QZBZDEBCNXXLRF-FPOVZHCZSA-N 2 1 476.670 1.135 20 0 JDADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508274678 1073044186 /nfs/dbraw/zinc/04/41/86/1073044186.db2.gz QZBZDEBCNXXLRF-FPOVZHCZSA-N 2 1 476.670 1.135 20 0 JDADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001508275407 1073046291 /nfs/dbraw/zinc/04/62/91/1073046291.db2.gz TVGKLDLZFSPEOC-MDNUFGMLSA-N 2 1 475.682 1.890 20 0 JDADMP CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001509116562 1073505990 /nfs/dbraw/zinc/50/59/90/1073505990.db2.gz CRONZMXKRZOGOE-QHAWAJNXSA-N 2 1 461.655 1.849 20 0 JDADMP CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509423529 1073597211 /nfs/dbraw/zinc/59/72/11/1073597211.db2.gz UVBYBDRBGQEVGO-OAQYLSRUSA-N 2 1 471.654 1.399 20 0 JDADMP CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509423525 1073597472 /nfs/dbraw/zinc/59/74/72/1073597472.db2.gz UVBYBDRBGQEVGO-NRFANRHFSA-N 2 1 471.654 1.399 20 0 JDADMP CC(C)C[N@@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC001509433521 1073614931 /nfs/dbraw/zinc/61/49/31/1073614931.db2.gz JMLRJOYDLAPWQJ-QFIPXVFZSA-N 2 1 475.682 1.893 20 0 JDADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC001509433521 1073614937 /nfs/dbraw/zinc/61/49/37/1073614937.db2.gz JMLRJOYDLAPWQJ-QFIPXVFZSA-N 2 1 475.682 1.893 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC001509433521 1073614943 /nfs/dbraw/zinc/61/49/43/1073614943.db2.gz JMLRJOYDLAPWQJ-QFIPXVFZSA-N 2 1 475.682 1.893 20 0 JDADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC001509433521 1073614952 /nfs/dbraw/zinc/61/49/52/1073614952.db2.gz JMLRJOYDLAPWQJ-QFIPXVFZSA-N 2 1 475.682 1.893 20 0 JDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001509436633 1073617614 /nfs/dbraw/zinc/61/76/14/1073617614.db2.gz SKNHOQUEICOFRP-RTWAWAEBSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001509436633 1073617622 /nfs/dbraw/zinc/61/76/22/1073617622.db2.gz SKNHOQUEICOFRP-RTWAWAEBSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001509436633 1073617628 /nfs/dbraw/zinc/61/76/28/1073617628.db2.gz SKNHOQUEICOFRP-RTWAWAEBSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001509517329 1073660521 /nfs/dbraw/zinc/66/05/21/1073660521.db2.gz CIJMDVCESXKCFV-NHCUHLMSSA-N 2 1 482.695 1.459 20 0 JDADMP CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509527527 1073668126 /nfs/dbraw/zinc/66/81/26/1073668126.db2.gz LIPALWWQOCDKQN-BDTNDASRSA-N 2 1 495.738 1.515 20 0 JDADMP CC(C)[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509527527 1073668130 /nfs/dbraw/zinc/66/81/30/1073668130.db2.gz LIPALWWQOCDKQN-BDTNDASRSA-N 2 1 495.738 1.515 20 0 JDADMP CC(C)[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509527527 1073668132 /nfs/dbraw/zinc/66/81/32/1073668132.db2.gz LIPALWWQOCDKQN-BDTNDASRSA-N 2 1 495.738 1.515 20 0 JDADMP CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001509528193 1073669030 /nfs/dbraw/zinc/66/90/30/1073669030.db2.gz QPLXWCYNXVGDIP-NRFANRHFSA-N 2 1 454.623 1.347 20 0 JDADMP CC(C)[NH+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001509528193 1073669050 /nfs/dbraw/zinc/66/90/50/1073669050.db2.gz QPLXWCYNXVGDIP-NRFANRHFSA-N 2 1 454.623 1.347 20 0 JDADMP CC(C)[NH+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001509528193 1073669063 /nfs/dbraw/zinc/66/90/63/1073669063.db2.gz QPLXWCYNXVGDIP-NRFANRHFSA-N 2 1 454.623 1.347 20 0 JDADMP CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)C ZINC001509550231 1073675262 /nfs/dbraw/zinc/67/52/62/1073675262.db2.gz WDAZMRISQJSZIP-NHCUHLMSSA-N 2 1 461.655 1.644 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561308 1073682925 /nfs/dbraw/zinc/68/29/25/1073682925.db2.gz RAEBAGOMRVMXNG-WOJBJXKFSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561308 1073682930 /nfs/dbraw/zinc/68/29/30/1073682930.db2.gz RAEBAGOMRVMXNG-WOJBJXKFSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561308 1073682934 /nfs/dbraw/zinc/68/29/34/1073682934.db2.gz RAEBAGOMRVMXNG-WOJBJXKFSA-N 2 1 474.654 1.092 20 0 JDADMP CC(C)[NH+]1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001509565456 1073687388 /nfs/dbraw/zinc/68/73/88/1073687388.db2.gz RIPBMYMMBGACPW-UHFFFAOYSA-N 2 1 461.655 1.670 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001509612897 1073736490 /nfs/dbraw/zinc/73/64/90/1073736490.db2.gz DTIWGJLUXWPNNE-CTNGQTDRSA-N 2 1 461.655 1.838 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001509612897 1073736500 /nfs/dbraw/zinc/73/65/00/1073736500.db2.gz DTIWGJLUXWPNNE-CTNGQTDRSA-N 2 1 461.655 1.838 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001509612939 1073737349 /nfs/dbraw/zinc/73/73/49/1073737349.db2.gz DTIWGJLUXWPNNE-TZIWHRDSSA-N 2 1 461.655 1.838 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001509612939 1073737359 /nfs/dbraw/zinc/73/73/59/1073737359.db2.gz DTIWGJLUXWPNNE-TZIWHRDSSA-N 2 1 461.655 1.838 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001509615734 1073738885 /nfs/dbraw/zinc/73/88/85/1073738885.db2.gz JJNFEMNSMIZMQB-OFNKIYASSA-N 2 1 499.660 1.562 20 0 JDADMP CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001509615720 1073738985 /nfs/dbraw/zinc/73/89/85/1073738985.db2.gz JJNFEMNSMIZMQB-NFBKMPQASA-N 2 1 499.660 1.562 20 0 JDADMP CCC[N@H+](CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001500778124 1069309660 /nfs/dbraw/zinc/30/96/60/1069309660.db2.gz CRBYNZGADCNODC-FQEVSTJZSA-N 2 1 476.647 1.601 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001500778124 1069309670 /nfs/dbraw/zinc/30/96/70/1069309670.db2.gz CRBYNZGADCNODC-FQEVSTJZSA-N 2 1 476.647 1.601 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001500778124 1069309688 /nfs/dbraw/zinc/30/96/88/1069309688.db2.gz CRBYNZGADCNODC-FQEVSTJZSA-N 2 1 476.647 1.601 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001500778124 1069309707 /nfs/dbraw/zinc/30/97/07/1069309707.db2.gz CRBYNZGADCNODC-FQEVSTJZSA-N 2 1 476.647 1.601 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4CCC5(CC([NH3+])C5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164387224 718802170 /nfs/dbraw/zinc/80/21/70/718802170.db2.gz JPBGCIISVSWXNC-UHFFFAOYSA-N 2 1 471.675 1.983 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@H](C5([NH3+])CC5)[C@H](CF)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164624175 719121506 /nfs/dbraw/zinc/12/15/06/719121506.db2.gz UHKOBSASBDSAHY-MJGOQNOKSA-N 2 1 489.665 1.789 20 0 JDADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CCC2 ZINC001164813440 720234868 /nfs/dbraw/zinc/23/48/68/720234868.db2.gz OGLPBJHOLKGHRS-UHFFFAOYSA-N 2 1 467.622 1.879 20 0 JDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CCC2 ZINC001164813440 720234884 /nfs/dbraw/zinc/23/48/84/720234884.db2.gz OGLPBJHOLKGHRS-UHFFFAOYSA-N 2 1 467.622 1.879 20 0 JDADMP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)CC1 ZINC001164823360 720329438 /nfs/dbraw/zinc/32/94/38/720329438.db2.gz AVJPLGCZRICULK-SFTDATJTSA-N 2 1 470.618 1.778 20 0 JDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839422 720507743 /nfs/dbraw/zinc/50/77/43/720507743.db2.gz UECDPTZAWXXVQQ-BBTUJRGHSA-N 2 1 473.647 1.143 20 0 JDADMP O=C(c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CC[NH2+]CC1 ZINC001164746653 720837629 /nfs/dbraw/zinc/83/76/29/720837629.db2.gz PVLFJCIDCVJPJC-KCZVDYSFSA-N 2 1 450.591 1.098 20 0 JDADMP C[N@@H+](Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793527 721475311 /nfs/dbraw/zinc/47/53/11/721475311.db2.gz WXZLBNXNIYVUHE-PMACEKPBSA-N 2 1 454.600 1.156 20 0 JDADMP Cc1nc(CN2CCOC[C@]3(CN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)CCO3)C2)cs1 ZINC001164920403 721830046 /nfs/dbraw/zinc/83/00/46/721830046.db2.gz CVQXOSCNPFXOQH-JOCHJYFZSA-N 2 1 459.620 1.277 20 0 JDADMP CS(=O)(=O)c1nc2c(c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n1)CC[NH2+]CC2 ZINC001164955825 722012148 /nfs/dbraw/zinc/01/21/48/722012148.db2.gz ZUVPWADDRLDHGT-UHFFFAOYSA-N 2 1 456.616 1.456 20 0 JDADMP CS(=O)(=O)c1nc2c(c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n1)CC[NH2+]CC2 ZINC001164955825 722012152 /nfs/dbraw/zinc/01/21/52/722012152.db2.gz ZUVPWADDRLDHGT-UHFFFAOYSA-N 2 1 456.616 1.456 20 0 JDADMP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164985423 722136858 /nfs/dbraw/zinc/13/68/58/722136858.db2.gz ZKLBPSJODFIUCV-KNQAVFIVSA-N 2 1 451.575 1.039 20 0 JDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164985423 722136859 /nfs/dbraw/zinc/13/68/59/722136859.db2.gz ZKLBPSJODFIUCV-KNQAVFIVSA-N 2 1 451.575 1.039 20 0 JDADMP CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001500783794 1069310415 /nfs/dbraw/zinc/31/04/15/1069310415.db2.gz AOVWTNWSCIHEJT-FQEVSTJZSA-N 2 1 457.627 1.153 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001500783794 1069310433 /nfs/dbraw/zinc/31/04/33/1069310433.db2.gz AOVWTNWSCIHEJT-FQEVSTJZSA-N 2 1 457.627 1.153 20 0 JDADMP CCC[NH+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001500783794 1069310450 /nfs/dbraw/zinc/31/04/50/1069310450.db2.gz AOVWTNWSCIHEJT-FQEVSTJZSA-N 2 1 457.627 1.153 20 0 JDADMP CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001500788236 1069313245 /nfs/dbraw/zinc/31/32/45/1069313245.db2.gz ZUYZMQARAKEUII-JOCHJYFZSA-N 2 1 474.698 1.956 20 0 JDADMP CCC[N@@H+](CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001500789986 1069314868 /nfs/dbraw/zinc/31/48/68/1069314868.db2.gz MZGGBYBYFHAZBQ-IBGZPJMESA-N 2 1 485.699 1.263 20 0 JDADMP CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001500918626 1069327665 /nfs/dbraw/zinc/32/76/65/1069327665.db2.gz UZEIUUHILCJEHR-OAQYLSRUSA-N 2 1 461.655 1.697 20 0 JDADMP CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001500918775 1069328699 /nfs/dbraw/zinc/32/86/99/1069328699.db2.gz YENXDZOERDHNQD-NHCUHLMSSA-N 2 1 461.655 1.697 20 0 JDADMP CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001500918775 1069328717 /nfs/dbraw/zinc/32/87/17/1069328717.db2.gz YENXDZOERDHNQD-NHCUHLMSSA-N 2 1 461.655 1.697 20 0 JDADMP CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001500928093 1069332186 /nfs/dbraw/zinc/33/21/86/1069332186.db2.gz LGBGRWKECIPEGG-HXUWFJFHSA-N 2 1 490.674 1.849 20 0 JDADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001500928093 1069332205 /nfs/dbraw/zinc/33/22/05/1069332205.db2.gz LGBGRWKECIPEGG-HXUWFJFHSA-N 2 1 490.674 1.849 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001500964410 1069341548 /nfs/dbraw/zinc/34/15/48/1069341548.db2.gz OWBJTFONLRUKGA-SFHVURJKSA-N 2 1 453.657 1.461 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCOCC2)CC1 ZINC001500964717 1069341628 /nfs/dbraw/zinc/34/16/28/1069341628.db2.gz SOLMUAKVPSKYAX-UHFFFAOYSA-N 2 1 470.622 1.958 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001500964107 1069341752 /nfs/dbraw/zinc/34/17/52/1069341752.db2.gz LHAJQNWYSDUJHE-SFHVURJKSA-N 2 1 485.699 1.310 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001500964107 1069341767 /nfs/dbraw/zinc/34/17/67/1069341767.db2.gz LHAJQNWYSDUJHE-SFHVURJKSA-N 2 1 485.699 1.310 20 0 JDADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001500972405 1069342959 /nfs/dbraw/zinc/34/29/59/1069342959.db2.gz FSHLURCKEWMBOW-OAQYLSRUSA-N 2 1 460.671 1.567 20 0 JDADMP CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001501052858 1069370343 /nfs/dbraw/zinc/37/03/43/1069370343.db2.gz AGNZAKXQYSFGBG-VQTJNVASSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001501052858 1069370348 /nfs/dbraw/zinc/37/03/48/1069370348.db2.gz AGNZAKXQYSFGBG-VQTJNVASSA-N 2 1 461.655 1.898 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001501040435 1069367928 /nfs/dbraw/zinc/36/79/28/1069367928.db2.gz ITVUCUMWOZTDMU-ROUUACIJSA-N 2 1 455.673 1.683 20 0 JDADMP CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001501040621 1069368591 /nfs/dbraw/zinc/36/85/91/1069368591.db2.gz LBDKGXMNKGHPSI-CNNODRBYSA-N 2 1 483.683 1.064 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001501040621 1069368601 /nfs/dbraw/zinc/36/86/01/1069368601.db2.gz LBDKGXMNKGHPSI-CNNODRBYSA-N 2 1 483.683 1.064 20 0 JDADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001501056344 1069371365 /nfs/dbraw/zinc/37/13/65/1069371365.db2.gz UXHLFRKOBGQKOP-LEWJYISDSA-N 2 1 497.710 1.263 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCSCC2)CC1 ZINC001501773895 1069633652 /nfs/dbraw/zinc/63/36/52/1069633652.db2.gz FHTJJJVBIIBDIN-UHFFFAOYSA-N 2 1 474.679 1.703 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCSCC2)CC1 ZINC001501773895 1069633666 /nfs/dbraw/zinc/63/36/66/1069633666.db2.gz FHTJJJVBIIBDIN-UHFFFAOYSA-N 2 1 474.679 1.703 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001501774612 1069637237 /nfs/dbraw/zinc/63/72/37/1069637237.db2.gz KDTYTYIFYYWUKY-UHFFFAOYSA-N 2 1 485.681 1.934 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001501774612 1069637255 /nfs/dbraw/zinc/63/72/55/1069637255.db2.gz KDTYTYIFYYWUKY-UHFFFAOYSA-N 2 1 485.681 1.934 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001501774859 1069641344 /nfs/dbraw/zinc/64/13/44/1069641344.db2.gz MBTKZYNXVSXLFE-WOJBJXKFSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001501774859 1069641360 /nfs/dbraw/zinc/64/13/60/1069641360.db2.gz MBTKZYNXVSXLFE-WOJBJXKFSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001501774859 1069641372 /nfs/dbraw/zinc/64/13/72/1069641372.db2.gz MBTKZYNXVSXLFE-WOJBJXKFSA-N 2 1 474.654 1.094 20 0 JDADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001501774859 1069641375 /nfs/dbraw/zinc/64/13/75/1069641375.db2.gz MBTKZYNXVSXLFE-WOJBJXKFSA-N 2 1 474.654 1.094 20 0 JDADMP CCc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N(CC)CC)CC3)n2C[C@@]2(O)CC[NH+](C)C2)cc1 ZINC001546209661 1069669908 /nfs/dbraw/zinc/66/99/08/1069669908.db2.gz ZSYOSPNPHDCCLD-HHHXNRCGSA-N 2 1 497.688 1.955 20 0 JDADMP CCc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N(CC)CC)CC3)n2C[C@@]2(O)CC[NH+](C)C2)cc1 ZINC001546209661 1069669944 /nfs/dbraw/zinc/66/99/44/1069669944.db2.gz ZSYOSPNPHDCCLD-HHHXNRCGSA-N 2 1 497.688 1.955 20 0 JDADMP CCc1ccc(-c2nnc(N3CCC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001546209661 1069669979 /nfs/dbraw/zinc/66/99/79/1069669979.db2.gz ZSYOSPNPHDCCLD-HHHXNRCGSA-N 2 1 497.688 1.955 20 0 JDADMP CCc1ccc(-c2nnc(N3CCC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001546209661 1069669993 /nfs/dbraw/zinc/66/99/93/1069669993.db2.gz ZSYOSPNPHDCCLD-HHHXNRCGSA-N 2 1 497.688 1.955 20 0 JDADMP CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NCC(=O)N2CC[NH+](C)CC2)ccc1Cl ZINC001476297319 1069674599 /nfs/dbraw/zinc/67/45/99/1069674599.db2.gz PAZSBICSMYHZSX-UHFFFAOYSA-N 2 1 452.987 1.307 20 0 JDADMP CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)CC1 ZINC001501887076 1069753426 /nfs/dbraw/zinc/75/34/26/1069753426.db2.gz HPSOCFZVBXJKOG-INIZCTEOSA-N 2 1 452.629 1.404 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001501907331 1069793171 /nfs/dbraw/zinc/79/31/71/1069793171.db2.gz UIPFCAKSIVJUOA-FCHUYYIVSA-N 2 1 491.681 1.478 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCn2cc[nH+]c2C)CC1 ZINC001501909492 1069798663 /nfs/dbraw/zinc/79/86/63/1069798663.db2.gz BXQYOVGQDZHBPD-UHFFFAOYSA-N 2 1 485.662 1.829 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501910313 1069800359 /nfs/dbraw/zinc/80/03/59/1069800359.db2.gz RQHHZCPVFXOJKW-SANMLTNESA-N 2 1 499.660 1.223 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501910312 1069800486 /nfs/dbraw/zinc/80/04/86/1069800486.db2.gz RQHHZCPVFXOJKW-AREMUKBSSA-N 2 1 499.660 1.223 20 0 JDADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001501910697 1069800816 /nfs/dbraw/zinc/80/08/16/1069800816.db2.gz XWDCBCPFKPBOQA-NHCUHLMSSA-N 2 1 477.654 1.088 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001501951716 1069806099 /nfs/dbraw/zinc/80/60/99/1069806099.db2.gz FNQGWIZZISUDJI-BVSLBCMMSA-N 2 1 488.681 1.340 20 0 JDADMP CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951571 1069806106 /nfs/dbraw/zinc/80/61/06/1069806106.db2.gz BGXAOSOPNZRGHR-NFBKMPQASA-N 2 1 483.665 1.846 20 0 JDADMP CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001501954555 1069806694 /nfs/dbraw/zinc/80/66/94/1069806694.db2.gz DNJQGXJPRGZWGK-PMACEKPBSA-N 2 1 483.683 1.017 20 0 JDADMP CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001501954557 1069806816 /nfs/dbraw/zinc/80/68/16/1069806816.db2.gz DNJQGXJPRGZWGK-VQTJNVASSA-N 2 1 483.683 1.017 20 0 JDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC001477250709 1069807678 /nfs/dbraw/zinc/80/76/78/1069807678.db2.gz SEWAKWXDQNWMML-UHFFFAOYSA-N 2 1 458.651 1.566 20 0 JDADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001501980821 1069810616 /nfs/dbraw/zinc/81/06/16/1069810616.db2.gz MGLJJAHZKGAOBG-CIAFKFPVSA-N 2 1 474.698 1.954 20 0 JDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001477385858 1069817926 /nfs/dbraw/zinc/81/79/26/1069817926.db2.gz KKILUGMTMLBPLX-UHFFFAOYSA-N 2 1 455.644 1.929 20 0 JDADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC001477436175 1069824027 /nfs/dbraw/zinc/82/40/27/1069824027.db2.gz NASZYTFPGIGYIY-FQEVSTJZSA-N 2 1 452.607 1.909 20 0 JDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C[C@H](C)O1 ZINC001477408882 1069820258 /nfs/dbraw/zinc/82/02/58/1069820258.db2.gz KXVXSSVEBIJRQA-KDURUIRLSA-N 2 1 453.672 2.000 20 0 JDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C[C@H](C)O1 ZINC001477408882 1069820259 /nfs/dbraw/zinc/82/02/59/1069820259.db2.gz KXVXSSVEBIJRQA-KDURUIRLSA-N 2 1 453.672 2.000 20 0 JDADMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cn2)CC1 ZINC001477413096 1069821151 /nfs/dbraw/zinc/82/11/51/1069821151.db2.gz JGQBCXLDMJLDRU-XZOQPEGZSA-N 2 1 452.603 1.516 20 0 JDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[NH+]4CC(=O)N(C)C)c2)CCO1 ZINC001477573629 1069834873 /nfs/dbraw/zinc/83/48/73/1069834873.db2.gz VCUHHHKGNGUHHY-JJXTWPQTSA-N 2 1 457.619 1.790 20 0 JDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[NH+]4CC(=O)N(C)C)c2)CCO1 ZINC001477573629 1069834874 /nfs/dbraw/zinc/83/48/74/1069834874.db2.gz VCUHHHKGNGUHHY-JJXTWPQTSA-N 2 1 457.619 1.790 20 0 JDADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)c2)CCO1 ZINC001477573629 1069834876 /nfs/dbraw/zinc/83/48/76/1069834876.db2.gz VCUHHHKGNGUHHY-JJXTWPQTSA-N 2 1 457.619 1.790 20 0 JDADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)c2)CCO1 ZINC001477573629 1069834877 /nfs/dbraw/zinc/83/48/77/1069834877.db2.gz VCUHHHKGNGUHHY-JJXTWPQTSA-N 2 1 457.619 1.790 20 0 JDADMP CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001502185725 1069846980 /nfs/dbraw/zinc/84/69/80/1069846980.db2.gz NHZKDFFYXZEQEY-RTBURBONSA-N 2 1 455.673 1.683 20 0 JDADMP CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502195797 1069851370 /nfs/dbraw/zinc/85/13/70/1069851370.db2.gz BWIRABLYGILMFY-HXUWFJFHSA-N 2 1 457.627 1.405 20 0 JDADMP CC[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502195797 1069851372 /nfs/dbraw/zinc/85/13/72/1069851372.db2.gz BWIRABLYGILMFY-HXUWFJFHSA-N 2 1 457.627 1.405 20 0 JDADMP CC[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502195797 1069851373 /nfs/dbraw/zinc/85/13/73/1069851373.db2.gz BWIRABLYGILMFY-HXUWFJFHSA-N 2 1 457.627 1.405 20 0 JDADMP CC[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C)C(C)C ZINC001502199229 1069854179 /nfs/dbraw/zinc/85/41/79/1069854179.db2.gz GYDZCYJWUYOSCK-AABGKKOBSA-N 2 1 485.699 1.260 20 0 JDADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)C(C)C ZINC001502199229 1069854181 /nfs/dbraw/zinc/85/41/81/1069854181.db2.gz GYDZCYJWUYOSCK-AABGKKOBSA-N 2 1 485.699 1.260 20 0 JDADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)C(C)C ZINC001502199229 1069854182 /nfs/dbraw/zinc/85/41/82/1069854182.db2.gz GYDZCYJWUYOSCK-AABGKKOBSA-N 2 1 485.699 1.260 20 0 JDADMP CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502203449 1069857207 /nfs/dbraw/zinc/85/72/07/1069857207.db2.gz MIRWEFSCENIKSI-QGZVFWFLSA-N 2 1 473.544 1.196 20 0 JDADMP CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502203449 1069857208 /nfs/dbraw/zinc/85/72/08/1069857208.db2.gz MIRWEFSCENIKSI-QGZVFWFLSA-N 2 1 473.544 1.196 20 0 JDADMP CC[NH+](CCn1c(CN2CCCC2=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502203449 1069857213 /nfs/dbraw/zinc/85/72/13/1069857213.db2.gz MIRWEFSCENIKSI-QGZVFWFLSA-N 2 1 473.544 1.196 20 0 JDADMP CC[NH+](CCn1c(CN2CCCC2=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502203449 1069857216 /nfs/dbraw/zinc/85/72/16/1069857216.db2.gz MIRWEFSCENIKSI-QGZVFWFLSA-N 2 1 473.544 1.196 20 0 JDADMP CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502204103 1069857493 /nfs/dbraw/zinc/85/74/93/1069857493.db2.gz HFQIEEPRIXSPCM-IBGZPJMESA-N 2 1 484.571 1.935 20 0 JDADMP CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502204103 1069857494 /nfs/dbraw/zinc/85/74/94/1069857494.db2.gz HFQIEEPRIXSPCM-IBGZPJMESA-N 2 1 484.571 1.935 20 0 JDADMP CC[NH+](CCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502204103 1069857497 /nfs/dbraw/zinc/85/74/97/1069857497.db2.gz HFQIEEPRIXSPCM-IBGZPJMESA-N 2 1 484.571 1.935 20 0 JDADMP CC[NH+](CCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502204103 1069857499 /nfs/dbraw/zinc/85/74/99/1069857499.db2.gz HFQIEEPRIXSPCM-IBGZPJMESA-N 2 1 484.571 1.935 20 0 JDADMP C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1Cc1ccccc1 ZINC001477812138 1069862372 /nfs/dbraw/zinc/86/23/72/1069862372.db2.gz IMNZNNRYYTVMEH-HSZRJFAPSA-N 2 1 451.619 1.947 20 0 JDADMP C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1Cc1ccccc1 ZINC001477812138 1069862373 /nfs/dbraw/zinc/86/23/73/1069862373.db2.gz IMNZNNRYYTVMEH-HSZRJFAPSA-N 2 1 451.619 1.947 20 0 JDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001477974805 1069885776 /nfs/dbraw/zinc/88/57/76/1069885776.db2.gz TWYZJQODVDIEJP-QFIPXVFZSA-N 2 1 457.667 1.651 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001502245001 1069917879 /nfs/dbraw/zinc/91/78/79/1069917879.db2.gz NRWJXLXRXFLPQT-MOPGFXCFSA-N 2 1 470.622 1.955 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001502255981 1069945774 /nfs/dbraw/zinc/94/57/74/1069945774.db2.gz SFBUZYRNUQAGJT-SVFBPWRDSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001502255981 1069945808 /nfs/dbraw/zinc/94/58/08/1069945808.db2.gz SFBUZYRNUQAGJT-SVFBPWRDSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001502255981 1069945836 /nfs/dbraw/zinc/94/58/36/1069945836.db2.gz SFBUZYRNUQAGJT-SVFBPWRDSA-N 2 1 460.671 1.422 20 0 JDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001502258148 1069957789 /nfs/dbraw/zinc/95/77/89/1069957789.db2.gz UURMBLGEHNCWHW-JPLJXNOCSA-N 2 1 483.683 1.013 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001502258148 1069957801 /nfs/dbraw/zinc/95/78/01/1069957801.db2.gz UURMBLGEHNCWHW-JPLJXNOCSA-N 2 1 483.683 1.013 20 0 JDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001502258148 1069957812 /nfs/dbraw/zinc/95/78/12/1069957812.db2.gz UURMBLGEHNCWHW-JPLJXNOCSA-N 2 1 483.683 1.013 20 0 JDADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001502262472 1069965833 /nfs/dbraw/zinc/96/58/33/1069965833.db2.gz ZKIXWOQAMKWGCG-RTBURBONSA-N 2 1 475.663 1.911 20 0 JDADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001502262472 1069965868 /nfs/dbraw/zinc/96/58/68/1069965868.db2.gz ZKIXWOQAMKWGCG-RTBURBONSA-N 2 1 475.663 1.911 20 0 JDADMP CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001502281528 1070013264 /nfs/dbraw/zinc/01/32/64/1070013264.db2.gz JMRPAYDTTHDLIL-HKUYNNGSSA-N 2 1 453.657 1.437 20 0 JDADMP CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502291797 1070031682 /nfs/dbraw/zinc/03/16/82/1070031682.db2.gz HSGQHXFXQICKQI-NNWRFLSQSA-N 2 1 488.681 1.280 20 0 JDADMP CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502291797 1070031701 /nfs/dbraw/zinc/03/17/01/1070031701.db2.gz HSGQHXFXQICKQI-NNWRFLSQSA-N 2 1 488.681 1.280 20 0 JDADMP CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001502291795 1070031396 /nfs/dbraw/zinc/03/13/96/1070031396.db2.gz HSGQHXFXQICKQI-FCEUIQTBSA-N 2 1 488.681 1.280 20 0 JDADMP CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001502291795 1070031410 /nfs/dbraw/zinc/03/14/10/1070031410.db2.gz HSGQHXFXQICKQI-FCEUIQTBSA-N 2 1 488.681 1.280 20 0 JDADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@H+](C)C3)CC2)CC1 ZINC001502309011 1070065033 /nfs/dbraw/zinc/06/50/33/1070065033.db2.gz RPZKBYACEPSRPQ-DEOSSOPVSA-N 2 1 461.655 1.239 20 0 JDADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC001502309011 1070065048 /nfs/dbraw/zinc/06/50/48/1070065048.db2.gz RPZKBYACEPSRPQ-DEOSSOPVSA-N 2 1 461.655 1.239 20 0 JDADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)CC2)CC1 ZINC001502309012 1070065250 /nfs/dbraw/zinc/06/52/50/1070065250.db2.gz RPZKBYACEPSRPQ-XMMPIXPASA-N 2 1 461.655 1.239 20 0 JDADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC001502309012 1070065266 /nfs/dbraw/zinc/06/52/66/1070065266.db2.gz RPZKBYACEPSRPQ-XMMPIXPASA-N 2 1 461.655 1.239 20 0 JDADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC001502312907 1070085674 /nfs/dbraw/zinc/08/56/74/1070085674.db2.gz UYBHKLVPIZJXSY-LEWJYISDSA-N 2 1 455.655 1.929 20 0 JDADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001502313082 1070087364 /nfs/dbraw/zinc/08/73/64/1070087364.db2.gz XRALWGMOSNQJJZ-QHCPKHFHSA-N 2 1 496.704 1.962 20 0 JDADMP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502315174 1070097779 /nfs/dbraw/zinc/09/77/79/1070097779.db2.gz IILRLHVDOLNGTB-FGZHOGPDSA-N 2 1 470.666 1.447 20 0 JDADMP CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001502316602 1070114764 /nfs/dbraw/zinc/11/47/64/1070114764.db2.gz MVSLXIMMCWASNH-FCHUYYIVSA-N 2 1 463.671 1.703 20 0 JDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2Cc2ccc(N3CC[NH+](CC)CC3)nc2)CC1 ZINC001502316500 1070113265 /nfs/dbraw/zinc/11/32/65/1070113265.db2.gz KXMRFLRLTHWXQL-UHFFFAOYSA-N 2 1 497.692 1.552 20 0 JDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2Cc2ccc(N3CC[NH+](CC)CC3)nc2)CC1 ZINC001502316500 1070113278 /nfs/dbraw/zinc/11/32/78/1070113278.db2.gz KXMRFLRLTHWXQL-UHFFFAOYSA-N 2 1 497.692 1.552 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502317869 1070123670 /nfs/dbraw/zinc/12/36/70/1070123670.db2.gz PNCSRYQXPSQKQB-HXOBKFHXSA-N 2 1 476.025 1.459 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001502317869 1070123676 /nfs/dbraw/zinc/12/36/76/1070123676.db2.gz PNCSRYQXPSQKQB-HXOBKFHXSA-N 2 1 476.025 1.459 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001502317869 1070123680 /nfs/dbraw/zinc/12/36/80/1070123680.db2.gz PNCSRYQXPSQKQB-HXOBKFHXSA-N 2 1 476.025 1.459 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502318248 1070128249 /nfs/dbraw/zinc/12/82/49/1070128249.db2.gz XLPPKEXKBUZOEZ-XWSJACJDSA-N 2 1 485.699 1.307 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502318249 1070128797 /nfs/dbraw/zinc/12/87/97/1070128797.db2.gz XLPPKEXKBUZOEZ-YRXWBPOGSA-N 2 1 485.699 1.307 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502318249 1070128807 /nfs/dbraw/zinc/12/88/07/1070128807.db2.gz XLPPKEXKBUZOEZ-YRXWBPOGSA-N 2 1 485.699 1.307 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502318249 1070128824 /nfs/dbraw/zinc/12/88/24/1070128824.db2.gz XLPPKEXKBUZOEZ-YRXWBPOGSA-N 2 1 485.699 1.307 20 0 JDADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001502318198 1070125431 /nfs/dbraw/zinc/12/54/31/1070125431.db2.gz WGNIKYQSZLGBBL-UXHICEINSA-N 2 1 470.622 1.813 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001502318198 1070125449 /nfs/dbraw/zinc/12/54/49/1070125449.db2.gz WGNIKYQSZLGBBL-UXHICEINSA-N 2 1 470.622 1.813 20 0 JDADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001502318198 1070125473 /nfs/dbraw/zinc/12/54/73/1070125473.db2.gz WGNIKYQSZLGBBL-UXHICEINSA-N 2 1 470.622 1.813 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001502319141 1070133028 /nfs/dbraw/zinc/13/30/28/1070133028.db2.gz LKKKGPAZBVDTRB-UFYCRDLUSA-N 2 1 469.700 1.931 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001502319141 1070133042 /nfs/dbraw/zinc/13/30/42/1070133042.db2.gz LKKKGPAZBVDTRB-UFYCRDLUSA-N 2 1 469.700 1.931 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001502319141 1070133062 /nfs/dbraw/zinc/13/30/62/1070133062.db2.gz LKKKGPAZBVDTRB-UFYCRDLUSA-N 2 1 469.700 1.931 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001502319142 1070133226 /nfs/dbraw/zinc/13/32/26/1070133226.db2.gz LKKKGPAZBVDTRB-ZCNNSNEGSA-N 2 1 469.700 1.931 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001502319142 1070133252 /nfs/dbraw/zinc/13/32/52/1070133252.db2.gz LKKKGPAZBVDTRB-ZCNNSNEGSA-N 2 1 469.700 1.931 20 0 JDADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001502319142 1070133265 /nfs/dbraw/zinc/13/32/65/1070133265.db2.gz LKKKGPAZBVDTRB-ZCNNSNEGSA-N 2 1 469.700 1.931 20 0 JDADMP CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001502320690 1070138039 /nfs/dbraw/zinc/13/80/39/1070138039.db2.gz MVVGDSZPPYKIDA-ZWKOTPCHSA-N 2 1 463.652 1.676 20 0 JDADMP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001502332013 1070167580 /nfs/dbraw/zinc/16/75/80/1070167580.db2.gz BGZBUCWNVHMGFU-OAQYLSRUSA-N 2 1 460.671 1.461 20 0 JDADMP CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001502332086 1070170092 /nfs/dbraw/zinc/17/00/92/1070170092.db2.gz CUCYFWNRERHDKY-ACRUOGEOSA-N 2 1 450.628 1.645 20 0 JDADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334674 1070188433 /nfs/dbraw/zinc/18/84/33/1070188433.db2.gz NMLNTJWZDREIRN-NJDAHSKKSA-N 2 1 460.671 1.422 20 0 JDADMP CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502343769 1070243781 /nfs/dbraw/zinc/24/37/81/1070243781.db2.gz UGLNGOVHXDGJMX-FDFHNCONSA-N 2 1 463.671 1.213 20 0 JDADMP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001502343955 1070248495 /nfs/dbraw/zinc/24/84/95/1070248495.db2.gz WZLKQUKGRZHDHY-RTWAWAEBSA-N 2 1 460.671 1.281 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268101 1070273318 /nfs/dbraw/zinc/27/33/18/1070273318.db2.gz YGCQDEONCLZANP-MHTWAQMVSA-N 2 1 481.711 1.931 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493268101 1070273331 /nfs/dbraw/zinc/27/33/31/1070273331.db2.gz YGCQDEONCLZANP-MHTWAQMVSA-N 2 1 481.711 1.931 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493268101 1070273350 /nfs/dbraw/zinc/27/33/50/1070273350.db2.gz YGCQDEONCLZANP-MHTWAQMVSA-N 2 1 481.711 1.931 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268104 1070274182 /nfs/dbraw/zinc/27/41/82/1070274182.db2.gz YGCQDEONCLZANP-PLACYPQZSA-N 2 1 481.711 1.931 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493268104 1070274201 /nfs/dbraw/zinc/27/42/01/1070274201.db2.gz YGCQDEONCLZANP-PLACYPQZSA-N 2 1 481.711 1.931 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001493268104 1070274224 /nfs/dbraw/zinc/27/42/24/1070274224.db2.gz YGCQDEONCLZANP-PLACYPQZSA-N 2 1 481.711 1.931 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352679 1070274393 /nfs/dbraw/zinc/27/43/93/1070274393.db2.gz KYWKKSUHVMYXSH-ISKFKSNPSA-N 2 1 488.725 1.808 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352679 1070274415 /nfs/dbraw/zinc/27/44/15/1070274415.db2.gz KYWKKSUHVMYXSH-ISKFKSNPSA-N 2 1 488.725 1.808 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352679 1070274439 /nfs/dbraw/zinc/27/44/39/1070274439.db2.gz KYWKKSUHVMYXSH-ISKFKSNPSA-N 2 1 488.725 1.808 20 0 JDADMP CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC001502352990 1070278643 /nfs/dbraw/zinc/27/86/43/1070278643.db2.gz UPQBGNZNLOICCY-NRFANRHFSA-N 2 1 474.698 1.755 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC001502352990 1070278668 /nfs/dbraw/zinc/27/86/68/1070278668.db2.gz UPQBGNZNLOICCY-NRFANRHFSA-N 2 1 474.698 1.755 20 0 JDADMP CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC001502352990 1070278698 /nfs/dbraw/zinc/27/86/98/1070278698.db2.gz UPQBGNZNLOICCY-NRFANRHFSA-N 2 1 474.698 1.755 20 0 JDADMP C[C@H]1CCC[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001493804767 1070351572 /nfs/dbraw/zinc/35/15/72/1070351572.db2.gz IDFXYYNIKKAMBG-VQTJNVASSA-N 2 1 497.710 1.263 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC[NH+]1CCC(C)CC1 ZINC001494066630 1070383824 /nfs/dbraw/zinc/38/38/24/1070383824.db2.gz KSCGVGUOMGJQSM-NRFANRHFSA-N 2 1 461.655 1.697 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@H]1CCC[NH+]1CCCO ZINC001494142241 1070438759 /nfs/dbraw/zinc/43/87/59/1070438759.db2.gz UJNVPXQCLUIVHQ-PZJWPPBQSA-N 2 1 461.655 1.574 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@H]1CCC[NH+]1CCCO ZINC001494142241 1070438781 /nfs/dbraw/zinc/43/87/81/1070438781.db2.gz UJNVPXQCLUIVHQ-PZJWPPBQSA-N 2 1 461.655 1.574 20 0 JDADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001494142241 1070438721 /nfs/dbraw/zinc/43/87/21/1070438721.db2.gz UJNVPXQCLUIVHQ-PZJWPPBQSA-N 2 1 461.655 1.574 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001494189966 1070461878 /nfs/dbraw/zinc/46/18/78/1070461878.db2.gz GDOGLMMKOWQHPE-NPPFBWRTSA-N 2 1 499.751 1.636 20 0 JDADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001494189965 1070462159 /nfs/dbraw/zinc/46/21/59/1070462159.db2.gz GDOGLMMKOWQHPE-NJNPRVFISA-N 2 1 499.751 1.636 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494519258 1070611341 /nfs/dbraw/zinc/61/13/41/1070611341.db2.gz OATFKJAPASXLKJ-HKBOAZHASA-N 2 1 497.710 1.454 20 0 JDADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494519684 1070611559 /nfs/dbraw/zinc/61/15/59/1070611559.db2.gz PRQHEYNOOOSJIR-ZRNYENFQSA-N 2 1 483.683 1.062 20 0 JDADMP CCO[C@]1(c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[NH+]2CC=CCC2)CCOC1 ZINC001502655360 1070728636 /nfs/dbraw/zinc/72/86/36/1070728636.db2.gz SIPVBUSZGGCIFL-XMMPIXPASA-N 2 1 462.639 1.739 20 0 JDADMP CCO[C@]1(c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[NH+]2CC=CCC2)CCOC1 ZINC001502655360 1070728654 /nfs/dbraw/zinc/72/86/54/1070728654.db2.gz SIPVBUSZGGCIFL-XMMPIXPASA-N 2 1 462.639 1.739 20 0 JDADMP CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2CC[N@H+]2CC=CCC2)CCOC1 ZINC001502655360 1070728667 /nfs/dbraw/zinc/72/86/67/1070728667.db2.gz SIPVBUSZGGCIFL-XMMPIXPASA-N 2 1 462.639 1.739 20 0 JDADMP CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001502655360 1070728675 /nfs/dbraw/zinc/72/86/75/1070728675.db2.gz SIPVBUSZGGCIFL-XMMPIXPASA-N 2 1 462.639 1.739 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CCOC1 ZINC001502664045 1070743073 /nfs/dbraw/zinc/74/30/73/1070743073.db2.gz GNEGYLGXGUGSPL-XOEOCAAJSA-N 2 1 477.698 1.875 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2C[C@H](C)N2CC[NH+](CC)CC2)CCOC1 ZINC001502664044 1070743559 /nfs/dbraw/zinc/74/35/59/1070743559.db2.gz GNEGYLGXGUGSPL-VRIJDZSUSA-N 2 1 477.698 1.875 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@@H](CC)[C@@H]([NH+]4CCOCC4)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001502667692 1070747974 /nfs/dbraw/zinc/74/79/74/1070747974.db2.gz XVPBAGLCILCQJS-ZFGGDYGUSA-N 2 1 464.655 1.817 20 0 JDADMP CCO[C@]1(c2nnc(N3C[C@@H](CC)[C@@H]([NH+]4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001502667692 1070747991 /nfs/dbraw/zinc/74/79/91/1070747991.db2.gz XVPBAGLCILCQJS-ZFGGDYGUSA-N 2 1 464.655 1.817 20 0 JDADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675639 1070813381 /nfs/dbraw/zinc/81/33/81/1070813381.db2.gz CDHMSCDWYJSLQO-SFTDATJTSA-N 2 1 475.682 1.770 20 0 JDADMP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001495699799 1070816551 /nfs/dbraw/zinc/81/65/51/1070816551.db2.gz WVXQFFFSXUPVSI-NRFANRHFSA-N 2 1 474.698 1.562 20 0 JDADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001496117876 1070831351 /nfs/dbraw/zinc/83/13/51/1070831351.db2.gz VQFNSYRBDCGXBH-FHWLQOOXSA-N 2 1 455.673 1.683 20 0 JDADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001496117881 1070831381 /nfs/dbraw/zinc/83/13/81/1070831381.db2.gz VQFNSYRBDCGXBH-IPMKNSEASA-N 2 1 455.673 1.683 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001502724840 1070834146 /nfs/dbraw/zinc/83/41/46/1070834146.db2.gz FDQVXYWRLYZCPJ-YZUZCNPQSA-N 2 1 464.655 1.819 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001502724840 1070834148 /nfs/dbraw/zinc/83/41/48/1070834148.db2.gz FDQVXYWRLYZCPJ-YZUZCNPQSA-N 2 1 464.655 1.819 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001502725473 1070835276 /nfs/dbraw/zinc/83/52/76/1070835276.db2.gz JUWLOACFADTJIY-GBXCKJPGSA-N 2 1 496.722 1.915 20 0 JDADMP CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001502725476 1070835441 /nfs/dbraw/zinc/83/54/41/1070835441.db2.gz JUWLOACFADTJIY-HYBUGGRVSA-N 2 1 496.722 1.915 20 0 JDADMP CCOCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503093431 1071036835 /nfs/dbraw/zinc/03/68/35/1071036835.db2.gz HDYWYXAZTRSVSY-JOCHJYFZSA-N 2 1 491.681 1.306 20 0 JDADMP CCOCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001503093431 1071036846 /nfs/dbraw/zinc/03/68/46/1071036846.db2.gz HDYWYXAZTRSVSY-JOCHJYFZSA-N 2 1 491.681 1.306 20 0 JDADMP CCOCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503093431 1071036856 /nfs/dbraw/zinc/03/68/56/1071036856.db2.gz HDYWYXAZTRSVSY-JOCHJYFZSA-N 2 1 491.681 1.306 20 0 JDADMP CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H]1C[NH+](CC(C)C)CCO1 ZINC001503093431 1071036866 /nfs/dbraw/zinc/03/68/66/1071036866.db2.gz HDYWYXAZTRSVSY-JOCHJYFZSA-N 2 1 491.681 1.306 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001503099211 1071045486 /nfs/dbraw/zinc/04/54/86/1071045486.db2.gz QIDXUFQGWASAPN-LEWJYISDSA-N 2 1 461.655 1.679 20 0 JDADMP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001503099910 1071048265 /nfs/dbraw/zinc/04/82/65/1071048265.db2.gz ZOGAFYACOPUGAV-HXUWFJFHSA-N 2 1 461.655 1.822 20 0 JDADMP CCOCc1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001503109639 1071064071 /nfs/dbraw/zinc/06/40/71/1071064071.db2.gz NNHGHVZUFYVLNY-UNMCSNQZSA-N 2 1 491.681 1.447 20 0 JDADMP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001503109639 1071064086 /nfs/dbraw/zinc/06/40/86/1071064086.db2.gz NNHGHVZUFYVLNY-UNMCSNQZSA-N 2 1 491.681 1.447 20 0 JDADMP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001503109639 1071064106 /nfs/dbraw/zinc/06/41/06/1071064106.db2.gz NNHGHVZUFYVLNY-UNMCSNQZSA-N 2 1 491.681 1.447 20 0 JDADMP CCOCc1nnc(N2CC[NH+](CCOC)CC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001503115986 1071078461 /nfs/dbraw/zinc/07/84/61/1071078461.db2.gz XRAXIDVVYKOJAE-UHFFFAOYSA-N 2 1 452.669 1.945 20 0 JDADMP CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CC=CCC2)C[C@H]1CC ZINC001503216024 1071164915 /nfs/dbraw/zinc/16/49/15/1071164915.db2.gz KXJHHLSICBGFLA-OAQYLSRUSA-N 2 1 459.639 1.713 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CC=CCC2)C[C@H]1CC ZINC001503216024 1071164940 /nfs/dbraw/zinc/16/49/40/1071164940.db2.gz KXJHHLSICBGFLA-OAQYLSRUSA-N 2 1 459.639 1.713 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CC=CCC2)C[C@H]1CC ZINC001503216024 1071164951 /nfs/dbraw/zinc/16/49/51/1071164951.db2.gz KXJHHLSICBGFLA-OAQYLSRUSA-N 2 1 459.639 1.713 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001503222082 1071180497 /nfs/dbraw/zinc/18/04/97/1071180497.db2.gz WOVVXPSFSJJTRC-SFTDATJTSA-N 2 1 461.655 1.756 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001503222082 1071180513 /nfs/dbraw/zinc/18/05/13/1071180513.db2.gz WOVVXPSFSJJTRC-SFTDATJTSA-N 2 1 461.655 1.756 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001503221274 1071176824 /nfs/dbraw/zinc/17/68/24/1071176824.db2.gz RCMJCFFFLXQSNO-WOJBJXKFSA-N 2 1 458.611 1.393 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503221270 1071176909 /nfs/dbraw/zinc/17/69/09/1071176909.db2.gz RCMJCFFFLXQSNO-BGYRXZFFSA-N 2 1 458.611 1.393 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503221270 1071176921 /nfs/dbraw/zinc/17/69/21/1071176921.db2.gz RCMJCFFFLXQSNO-BGYRXZFFSA-N 2 1 458.611 1.393 20 0 JDADMP COc1ccccc1C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)CC1 ZINC001504424934 1071183000 /nfs/dbraw/zinc/18/30/00/1071183000.db2.gz XLRRDOSMJFRLSC-IBGZPJMESA-N 2 1 491.662 1.315 20 0 JDADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001503223040 1071185014 /nfs/dbraw/zinc/18/50/14/1071185014.db2.gz LCOOMPDRZFKXTF-NRFANRHFSA-N 2 1 464.655 1.566 20 0 JDADMP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC001504489489 1071263727 /nfs/dbraw/zinc/26/37/27/1071263727.db2.gz ICWBTYMNBMQBNV-RBUKOAKNSA-N 2 1 497.710 1.452 20 0 JDADMP C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001503383137 1071639232 /nfs/dbraw/zinc/63/92/32/1071639232.db2.gz QMSGGPDHIWEWHB-WOJBJXKFSA-N 2 1 497.710 1.262 20 0 JDADMP C[NH+](C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001503401596 1071664597 /nfs/dbraw/zinc/66/45/97/1071664597.db2.gz BXOHOUZMAIYUCW-UHFFFAOYSA-N 2 1 458.611 1.814 20 0 JDADMP C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001503404692 1071672235 /nfs/dbraw/zinc/67/22/35/1071672235.db2.gz OCPMWKMGKHTZTD-IBGZPJMESA-N 2 1 470.684 1.317 20 0 JDADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504820511 1071706339 /nfs/dbraw/zinc/70/63/39/1071706339.db2.gz OAKCWZHINUGERR-NRFANRHFSA-N 2 1 450.628 1.789 20 0 JDADMP COCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001504821583 1071708431 /nfs/dbraw/zinc/70/84/31/1071708431.db2.gz VVRNBGLQIJOINV-HBMCJLEFSA-N 2 1 450.628 1.297 20 0 JDADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001504821583 1071708435 /nfs/dbraw/zinc/70/84/35/1071708435.db2.gz VVRNBGLQIJOINV-HBMCJLEFSA-N 2 1 450.628 1.297 20 0 JDADMP COCC[N@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001504851455 1071751259 /nfs/dbraw/zinc/75/12/59/1071751259.db2.gz OMSBTGREIRRIKE-DENIHFKCSA-N 2 1 457.623 1.774 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001504851455 1071751279 /nfs/dbraw/zinc/75/12/79/1071751279.db2.gz OMSBTGREIRRIKE-DENIHFKCSA-N 2 1 457.623 1.774 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001504852173 1071753461 /nfs/dbraw/zinc/75/34/61/1071753461.db2.gz SLMUFVOFZAFNON-QFIPXVFZSA-N 2 1 469.634 1.656 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001504852173 1071753472 /nfs/dbraw/zinc/75/34/72/1071753472.db2.gz SLMUFVOFZAFNON-QFIPXVFZSA-N 2 1 469.634 1.656 20 0 JDADMP COCC[NH+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001504852173 1071753489 /nfs/dbraw/zinc/75/34/89/1071753489.db2.gz SLMUFVOFZAFNON-QFIPXVFZSA-N 2 1 469.634 1.656 20 0 JDADMP COCC[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001504852442 1071754804 /nfs/dbraw/zinc/75/48/04/1071754804.db2.gz RKSUZDUXHBCRLJ-TZIWHRDSSA-N 2 1 450.628 1.787 20 0 JDADMP COCC[NH+](C)CCCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001504852442 1071754809 /nfs/dbraw/zinc/75/48/09/1071754809.db2.gz RKSUZDUXHBCRLJ-TZIWHRDSSA-N 2 1 450.628 1.787 20 0 JDADMP COCC[NH+](C)CCCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001504852442 1071754813 /nfs/dbraw/zinc/75/48/13/1071754813.db2.gz RKSUZDUXHBCRLJ-TZIWHRDSSA-N 2 1 450.628 1.787 20 0 JDADMP COCC[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504852276 1071754859 /nfs/dbraw/zinc/75/48/59/1071754859.db2.gz TZGOXKBTNZHYFM-REWPJTCUSA-N 2 1 486.665 1.241 20 0 JDADMP COCC[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504852276 1071754880 /nfs/dbraw/zinc/75/48/80/1071754880.db2.gz TZGOXKBTNZHYFM-REWPJTCUSA-N 2 1 486.665 1.241 20 0 JDADMP COCC[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001504853051 1071756749 /nfs/dbraw/zinc/75/67/49/1071756749.db2.gz ZBOQNTGPWDSCBV-LEWJYISDSA-N 2 1 464.655 1.830 20 0 JDADMP COCC[NH+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001504853051 1071756756 /nfs/dbraw/zinc/75/67/56/1071756756.db2.gz ZBOQNTGPWDSCBV-LEWJYISDSA-N 2 1 464.655 1.830 20 0 JDADMP COCC[NH+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001504853051 1071756767 /nfs/dbraw/zinc/75/67/67/1071756767.db2.gz ZBOQNTGPWDSCBV-LEWJYISDSA-N 2 1 464.655 1.830 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504854317 1071762719 /nfs/dbraw/zinc/76/27/19/1071762719.db2.gz GRPILCMENQHURG-REWPJTCUSA-N 2 1 469.634 1.512 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504854317 1071762737 /nfs/dbraw/zinc/76/27/37/1071762737.db2.gz GRPILCMENQHURG-REWPJTCUSA-N 2 1 469.634 1.512 20 0 JDADMP COCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001504854893 1071765238 /nfs/dbraw/zinc/76/52/38/1071765238.db2.gz NQKDZMNSGQNALM-LJQANCHMSA-N 2 1 456.595 1.568 20 0 JDADMP COCC[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001504856037 1071768202 /nfs/dbraw/zinc/76/82/02/1071768202.db2.gz XLWMWGHLNFHOJE-KRWDZBQOSA-N 2 1 497.413 1.946 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001504856037 1071768218 /nfs/dbraw/zinc/76/82/18/1071768218.db2.gz XLWMWGHLNFHOJE-KRWDZBQOSA-N 2 1 497.413 1.946 20 0 JDADMP COCC[NH+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001504856037 1071768243 /nfs/dbraw/zinc/76/82/43/1071768243.db2.gz XLWMWGHLNFHOJE-KRWDZBQOSA-N 2 1 497.413 1.946 20 0 JDADMP COCC[NH+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001504856037 1071768271 /nfs/dbraw/zinc/76/82/71/1071768271.db2.gz XLWMWGHLNFHOJE-KRWDZBQOSA-N 2 1 497.413 1.946 20 0 JDADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001503449071 1071770077 /nfs/dbraw/zinc/77/00/77/1071770077.db2.gz NJROARDWUWIHLC-LJQANCHMSA-N 2 1 482.695 1.459 20 0 JDADMP COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504857032 1071773956 /nfs/dbraw/zinc/77/39/56/1071773956.db2.gz IIAFARQXPMFCMU-HYBUGGRVSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504857032 1071773968 /nfs/dbraw/zinc/77/39/68/1071773968.db2.gz IIAFARQXPMFCMU-HYBUGGRVSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504857032 1071773979 /nfs/dbraw/zinc/77/39/79/1071773979.db2.gz IIAFARQXPMFCMU-HYBUGGRVSA-N 2 1 498.676 1.606 20 0 JDADMP COCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001504857547 1071777185 /nfs/dbraw/zinc/77/71/85/1071777185.db2.gz MRVNTVWWKNUKLR-QFIPXVFZSA-N 2 1 477.698 1.745 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001504903862 1071842031 /nfs/dbraw/zinc/84/20/31/1071842031.db2.gz MPNVVBIKAHMERD-UHFFFAOYSA-N 2 1 456.595 1.426 20 0 JDADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001504904431 1071843807 /nfs/dbraw/zinc/84/38/07/1071843807.db2.gz OFJZMTRLVXBKJV-IBGZPJMESA-N 2 1 456.595 1.426 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001504904727 1071844756 /nfs/dbraw/zinc/84/47/56/1071844756.db2.gz QAQDSVLTADWQGZ-ZWKOTPCHSA-N 2 1 478.041 1.969 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001504906495 1071850504 /nfs/dbraw/zinc/85/05/04/1071850504.db2.gz YWEHQNSTKCFRJQ-UWJYYQICSA-N 2 1 453.657 1.011 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001504909530 1071861587 /nfs/dbraw/zinc/86/15/87/1071861587.db2.gz ZUYYZFSSHRCQGP-RBUKOAKNSA-N 2 1 485.699 1.167 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001504909530 1071861591 /nfs/dbraw/zinc/86/15/91/1071861591.db2.gz ZUYYZFSSHRCQGP-RBUKOAKNSA-N 2 1 485.699 1.167 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001504909530 1071861592 /nfs/dbraw/zinc/86/15/92/1071861592.db2.gz ZUYYZFSSHRCQGP-RBUKOAKNSA-N 2 1 485.699 1.167 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001504917192 1071882643 /nfs/dbraw/zinc/88/26/43/1071882643.db2.gz OSTAONKUUSUHFL-GGAORHGYSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001504917192 1071882650 /nfs/dbraw/zinc/88/26/50/1071882650.db2.gz OSTAONKUUSUHFL-GGAORHGYSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001504917192 1071882654 /nfs/dbraw/zinc/88/26/54/1071882654.db2.gz OSTAONKUUSUHFL-GGAORHGYSA-N 2 1 498.676 1.748 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504915878 1071878604 /nfs/dbraw/zinc/87/86/04/1071878604.db2.gz OWHCICMGIWXRGY-NJYVYQBISA-N 2 1 457.623 1.996 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504915878 1071878607 /nfs/dbraw/zinc/87/86/07/1071878607.db2.gz OWHCICMGIWXRGY-NJYVYQBISA-N 2 1 457.623 1.996 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504915878 1071878610 /nfs/dbraw/zinc/87/86/10/1071878610.db2.gz OWHCICMGIWXRGY-NJYVYQBISA-N 2 1 457.623 1.996 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001504916256 1071879835 /nfs/dbraw/zinc/87/98/35/1071879835.db2.gz CIJZFXWYQSKYMV-FQEVSTJZSA-N 2 1 459.570 1.269 20 0 JDADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001504916256 1071879837 /nfs/dbraw/zinc/87/98/37/1071879837.db2.gz CIJZFXWYQSKYMV-FQEVSTJZSA-N 2 1 459.570 1.269 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001504916594 1071880540 /nfs/dbraw/zinc/88/05/40/1071880540.db2.gz HPKCFFWXZMHSST-MSOLQXFVSA-N 2 1 468.606 1.299 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001504916593 1071880585 /nfs/dbraw/zinc/88/05/85/1071880585.db2.gz HOZNPBJCSQJQSB-WOJBJXKFSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001504916593 1071880590 /nfs/dbraw/zinc/88/05/90/1071880590.db2.gz HOZNPBJCSQJQSB-WOJBJXKFSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001504916593 1071880591 /nfs/dbraw/zinc/88/05/91/1071880591.db2.gz HOZNPBJCSQJQSB-WOJBJXKFSA-N 2 1 458.611 1.249 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001504921351 1071895512 /nfs/dbraw/zinc/89/55/12/1071895512.db2.gz WMAYPMCFFCMMIW-VQTJNVASSA-N 2 1 450.628 1.174 20 0 JDADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001504921352 1071895583 /nfs/dbraw/zinc/89/55/83/1071895583.db2.gz WMAYPMCFFCMMIW-WOJBJXKFSA-N 2 1 450.628 1.174 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001504922357 1071898032 /nfs/dbraw/zinc/89/80/32/1071898032.db2.gz ILNWHYQWISFZDO-NHCUHLMSSA-N 2 1 457.623 1.532 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001504922399 1071898096 /nfs/dbraw/zinc/89/80/96/1071898096.db2.gz JAGZVJOAXJGYBI-FQEVSTJZSA-N 2 1 457.623 1.532 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001504922519 1071898471 /nfs/dbraw/zinc/89/84/71/1071898471.db2.gz KGSYBQUVRNMOKT-NRFANRHFSA-N 2 1 457.623 1.533 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001504922519 1071898472 /nfs/dbraw/zinc/89/84/72/1071898472.db2.gz KGSYBQUVRNMOKT-NRFANRHFSA-N 2 1 457.623 1.533 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001504923807 1071903979 /nfs/dbraw/zinc/90/39/79/1071903979.db2.gz JYZAXGDGFBVRQY-RDPSFJRHSA-N 2 1 458.607 1.123 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001504923807 1071903991 /nfs/dbraw/zinc/90/39/91/1071903991.db2.gz JYZAXGDGFBVRQY-RDPSFJRHSA-N 2 1 458.607 1.123 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001504923807 1071903998 /nfs/dbraw/zinc/90/39/98/1071903998.db2.gz JYZAXGDGFBVRQY-RDPSFJRHSA-N 2 1 458.607 1.123 20 0 JDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCC1 ZINC001503618677 1071905711 /nfs/dbraw/zinc/90/57/11/1071905711.db2.gz NBWTZGZVWMDAQA-UHFFFAOYSA-N 2 1 470.622 1.957 20 0 JDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCC1 ZINC001503618677 1071905722 /nfs/dbraw/zinc/90/57/22/1071905722.db2.gz NBWTZGZVWMDAQA-UHFFFAOYSA-N 2 1 470.622 1.957 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001504923204 1071901044 /nfs/dbraw/zinc/90/10/44/1071901044.db2.gz FGLCUGOGJHGHJU-HXUWFJFHSA-N 2 1 461.655 1.822 20 0 JDADMP COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001504923414 1071901973 /nfs/dbraw/zinc/90/19/73/1071901973.db2.gz GQURFWPVCCTNMT-JOCHJYFZSA-N 2 1 462.668 1.345 20 0 JDADMP COCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001504924443 1071907765 /nfs/dbraw/zinc/90/77/65/1071907765.db2.gz WNDCHEHAIQXFBL-FGZHOGPDSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001504924443 1071907771 /nfs/dbraw/zinc/90/77/71/1071907771.db2.gz WNDCHEHAIQXFBL-FGZHOGPDSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001504924443 1071907777 /nfs/dbraw/zinc/90/77/77/1071907777.db2.gz WNDCHEHAIQXFBL-FGZHOGPDSA-N 2 1 475.682 1.925 20 0 JDADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001504924628 1071910104 /nfs/dbraw/zinc/91/01/04/1071910104.db2.gz CGWHLBITHLWJNW-UHFFFAOYSA-N 2 1 475.663 1.770 20 0 JDADMP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001504949649 1071993529 /nfs/dbraw/zinc/99/35/29/1071993529.db2.gz IPBXKVLBDUTQIZ-AQNXPRMDSA-N 2 1 450.628 1.522 20 0 JDADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503676776 1072009026 /nfs/dbraw/zinc/00/90/26/1072009026.db2.gz AISZWPDSPPJIFH-DEOSSOPVSA-N 2 1 460.598 1.945 20 0 JDADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503676776 1072009037 /nfs/dbraw/zinc/00/90/37/1072009037.db2.gz AISZWPDSPPJIFH-DEOSSOPVSA-N 2 1 460.598 1.945 20 0 JDADMP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001504990130 1072048575 /nfs/dbraw/zinc/04/85/75/1072048575.db2.gz UZXPVMKRIFBLRW-HXUWFJFHSA-N 2 1 465.687 1.949 20 0 JDADMP COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCSCC1 ZINC001504995684 1072065819 /nfs/dbraw/zinc/06/58/19/1072065819.db2.gz SFORLQKTXRUTHZ-UXHICEINSA-N 2 1 482.695 1.740 20 0 JDADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001505069681 1072175709 /nfs/dbraw/zinc/17/57/09/1072175709.db2.gz GKHBGJYLLJFJFI-SKPFHBQLSA-N 2 1 464.655 1.891 20 0 JDADMP CON(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001505098052 1072233914 /nfs/dbraw/zinc/23/39/14/1072233914.db2.gz KKIZCHFEAXPNHM-QHCPKHFHSA-N 2 1 471.650 1.997 20 0 JDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC001465804875 1067832591 /nfs/dbraw/zinc/83/25/91/1067832591.db2.gz XQIAINVACACVAQ-HXUWFJFHSA-N 2 1 458.607 1.102 20 0 JDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC001465804875 1067832592 /nfs/dbraw/zinc/83/25/92/1067832592.db2.gz XQIAINVACACVAQ-HXUWFJFHSA-N 2 1 458.607 1.102 20 0 JDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC001465804874 1067832654 /nfs/dbraw/zinc/83/26/54/1067832654.db2.gz XQIAINVACACVAQ-FQEVSTJZSA-N 2 1 458.607 1.102 20 0 JDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC001465804874 1067832655 /nfs/dbraw/zinc/83/26/55/1067832655.db2.gz XQIAINVACACVAQ-FQEVSTJZSA-N 2 1 458.607 1.102 20 0 JDADMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CO)cn2)CC1 ZINC001467905692 1068091334 /nfs/dbraw/zinc/09/13/34/1068091334.db2.gz ASNAXBJRPGDADX-XZOQPEGZSA-N 2 1 452.603 1.516 20 0 JDADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC001468099071 1068165235 /nfs/dbraw/zinc/16/52/35/1068165235.db2.gz RLDKRXHMJCFPSX-UHFFFAOYSA-N 2 1 459.591 1.354 20 0 JDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001468949928 1068402566 /nfs/dbraw/zinc/40/25/66/1068402566.db2.gz FNPQQRXICZOSMO-ZLNRFVROSA-N 2 1 457.667 1.792 20 0 JDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001468949928 1068402606 /nfs/dbraw/zinc/40/26/06/1068402606.db2.gz FNPQQRXICZOSMO-ZLNRFVROSA-N 2 1 457.667 1.792 20 0 JDADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCc3ccccc3C[NH+]3CCC(O)CC3)CC2)CC1 ZINC001469230673 1068470387 /nfs/dbraw/zinc/47/03/87/1068470387.db2.gz MLOPSEYHBMPHIQ-UHFFFAOYSA-N 2 1 457.619 1.339 20 0 JDADMP CC[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001469249527 1068475910 /nfs/dbraw/zinc/47/59/10/1068475910.db2.gz QFWVXJNDGKOWMD-PKTZIBPZSA-N 2 1 457.619 1.616 20 0 JDADMP CC[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001469249527 1068475923 /nfs/dbraw/zinc/47/59/23/1068475923.db2.gz QFWVXJNDGKOWMD-PKTZIBPZSA-N 2 1 457.619 1.616 20 0 JDADMP C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001470120801 1068703658 /nfs/dbraw/zinc/70/36/58/1068703658.db2.gz IEARFYWBSWLLJN-JOCHJYFZSA-N 2 1 459.635 1.755 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC001470771502 1068808514 /nfs/dbraw/zinc/80/85/14/1068808514.db2.gz IKEKIOJTZJAAMU-MAUKXSAKSA-N 2 1 454.413 1.904 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC001470771502 1068808516 /nfs/dbraw/zinc/80/85/16/1068808516.db2.gz IKEKIOJTZJAAMU-MAUKXSAKSA-N 2 1 454.413 1.904 20 0 JDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC001470771504 1068808655 /nfs/dbraw/zinc/80/86/55/1068808655.db2.gz IKEKIOJTZJAAMU-YJBOKZPZSA-N 2 1 454.413 1.904 20 0 JDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC001470771504 1068808661 /nfs/dbraw/zinc/80/86/61/1068808661.db2.gz IKEKIOJTZJAAMU-YJBOKZPZSA-N 2 1 454.413 1.904 20 0 JDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936755 1068825010 /nfs/dbraw/zinc/82/50/10/1068825010.db2.gz ULSGMUGYQFZFCQ-RSXGOPAZSA-N 2 1 451.615 1.739 20 0 JDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936755 1068825016 /nfs/dbraw/zinc/82/50/16/1068825016.db2.gz ULSGMUGYQFZFCQ-RSXGOPAZSA-N 2 1 451.615 1.739 20 0 JDADMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001470936755 1068825018 /nfs/dbraw/zinc/82/50/18/1068825018.db2.gz ULSGMUGYQFZFCQ-RSXGOPAZSA-N 2 1 451.615 1.739 20 0 JDADMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001470936755 1068825021 /nfs/dbraw/zinc/82/50/21/1068825021.db2.gz ULSGMUGYQFZFCQ-RSXGOPAZSA-N 2 1 451.615 1.739 20 0 JDADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001471183350 1068841403 /nfs/dbraw/zinc/84/14/03/1068841403.db2.gz XYHUSCWTDOUGNS-HSZRJFAPSA-N 2 1 451.656 1.317 20 0 JDADMP CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCC(C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC001499660947 1069033641 /nfs/dbraw/zinc/03/36/41/1069033641.db2.gz RJVWSNFERAZLRQ-HBMCJLEFSA-N 2 1 497.710 1.167 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC001499712176 1069046615 /nfs/dbraw/zinc/04/66/15/1069046615.db2.gz SLSSIIJDTDGRBN-FYYLOGMGSA-N 2 1 470.666 1.913 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC001499712181 1069046701 /nfs/dbraw/zinc/04/67/01/1069046701.db2.gz SLSSIIJDTDGRBN-JTHBVZDNSA-N 2 1 470.666 1.913 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CC2([NH+](C)C)CCOCC2)CC[N@H+]1CCOC ZINC001499711497 1069046824 /nfs/dbraw/zinc/04/68/24/1069046824.db2.gz NNFBOLJODMQZRA-OAQYLSRUSA-N 2 1 457.623 1.998 20 0 JDADMP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499716343 1069047690 /nfs/dbraw/zinc/04/76/90/1069047690.db2.gz QSTWQHGDTDIZMM-PZJWPPBQSA-N 2 1 460.627 1.194 20 0 JDADMP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499716337 1069047768 /nfs/dbraw/zinc/04/77/68/1069047768.db2.gz QSTWQHGDTDIZMM-CTNGQTDRSA-N 2 1 460.627 1.194 20 0 JDADMP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCOCC2)CC[N@H+]1CCOC ZINC001499761507 1069077157 /nfs/dbraw/zinc/07/71/57/1069077157.db2.gz DQVPWGIJKMAMJG-JOCHJYFZSA-N 2 1 471.650 1.922 20 0 JDADMP C[N@H+](CCN1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1)Cc1ccccc1 ZINC001473151280 1069082608 /nfs/dbraw/zinc/08/26/08/1069082608.db2.gz AQLOGRGSIILXTE-QHCPKHFHSA-N 2 1 451.571 1.614 20 0 JDADMP C[N@@H+](CCN1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1)Cc1ccccc1 ZINC001473151280 1069082611 /nfs/dbraw/zinc/08/26/11/1069082611.db2.gz AQLOGRGSIILXTE-QHCPKHFHSA-N 2 1 451.571 1.614 20 0 JDADMP CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001499786838 1069086645 /nfs/dbraw/zinc/08/66/45/1069086645.db2.gz XLVKZOFBYMTQBI-YADARESESA-N 2 1 476.597 1.610 20 0 JDADMP CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001499786838 1069086650 /nfs/dbraw/zinc/08/66/50/1069086650.db2.gz XLVKZOFBYMTQBI-YADARESESA-N 2 1 476.597 1.610 20 0 JDADMP CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001499786838 1069086658 /nfs/dbraw/zinc/08/66/58/1069086658.db2.gz XLVKZOFBYMTQBI-YADARESESA-N 2 1 476.597 1.610 20 0 JDADMP CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001499786835 1069086677 /nfs/dbraw/zinc/08/66/77/1069086677.db2.gz XLVKZOFBYMTQBI-CYFREDJKSA-N 2 1 476.597 1.610 20 0 JDADMP CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001499786835 1069086681 /nfs/dbraw/zinc/08/66/81/1069086681.db2.gz XLVKZOFBYMTQBI-CYFREDJKSA-N 2 1 476.597 1.610 20 0 JDADMP CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001499786835 1069086684 /nfs/dbraw/zinc/08/66/84/1069086684.db2.gz XLVKZOFBYMTQBI-CYFREDJKSA-N 2 1 476.597 1.610 20 0 JDADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001473207507 1069094880 /nfs/dbraw/zinc/09/48/80/1069094880.db2.gz UGMIHAFRXPKIAJ-OAQYLSRUSA-N 2 1 457.667 1.642 20 0 JDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CC1 ZINC001473400659 1069139451 /nfs/dbraw/zinc/13/94/51/1069139451.db2.gz SGKSZCFUPYWMAR-OAQYLSRUSA-N 2 1 451.656 1.946 20 0 JDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001473463848 1069157939 /nfs/dbraw/zinc/15/79/39/1069157939.db2.gz XBXQQFHVCCAWMP-HXUWFJFHSA-N 2 1 450.649 1.679 20 0 JDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001473463848 1069157946 /nfs/dbraw/zinc/15/79/46/1069157946.db2.gz XBXQQFHVCCAWMP-HXUWFJFHSA-N 2 1 450.649 1.679 20 0 JDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001473463844 1069158232 /nfs/dbraw/zinc/15/82/32/1069158232.db2.gz XBXQQFHVCCAWMP-FQEVSTJZSA-N 2 1 450.649 1.679 20 0 JDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001473463844 1069158255 /nfs/dbraw/zinc/15/82/55/1069158255.db2.gz XBXQQFHVCCAWMP-FQEVSTJZSA-N 2 1 450.649 1.679 20 0 JDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC(C(N)=O)([NH+]4CCCCC4)CC3)CC2)cc1 ZINC001473755172 1069219658 /nfs/dbraw/zinc/21/96/58/1069219658.db2.gz MKCCSDSNXRFIGF-UHFFFAOYSA-N 2 1 455.647 1.835 20 0 JDADMP CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)CC[N@H+]1CCOC ZINC001500260480 1069223874 /nfs/dbraw/zinc/22/38/74/1069223874.db2.gz YLASPIADNMFDFJ-OAQYLSRUSA-N 2 1 474.654 1.727 20 0 JDADMP CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001500415813 1069248249 /nfs/dbraw/zinc/24/82/49/1069248249.db2.gz SAXJRHRLWMQXBH-OAQYLSRUSA-N 2 1 461.655 1.996 20 0 JDADMP CCCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001500419935 1069251246 /nfs/dbraw/zinc/25/12/46/1069251246.db2.gz MZAGWXTZUROQJT-JOCHJYFZSA-N 2 1 468.650 1.739 20 0 JDADMP CCCC[NH+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001500419935 1069251262 /nfs/dbraw/zinc/25/12/62/1069251262.db2.gz MZAGWXTZUROQJT-JOCHJYFZSA-N 2 1 468.650 1.739 20 0 JDADMP CCCC[NH+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001500419935 1069251280 /nfs/dbraw/zinc/25/12/80/1069251280.db2.gz MZAGWXTZUROQJT-JOCHJYFZSA-N 2 1 468.650 1.739 20 0 JDADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001500703213 1069299297 /nfs/dbraw/zinc/29/92/97/1069299297.db2.gz OEEJRSJFVDNKND-FGZHOGPDSA-N 2 1 474.698 1.708 20 0 JDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCO[C@H](C)C2)C1 ZINC001500716778 1069300691 /nfs/dbraw/zinc/30/06/91/1069300691.db2.gz MXRJPMUQFKLDQF-HKBOAZHASA-N 2 1 461.655 1.898 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001500716778 1069300708 /nfs/dbraw/zinc/30/07/08/1069300708.db2.gz MXRJPMUQFKLDQF-HKBOAZHASA-N 2 1 461.655 1.898 20 0 JDADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001500716778 1069300726 /nfs/dbraw/zinc/30/07/26/1069300726.db2.gz MXRJPMUQFKLDQF-HKBOAZHASA-N 2 1 461.655 1.898 20 0 JDADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC001500725612 1069305479 /nfs/dbraw/zinc/30/54/79/1069305479.db2.gz QCQHJASMAIJOKL-OAQYLSRUSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001500725612 1069305493 /nfs/dbraw/zinc/30/54/93/1069305493.db2.gz QCQHJASMAIJOKL-OAQYLSRUSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001500725612 1069305507 /nfs/dbraw/zinc/30/55/07/1069305507.db2.gz QCQHJASMAIJOKL-OAQYLSRUSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C)C(C)(C)C2)C1 ZINC001500725612 1069305524 /nfs/dbraw/zinc/30/55/24/1069305524.db2.gz QCQHJASMAIJOKL-OAQYLSRUSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C)C(C)(C)C2)C1 ZINC001500725612 1069305540 /nfs/dbraw/zinc/30/55/40/1069305540.db2.gz QCQHJASMAIJOKL-OAQYLSRUSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001500725612 1069305555 /nfs/dbraw/zinc/30/55/55/1069305555.db2.gz QCQHJASMAIJOKL-OAQYLSRUSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001500725612 1069305570 /nfs/dbraw/zinc/30/55/70/1069305570.db2.gz QCQHJASMAIJOKL-OAQYLSRUSA-N 2 1 474.698 1.595 20 0 JDADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001500728819 1069306364 /nfs/dbraw/zinc/30/63/64/1069306364.db2.gz ZHUULTMGPRSAJJ-HSZRJFAPSA-N 2 1 485.681 1.472 20 0 JDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C(=O)N2CCCC2)n1CCOCC[NH+](C)C ZINC001505277483 1072447272 /nfs/dbraw/zinc/44/72/72/1072447272.db2.gz CXSGFMQWFGGIMY-OAQYLSRUSA-N 2 1 469.634 1.803 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC001505289412 1072472896 /nfs/dbraw/zinc/47/28/96/1072472896.db2.gz IFDFLRTWEFLYIX-OYRHEFFESA-N 2 1 471.650 1.920 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC001505289412 1072472909 /nfs/dbraw/zinc/47/29/09/1072472909.db2.gz IFDFLRTWEFLYIX-OYRHEFFESA-N 2 1 471.650 1.920 20 0 JDADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H](C)O1 ZINC001505289362 1072473044 /nfs/dbraw/zinc/47/30/44/1072473044.db2.gz HCBSIUGJOCWDAR-WEMPKCCASA-N 2 1 452.669 1.765 20 0 JDADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H](C)O1 ZINC001505289362 1072473047 /nfs/dbraw/zinc/47/30/47/1072473047.db2.gz HCBSIUGJOCWDAR-WEMPKCCASA-N 2 1 452.669 1.765 20 0 JDADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229683 1072993117 /nfs/dbraw/zinc/99/31/17/1072993117.db2.gz CEOIEEMYCWXZGW-URXFXBBRSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229683 1072993129 /nfs/dbraw/zinc/99/31/29/1072993129.db2.gz CEOIEEMYCWXZGW-URXFXBBRSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229683 1072993142 /nfs/dbraw/zinc/99/31/42/1072993142.db2.gz CEOIEEMYCWXZGW-URXFXBBRSA-N 2 1 482.677 1.983 20 0 JDADMP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508235142 1073005757 /nfs/dbraw/zinc/00/57/57/1073005757.db2.gz XDJDOJVNSXABSL-RBBKRZOGSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508235142 1073005765 /nfs/dbraw/zinc/00/57/65/1073005765.db2.gz XDJDOJVNSXABSL-RBBKRZOGSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508235142 1073005773 /nfs/dbraw/zinc/00/57/73/1073005773.db2.gz XDJDOJVNSXABSL-RBBKRZOGSA-N 2 1 475.682 1.891 20 0 JDADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508235142 1073005782 /nfs/dbraw/zinc/00/57/82/1073005782.db2.gz XDJDOJVNSXABSL-RBBKRZOGSA-N 2 1 475.682 1.891 20 0 JDADMP CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001509116556 1073506134 /nfs/dbraw/zinc/50/61/34/1073506134.db2.gz CRONZMXKRZOGOE-NJDAHSKKSA-N 2 1 461.655 1.849 20 0 JDADMP CC(C)Cc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001509202130 1073525487 /nfs/dbraw/zinc/52/54/87/1073525487.db2.gz ROAHGSUHSCLANE-QHCPKHFHSA-N 2 1 499.708 1.865 20 0 JDADMP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001509202130 1073525499 /nfs/dbraw/zinc/52/54/99/1073525499.db2.gz ROAHGSUHSCLANE-QHCPKHFHSA-N 2 1 499.708 1.865 20 0 JDADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001509202130 1073525513 /nfs/dbraw/zinc/52/55/13/1073525513.db2.gz ROAHGSUHSCLANE-QHCPKHFHSA-N 2 1 499.708 1.865 20 0 JDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001509436630 1073617774 /nfs/dbraw/zinc/61/77/74/1073617774.db2.gz SKNHOQUEICOFRP-NHCUHLMSSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001509436630 1073617777 /nfs/dbraw/zinc/61/77/77/1073617777.db2.gz SKNHOQUEICOFRP-NHCUHLMSSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001509436630 1073617784 /nfs/dbraw/zinc/61/77/84/1073617784.db2.gz SKNHOQUEICOFRP-NHCUHLMSSA-N 2 1 461.655 1.501 20 0 JDADMP CC(C)[N@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001509510813 1073657420 /nfs/dbraw/zinc/65/74/20/1073657420.db2.gz IOFFWWFNFXFSPR-SFHVURJKSA-N 2 1 461.636 1.521 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001509510813 1073657432 /nfs/dbraw/zinc/65/74/32/1073657432.db2.gz IOFFWWFNFXFSPR-SFHVURJKSA-N 2 1 461.636 1.521 20 0 JDADMP CC(C)[NH+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001509510813 1073657441 /nfs/dbraw/zinc/65/74/41/1073657441.db2.gz IOFFWWFNFXFSPR-SFHVURJKSA-N 2 1 461.636 1.521 20 0 JDADMP CC(C)[NH+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001509510813 1073657446 /nfs/dbraw/zinc/65/74/46/1073657446.db2.gz IOFFWWFNFXFSPR-SFHVURJKSA-N 2 1 461.636 1.521 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509513996 1073658373 /nfs/dbraw/zinc/65/83/73/1073658373.db2.gz OBYOIZVUWUWRMJ-BHIFYINESA-N 2 1 474.698 1.954 20 0 JDADMP CC(C)[NH+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509513996 1073658387 /nfs/dbraw/zinc/65/83/87/1073658387.db2.gz OBYOIZVUWUWRMJ-BHIFYINESA-N 2 1 474.698 1.954 20 0 JDADMP CC(C)[NH+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509513996 1073658399 /nfs/dbraw/zinc/65/83/99/1073658399.db2.gz OBYOIZVUWUWRMJ-BHIFYINESA-N 2 1 474.698 1.954 20 0 JDADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001509518430 1073662496 /nfs/dbraw/zinc/66/24/96/1073662496.db2.gz MEPOVAGEMMIOIB-FQEVSTJZSA-N 2 1 485.699 1.262 20 0 JDADMP CC(C)[NH+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001509518430 1073662500 /nfs/dbraw/zinc/66/25/00/1073662500.db2.gz MEPOVAGEMMIOIB-FQEVSTJZSA-N 2 1 485.699 1.262 20 0 JDADMP CC(C)[NH+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001509518430 1073662504 /nfs/dbraw/zinc/66/25/04/1073662504.db2.gz MEPOVAGEMMIOIB-FQEVSTJZSA-N 2 1 485.699 1.262 20 0 JDADMP CC(C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001509526490 1073667063 /nfs/dbraw/zinc/66/70/63/1073667063.db2.gz KTWZAKYROZXUDE-NRFANRHFSA-N 2 1 458.655 1.845 20 0 JDADMP CC(C)[NH+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001509526490 1073667072 /nfs/dbraw/zinc/66/70/72/1073667072.db2.gz KTWZAKYROZXUDE-NRFANRHFSA-N 2 1 458.655 1.845 20 0 JDADMP CC(C)[NH+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001509526490 1073667081 /nfs/dbraw/zinc/66/70/81/1073667081.db2.gz KTWZAKYROZXUDE-NRFANRHFSA-N 2 1 458.655 1.845 20 0 JDADMP CC(C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001509526493 1073667299 /nfs/dbraw/zinc/66/72/99/1073667299.db2.gz KTWZAKYROZXUDE-OAQYLSRUSA-N 2 1 458.655 1.845 20 0 JDADMP CC(C)[NH+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001509526493 1073667317 /nfs/dbraw/zinc/66/73/17/1073667317.db2.gz KTWZAKYROZXUDE-OAQYLSRUSA-N 2 1 458.655 1.845 20 0 JDADMP CC(C)[NH+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001509526493 1073667327 /nfs/dbraw/zinc/66/73/27/1073667327.db2.gz KTWZAKYROZXUDE-OAQYLSRUSA-N 2 1 458.655 1.845 20 0 JDADMP CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC001509547320 1073673668 /nfs/dbraw/zinc/67/36/68/1073673668.db2.gz IVCHMRQXDWVDDM-RUZDIDTESA-N 2 1 461.699 1.928 20 0 JDADMP CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)C ZINC001509550228 1073675248 /nfs/dbraw/zinc/67/52/48/1073675248.db2.gz WDAZMRISQJSZIP-LEWJYISDSA-N 2 1 461.655 1.644 20 0 JDADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509566467 1073687451 /nfs/dbraw/zinc/68/74/51/1073687451.db2.gz VMARBWWODYFEAH-NRFANRHFSA-N 2 1 488.681 1.377 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509566467 1073687455 /nfs/dbraw/zinc/68/74/55/1073687455.db2.gz VMARBWWODYFEAH-NRFANRHFSA-N 2 1 488.681 1.377 20 0 JDADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509566467 1073687459 /nfs/dbraw/zinc/68/74/59/1073687459.db2.gz VMARBWWODYFEAH-NRFANRHFSA-N 2 1 488.681 1.377 20 0 JDADMP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001509582814 1073707873 /nfs/dbraw/zinc/70/78/73/1073707873.db2.gz WEQTYFIPTCMAQC-IBGZPJMESA-N 2 1 475.663 1.647 20 0 JDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164425822 718915396 /nfs/dbraw/zinc/91/53/96/718915396.db2.gz VOWCNNJRSIWRTD-DFBJGRDBSA-N 2 1 475.634 1.466 20 0 JDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164617185 719015915 /nfs/dbraw/zinc/01/59/15/719015915.db2.gz MXVGGAACUFZFQH-KJNZLNQQSA-N 2 1 473.618 1.610 20 0 JDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164617185 719015920 /nfs/dbraw/zinc/01/59/20/719015920.db2.gz MXVGGAACUFZFQH-KJNZLNQQSA-N 2 1 473.618 1.610 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4CCC(C5C[NH2+]C5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164614566 719037121 /nfs/dbraw/zinc/03/71/21/719037121.db2.gz CZQYASZPDWQDCO-UHFFFAOYSA-N 2 1 471.675 1.711 20 0 JDADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@H](CF)[C@@H](C5([NH3+])CC5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164624160 719121065 /nfs/dbraw/zinc/12/10/65/719121065.db2.gz UHKOBSASBDSAHY-HKUYNNGSSA-N 2 1 489.665 1.789 20 0 JDADMP CC(C)N(c1ccnc(N2CC[NH+](C)CC2)n1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164685674 719686702 /nfs/dbraw/zinc/68/67/02/719686702.db2.gz LPLSOVLZSLYACS-UHFFFAOYSA-N 2 1 467.622 1.090 20 0 JDADMP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)CC1 ZINC001164823358 720329456 /nfs/dbraw/zinc/32/94/56/720329456.db2.gz AVJPLGCZRICULK-NHCUHLMSSA-N 2 1 470.618 1.778 20 0 JDADMP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)CC1 ZINC001164823359 720329798 /nfs/dbraw/zinc/32/97/98/720329798.db2.gz AVJPLGCZRICULK-RTWAWAEBSA-N 2 1 470.618 1.778 20 0 JDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@@H]21 ZINC001164839423 720507350 /nfs/dbraw/zinc/50/73/50/720507350.db2.gz UECDPTZAWXXVQQ-LQWHRVPQSA-N 2 1 473.647 1.143 20 0 JDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839424 720507429 /nfs/dbraw/zinc/50/74/29/720507429.db2.gz UECDPTZAWXXVQQ-LVCYWYKZSA-N 2 1 473.647 1.143 20 0 JDADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164844229 720659290 /nfs/dbraw/zinc/65/92/90/720659290.db2.gz YUNOOLHQNDKZMZ-HXUWFJFHSA-N 2 1 485.654 1.828 20 0 JDADMP O=C(c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CC[NH2+]CC1 ZINC001164746657 720837508 /nfs/dbraw/zinc/83/75/08/720837508.db2.gz PVLFJCIDCVJPJC-RZUBCFFCSA-N 2 1 450.591 1.098 20 0 JDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748778 720855046 /nfs/dbraw/zinc/85/50/46/720855046.db2.gz MCUNRAOAVIYFOH-FDFHNCONSA-N 2 1 452.607 1.826 20 0 JDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164788665 721462976 /nfs/dbraw/zinc/46/29/76/721462976.db2.gz VLLILKHNJKVAGB-QFIPXVFZSA-N 2 1 471.646 1.861 20 0 JDADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164790593 721465152 /nfs/dbraw/zinc/46/51/52/721465152.db2.gz RTDHLBGYZATRSO-OAQYLSRUSA-N 2 1 486.661 1.650 20 0 JDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164790593 721465153 /nfs/dbraw/zinc/46/51/53/721465153.db2.gz RTDHLBGYZATRSO-OAQYLSRUSA-N 2 1 486.661 1.650 20 0 JDADMP C[N@@H+](Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793529 721475436 /nfs/dbraw/zinc/47/54/36/721475436.db2.gz WXZLBNXNIYVUHE-VQTJNVASSA-N 2 1 454.600 1.156 20 0 JDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]21 ZINC001165017799 721799879 /nfs/dbraw/zinc/79/98/79/721799879.db2.gz ASBJJPQSURVDTH-NQSCKRDGSA-N 2 1 470.643 1.700 20 0 JDADMP C[NH+](C)[C@H]1CCCN(c2nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n2)C1 ZINC001165034337 721894854 /nfs/dbraw/zinc/89/48/54/721894854.db2.gz COCSSHISPVTSKH-SFHVURJKSA-N 2 1 459.664 1.806 20 0 JDADMP O=C(c1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2)N1CC[NH2+]CC1 ZINC001164959985 722057591 /nfs/dbraw/zinc/05/75/91/722057591.db2.gz BNYDVYXNJPGYOW-UHFFFAOYSA-N 2 1 450.587 1.641 20 0 JDADMP