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EBADLN Cn1nc(C2CC2)cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000960125956 722796506 /nfs/dbraw/zinc/79/65/06/722796506.db2.gz SPLNTXAFTOUQMQ-MSRIBSCDSA-N 0 2 343.391 -0.019 20 0 EBADLN Cn1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC000960739079 722859151 /nfs/dbraw/zinc/85/91/51/722859151.db2.gz ONYREIGOPJUVCO-NSHDSACASA-N 0 2 347.379 -0.247 20 0 EBADLN Cn1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC000960739079 722859154 /nfs/dbraw/zinc/85/91/54/722859154.db2.gz ONYREIGOPJUVCO-NSHDSACASA-N 0 2 347.379 -0.247 20 0 EBADLN O=C(N[C@@H]1[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cccc2ncnn21 ZINC000960854413 722873197 /nfs/dbraw/zinc/87/31/97/722873197.db2.gz MELNYDWRIKBRAH-WOFXILAISA-N 0 2 340.347 -0.587 20 0 EBADLN O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cccc2ncnn21 ZINC000960854413 722873201 /nfs/dbraw/zinc/87/32/01/722873201.db2.gz MELNYDWRIKBRAH-WOFXILAISA-N 0 2 340.347 -0.587 20 0 EBADLN 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ZINC000961902931 723112108 /nfs/dbraw/zinc/11/21/08/723112108.db2.gz PPEGUTUVKFHUES-DTLFHODZSA-N 0 2 325.218 -0.124 20 0 EBADLN COCc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4n[nH]c(=O)[n-]4)C[C@H]32)no1 ZINC000961962301 723132497 /nfs/dbraw/zinc/13/24/97/723132497.db2.gz HRBBYMCLBXFPCY-GDGBQDQQSA-N 0 2 334.336 -0.495 20 0 EBADLN COCc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4n[nH]c(=O)[n-]4)C[C@H]32)no1 ZINC000961962301 723132498 /nfs/dbraw/zinc/13/24/98/723132498.db2.gz HRBBYMCLBXFPCY-GDGBQDQQSA-N 0 2 334.336 -0.495 20 0 EBADLN Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)o1 ZINC000962408785 723242866 /nfs/dbraw/zinc/24/28/66/723242866.db2.gz RWISDTCWGGSWHR-IWIIMEHWSA-N 0 2 348.363 -0.459 20 0 EBADLN Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)o1 ZINC000962408785 723242869 /nfs/dbraw/zinc/24/28/69/723242869.db2.gz RWISDTCWGGSWHR-IWIIMEHWSA-N 0 2 348.363 -0.459 20 0 EBADLN O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cncc(F)c3)C[C@H]21 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Cc1nonc1C(=O)N[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@@H]1O ZINC000968481933 725072134 /nfs/dbraw/zinc/07/21/34/725072134.db2.gz NIWGBMMPBKBICL-GKROBHDKSA-N 0 2 340.233 -0.420 20 0 EBADLN Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]1O ZINC000968481933 725072137 /nfs/dbraw/zinc/07/21/37/725072137.db2.gz NIWGBMMPBKBICL-GKROBHDKSA-N 0 2 340.233 -0.420 20 0 EBADLN Cc1nonc1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)CC[C@H]1C ZINC000968492718 725073670 /nfs/dbraw/zinc/07/36/70/725073670.db2.gz KNTJKNMRQDJRDT-LDYMZIIASA-N 0 2 335.368 -0.229 20 0 EBADLN COc1ccc(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@H]2C)nn1 ZINC000968509726 725075148 /nfs/dbraw/zinc/07/51/48/725075148.db2.gz OCCHCXIKTMYTEH-KOLCDFICSA-N 0 2 347.379 -0.051 20 0 EBADLN C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cccn(C)c1=O ZINC000968560980 725082712 /nfs/dbraw/zinc/08/27/12/725082712.db2.gz HEDPOAOVKJAIQI-JQWIXIFHSA-N 0 2 346.391 -0.151 20 0 EBADLN C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cccn(C)c1=O 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C[C@@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)c1nnc[nH]1 ZINC001574681381 948818455 /nfs/dbraw/zinc/81/84/55/948818455.db2.gz MJNOJKKAYHGAGN-ZETCQYMHSA-N 0 2 329.328 -0.605 20 0 EBADLN C[C@@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)c1ncn[nH]1 ZINC001574681381 948818473 /nfs/dbraw/zinc/81/84/73/948818473.db2.gz MJNOJKKAYHGAGN-ZETCQYMHSA-N 0 2 329.328 -0.605 20 0 EBADLN C[C@@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)c1nc[nH]n1 ZINC001574681381 948818484 /nfs/dbraw/zinc/81/84/84/948818484.db2.gz MJNOJKKAYHGAGN-ZETCQYMHSA-N 0 2 329.328 -0.605 20 0 EBADLN C[C@H](CNC(=O)CCc1nc[nH]n1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574920320 948897944 /nfs/dbraw/zinc/89/79/44/948897944.db2.gz IPFNWCLZKVJCJA-MRVPVSSYSA-N 0 2 343.355 -0.676 20 0 EBADLN CC(C)C1(CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001574087932 948901383 /nfs/dbraw/zinc/90/13/83/948901383.db2.gz BOKGBFFLAROGQI-UHFFFAOYSA-N 0 2 333.352 -0.319 20 0 EBADLN COC(C)(C)[C@H](C)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001570933736 948907170 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EBADLN C[C@]1(NC(=O)c2ncn[nH]2)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001570939909 949157647 /nfs/dbraw/zinc/15/76/47/949157647.db2.gz IGWGZVZUGVBCTO-ZDUSSCGKSA-N 0 2 341.339 -0.826 20 0 EBADLN C[C@]1(NC(=O)c2nc[nH]n2)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001570939909 949157655 /nfs/dbraw/zinc/15/76/55/949157655.db2.gz IGWGZVZUGVBCTO-ZDUSSCGKSA-N 0 2 341.339 -0.826 20 0 EBADLN O=C(NCC1CC(Nc2ccc(-c3nn[nH]n3)nn2)C1)c1cnn[nH]1 ZINC001570941557 949230321 /nfs/dbraw/zinc/23/03/21/949230321.db2.gz WQGGXAWXMKRTHG-UHFFFAOYSA-N 0 2 341.339 -0.605 20 0 EBADLN C[C@H](CNC(=O)Cc1nnc[nH]1)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001574944536 949397248 /nfs/dbraw/zinc/39/72/48/949397248.db2.gz DRBNYMUKAZXPMV-QMMMGPOBSA-N 0 2 343.355 -0.818 20 0 EBADLN C[C@@H](CNC(=O)Cc1nnc[nH]1)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001574947143 949441885 /nfs/dbraw/zinc/44/18/85/949441885.db2.gz ZUNAUALUSYTLRS-MRVPVSSYSA-N 0 2 343.355 -0.818 20 0 EBADLN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001570944767 949442514 /nfs/dbraw/zinc/44/25/14/949442514.db2.gz XOMMSTPFOUKIMB-DOLQZWNJSA-N 0 2 345.363 -0.463 20 0 EBADLN CC(C)n1nccc1NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574469301 949475543 /nfs/dbraw/zinc/47/55/43/949475543.db2.gz AJNLGCGMNQTTMJ-UHFFFAOYSA-N 0 2 345.323 -0.455 20 0 EBADLN C[C@@H]1CCC[C@H]1NC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576158458 949494939 /nfs/dbraw/zinc/49/49/39/949494939.db2.gz SUKHVYYOKKWOPZ-PSASIEDQSA-N 0 2 333.352 -0.176 20 0 EBADLN C[C@H](CNC(=O)[C@H](C)NC(N)=O)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574958123 949650368 /nfs/dbraw/zinc/65/03/68/949650368.db2.gz LFSFXLWPRWLRSU-SFYZADRCSA-N 0 2 333.356 -0.765 20 0 EBADLN CC(=O)NC1CCC(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001570949659 949650483 /nfs/dbraw/zinc/65/04/83/949650483.db2.gz RMCOWNOHZWBDJY-UHFFFAOYSA-N 0 2 348.367 -0.475 20 0 EBADLN C[C@@H]1CCCCN1NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576168877 949654006 /nfs/dbraw/zinc/65/40/06/949654006.db2.gz WIWIVJNWJMQTJY-MRVPVSSYSA-N 0 2 334.340 -0.965 20 0 EBADLN C[C@@H]1C[C@@H](CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CCO1 ZINC001570950132 949669772 /nfs/dbraw/zinc/66/97/72/949669772.db2.gz DTNONMNCUPAPAJ-BDAKNGLRSA-N 0 2 349.351 -0.940 20 0 EBADLN COCCC1(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CCC1 ZINC001570950582 949688474 /nfs/dbraw/zinc/68/84/74/949688474.db2.gz MNJWOYIZFHNOLW-UHFFFAOYSA-N 0 2 349.351 -0.796 20 0 EBADLN O=C([O-])CN1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)C1=O ZINC001595074615 951635071 /nfs/dbraw/zinc/63/50/71/951635071.db2.gz UFKCSTUXCYJODT-OLZOCXBDSA-N 0 2 339.392 -0.615 20 0 EBADLN O=C([O-])CN1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)C1=O ZINC001595074615 951635078 /nfs/dbraw/zinc/63/50/78/951635078.db2.gz UFKCSTUXCYJODT-OLZOCXBDSA-N 0 2 339.392 -0.615 20 0 EBADLN O=C([O-])CN1CC[C@H]([NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)C1=O ZINC001595078885 951664565 /nfs/dbraw/zinc/66/45/65/951664565.db2.gz DNOAVYCCQYJEKQ-STQMWFEESA-N 0 2 338.385 -0.069 20 0 EBADLN O=C([O-])C1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCS(=O)(=O)CC1 ZINC001594855363 954226852 /nfs/dbraw/zinc/22/68/52/954226852.db2.gz BYIDJLVNXUDZQX-SNVBAGLBSA-N 0 2 341.389 -0.406 20 0 EBADLN C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCC(=O)[O-] ZINC001593773433 954561446 /nfs/dbraw/zinc/56/14/46/954561446.db2.gz BCBQJLUMDPSRBZ-HNNXBMFYSA-N 0 2 329.397 -0.234 20 0 EBADLN C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCC(=O)[O-] ZINC001593773433 954561453 /nfs/dbraw/zinc/56/14/53/954561453.db2.gz BCBQJLUMDPSRBZ-HNNXBMFYSA-N 0 2 329.397 -0.234 20 0 EBADLN O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001594960119 955006962 /nfs/dbraw/zinc/00/69/62/955006962.db2.gz PUPRFOFAZZBRHC-MWLCHTKSSA-N 0 2 327.362 -0.844 20 0 EBADLN C[C@@H](CN(C)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC001589019489 955451752 /nfs/dbraw/zinc/45/17/52/955451752.db2.gz FLSSCTBEUSCLDM-RWMBFGLXSA-N 0 2 343.424 -0.267 20 0 EBADLN C[C@@H](CN(C)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC001589019489 955451759 /nfs/dbraw/zinc/45/17/59/955451759.db2.gz FLSSCTBEUSCLDM-RWMBFGLXSA-N 0 2 343.424 -0.267 20 0 EBADLN COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593860251 955528573 /nfs/dbraw/zinc/52/85/73/955528573.db2.gz JOFOPUGGCLWRDL-ZMLRMANQSA-N 0 2 339.348 -0.120 20 0 EBADLN COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593860251 955528585 /nfs/dbraw/zinc/52/85/85/955528585.db2.gz JOFOPUGGCLWRDL-ZMLRMANQSA-N 0 2 339.348 -0.120 20 0 EBADLN C[C@@H](CN(C)c1nnnn1CC(C)(C)[NH+]1CCOCC1)C(=O)[O-] ZINC001589037688 955562514 /nfs/dbraw/zinc/56/25/14/955562514.db2.gz DMSAUFYKJGLIRR-NSHDSACASA-N 0 2 326.401 -0.059 20 0 EBADLN Cn1nccc1[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)[O-] ZINC001594592969 956065728 /nfs/dbraw/zinc/06/57/28/956065728.db2.gz NXHGNTRAXVCXRW-LBPRGKRZSA-N 0 2 346.409 -0.813 20 0 EBADLN CO[C@@](C)(C(=O)[O-])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001593927765 956146733 /nfs/dbraw/zinc/14/67/33/956146733.db2.gz OOTNBFNCMFQODL-ZIAGYGMSSA-N 0 2 332.422 -0.200 20 0 EBADLN COC[C@]1(C(=O)[O-])CN(C(=O)NCCc2cn(C)c[nH+]2)CCO1 ZINC001593973384 956642525 /nfs/dbraw/zinc/64/25/25/956642525.db2.gz VZCXUFBCUUBYSN-AWEZNQCLSA-N 0 2 326.353 -0.526 20 0 EBADLN C[C@@H](CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCN(C)CC1 ZINC001603176808 972280928 /nfs/dbraw/zinc/28/09/28/972280928.db2.gz WFTXLSFLKYAQGQ-ZDUSSCGKSA-N 0 2 342.440 -0.197 20 0 EBADLN CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001594165377 958951468 /nfs/dbraw/zinc/95/14/68/958951468.db2.gz QTXVWYKTSOQCQA-CQSZACIVSA-N 0 2 348.421 -0.755 20 0 EBADLN Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C2 ZINC001594463807 959484554 /nfs/dbraw/zinc/48/45/54/959484554.db2.gz MKXODFSEKMDUOQ-SNVBAGLBSA-N 0 2 345.359 -0.041 20 0 EBADLN CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC001604927608 972491365 /nfs/dbraw/zinc/49/13/65/972491365.db2.gz OKVWHVVNIPQSNZ-LLVKDONJSA-N 0 2 333.410 -0.924 20 0 EBADLN CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC001604927608 972491372 /nfs/dbraw/zinc/49/13/72/972491372.db2.gz OKVWHVVNIPQSNZ-LLVKDONJSA-N 0 2 333.410 -0.924 20 0 EBADLN C[N@H+]([C@@H]1CCN(CC(=O)[O-])C1=O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001604102125 972504774 /nfs/dbraw/zinc/50/47/74/972504774.db2.gz LJZYMTLEOCRVJA-IJLUTSLNSA-N 0 2 332.422 -0.041 20 0 EBADLN C[N@@H+]([C@@H]1CCN(CC(=O)[O-])C1=O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001604102125 972504784 /nfs/dbraw/zinc/50/47/84/972504784.db2.gz LJZYMTLEOCRVJA-IJLUTSLNSA-N 0 2 332.422 -0.041 20 0 EBADLN CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001588844277 961853384 /nfs/dbraw/zinc/85/33/84/961853384.db2.gz YJLDBKUHYNMMLC-ABAIWWIYSA-N 0 2 340.380 -0.565 20 0 EBADLN CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001588844277 961853395 /nfs/dbraw/zinc/85/33/95/961853395.db2.gz YJLDBKUHYNMMLC-ABAIWWIYSA-N 0 2 340.380 -0.565 20 0 EBADLN O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC001571204753 962406113 /nfs/dbraw/zinc/40/61/13/962406113.db2.gz QMCWQPOBDOVZAO-BJHJDKERSA-N 0 2 332.422 -0.024 20 0 EBADLN O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)on1 ZINC000316055253 963970946 /nfs/dbraw/zinc/97/09/46/963970946.db2.gz WXSHFPFAUHTXPV-DTWKUNHWSA-N 0 2 331.350 -0.486 20 0 EBADLN O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)on1 ZINC000316055253 963970954 /nfs/dbraw/zinc/97/09/54/963970954.db2.gz WXSHFPFAUHTXPV-DTWKUNHWSA-N 0 2 331.350 -0.486 20 0 EBADLN O=C([O-])c1cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c[nH]1 ZINC000394688357 972739309 /nfs/dbraw/zinc/73/93/09/972739309.db2.gz KIEOCSLSQMWEJH-JTQLQIEISA-N 0 2 328.394 -0.619 20 0 EBADLN O=C([O-])c1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c[nH]1 ZINC000394688357 972739318 /nfs/dbraw/zinc/73/93/18/972739318.db2.gz KIEOCSLSQMWEJH-JTQLQIEISA-N 0 2 328.394 -0.619 20 0 EBADLN O=C([O-])C1(C(=O)NCCNc2cccc[nH+]2)CCS(=O)(=O)CC1 ZINC001605928547 972845255 /nfs/dbraw/zinc/84/52/55/972845255.db2.gz JNCCMXHHHWSRKP-UHFFFAOYSA-N 0 2 341.389 -0.111 20 0 EBADLN Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)C2 ZINC001605417078 973430988 /nfs/dbraw/zinc/43/09/88/973430988.db2.gz SPMANVTXZJROQZ-SNVBAGLBSA-N 0 2 347.375 -0.097 20 0 EBADLN O=C([O-])CN1CC[C@@H]([N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)C1=O ZINC001606232748 973502469 /nfs/dbraw/zinc/50/24/69/973502469.db2.gz YLTREOQHDWISCM-BFHYXJOUSA-N 0 2 346.387 -0.478 20 0 EBADLN O=C([O-])CN1CC[C@@H]([N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)C1=O ZINC001606232748 973502475 /nfs/dbraw/zinc/50/24/75/973502475.db2.gz YLTREOQHDWISCM-BFHYXJOUSA-N 0 2 346.387 -0.478 20 0 EBADLN CC(C)OCCN1CC[NH+](CCc2cn(CC(=O)[O-])nn2)CC1 ZINC001591724605 975670644 /nfs/dbraw/zinc/67/06/44/975670644.db2.gz ARMAABHSNAPIGA-UHFFFAOYSA-N 0 2 325.413 -0.052 20 0 EBADLN C[C@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001593053663 980360753 /nfs/dbraw/zinc/36/07/53/980360753.db2.gz KMMZRYBICDQQOO-UBHSHLNASA-N 0 2 342.440 -0.512 20 0 EBADLN 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UOSZMBGRKQHWMD-UHFFFAOYSA-N 0 2 340.409 -0.250 20 0 EBADLN C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001196090480 835345615 /nfs/dbraw/zinc/34/56/15/835345615.db2.gz IWEFHUMNCMUNQL-YUSALJHKSA-N 0 2 348.363 -0.966 20 0 EBADLN O=C(COC[C@H]1CCOC1)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001197324689 835538269 /nfs/dbraw/zinc/53/82/69/835538269.db2.gz QMFVVJNYSXZZKU-LBPRGKRZSA-N 0 2 339.396 -0.402 20 0 EBADLN CCCNC(=O)CCC(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001197856030 835616804 /nfs/dbraw/zinc/61/68/04/835616804.db2.gz KEXRPQZNSAITHN-UHFFFAOYSA-N 0 2 338.412 -0.149 20 0 EBADLN C[C@@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O)c1ccco1 ZINC001197874609 835618426 /nfs/dbraw/zinc/61/84/26/835618426.db2.gz LIARQZURSPDTLX-HBNTYKKESA-N 0 2 335.364 -0.042 20 0 EBADLN COc1ccc(S(=O)(=O)Nc2c(O)[nH]c(=O)[nH]c2=S)c(C)c1 ZINC001198966255 835743340 /nfs/dbraw/zinc/74/33/40/835743340.db2.gz BJFPLPBDTPQRHW-SECBINFHSA-N 0 2 343.386 -0.183 20 0 EBADLN C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001207023733 836745825 /nfs/dbraw/zinc/74/58/25/836745825.db2.gz XRNLRROTYPDYGJ-ZXFLCMHBSA-N 0 2 339.293 -0.055 20 0 EBADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1cnn(C)n1 ZINC001208658540 837097263 /nfs/dbraw/zinc/09/72/63/837097263.db2.gz XMBYIVGUTVJOCY-MWLCHTKSSA-N 0 2 334.384 -0.792 20 0 EBADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1cnn(C)n1 ZINC001208658540 837097268 /nfs/dbraw/zinc/09/72/68/837097268.db2.gz XMBYIVGUTVJOCY-MWLCHTKSSA-N 0 2 334.384 -0.792 20 0 EBADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1ncccn1 ZINC001209663918 837187256 /nfs/dbraw/zinc/18/72/56/837187256.db2.gz GYADCUJNCPZEDM-GHMZBOCLSA-N 0 2 331.380 -0.130 20 0 EBADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1ncccn1 ZINC001209663918 837187262 /nfs/dbraw/zinc/18/72/62/837187262.db2.gz GYADCUJNCPZEDM-GHMZBOCLSA-N 0 2 331.380 -0.130 20 0 EBADLN COCCCOCCC(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001210135644 837244290 /nfs/dbraw/zinc/24/42/90/837244290.db2.gz YTTITKVYPARSJV-VXGBXAGGSA-N 0 2 341.412 -0.110 20 0 EBADLN COCCCOCCC(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001210135644 837244297 /nfs/dbraw/zinc/24/42/97/837244297.db2.gz YTTITKVYPARSJV-VXGBXAGGSA-N 0 2 341.412 -0.110 20 0 EBADLN O=C(NCC1(O)CN(Cc2n[nH]c(=O)[nH]2)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001325214156 839819538 /nfs/dbraw/zinc/81/95/38/839819538.db2.gz OFABUTQCEUIUIJ-GRYCIOLGSA-N 0 2 333.392 -0.225 20 0 EBADLN O=C([O-])CCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001326238875 840068192 /nfs/dbraw/zinc/06/81/92/840068192.db2.gz FBMCLDSWQHHIRO-LBPRGKRZSA-N 0 2 327.381 -0.709 20 0 EBADLN O=C(NCc1n[nH]c(=O)[nH]1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC001327052808 840287770 /nfs/dbraw/zinc/28/77/70/840287770.db2.gz MRTYZITVVMSTCR-UHFFFAOYSA-N 0 2 327.304 -0.049 20 0 EBADLN CCO[N-]C(=O)CNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001329810916 841027176 /nfs/dbraw/zinc/02/71/76/841027176.db2.gz OMRYZXNGTNICMY-UHFFFAOYSA-N 0 2 347.375 -0.515 20 0 EBADLN O=C(CCn1cc[nH]c(=O)c1=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001332482485 841650357 /nfs/dbraw/zinc/65/03/57/841650357.db2.gz CJYNLWXZVVQDJY-SECBINFHSA-N 0 2 334.336 -0.843 20 0 EBADLN CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC[N@H+](C)CC1 ZINC001334836013 842138874 /nfs/dbraw/zinc/13/88/74/842138874.db2.gz VFGLDLKZCOCJAR-UHFFFAOYSA-N 0 2 330.410 -0.419 20 0 EBADLN CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC[N@@H+](C)CC1 ZINC001334836013 842138881 /nfs/dbraw/zinc/13/88/81/842138881.db2.gz VFGLDLKZCOCJAR-UHFFFAOYSA-N 0 2 330.410 -0.419 20 0 EBADLN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[C@H]1C(=O)[O-] ZINC001335216766 842228121 /nfs/dbraw/zinc/22/81/21/842228121.db2.gz MVNURSJNLVZWKZ-IJLUTSLNSA-N 0 2 334.376 -0.117 20 0 EBADLN CCN1C(=S)N=NC1CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001338739241 842867173 /nfs/dbraw/zinc/86/71/73/842867173.db2.gz RCVAXJKMDLTLDT-UHFFFAOYSA-N 0 2 334.365 -0.712 20 0 EBADLN C[C@H](CNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC001349842334 843943036 /nfs/dbraw/zinc/94/30/36/843943036.db2.gz ZQIQUVGEMCOZFB-UTUOFQBUSA-N 0 2 329.397 -0.609 20 0 EBADLN C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC001349842334 843943040 /nfs/dbraw/zinc/94/30/40/843943040.db2.gz ZQIQUVGEMCOZFB-UTUOFQBUSA-N 0 2 329.397 -0.609 20 0 EBADLN CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001349958244 843953198 /nfs/dbraw/zinc/95/31/98/843953198.db2.gz KCRXWHOSJGAGJB-TXEJJXNPSA-N 0 2 327.381 -0.854 20 0 EBADLN O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC001602149338 971157580 /nfs/dbraw/zinc/15/75/80/971157580.db2.gz YGDFJKCTDSUTQT-UHFFFAOYSA-N 0 2 335.360 -0.611 20 0 EBADLN C=C/C=C/CCNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001573314932 947241358 /nfs/dbraw/zinc/24/13/58/947241358.db2.gz HZGCHIDWBYJLAA-ONEGZZNKSA-N 0 2 331.336 -0.232 20 0 EBADLN C[C@H](C(=O)N1CC[C@H](c2n[nH]cc2N)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573622478 947680319 /nfs/dbraw/zinc/68/03/19/947680319.db2.gz ACRBNDNFQDQUAR-SFYZADRCSA-N 0 2 343.355 -0.659 20 0 EBADLN Cc1cncnc1N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001570926571 948692319 /nfs/dbraw/zinc/69/23/19/948692319.db2.gz ADOIIXVOYMBUFD-UHFFFAOYSA-N 0 2 327.308 -0.711 20 0 EBADLN O=c1c(-c2nn[nH]n2)cn(CCO)c(=O)n1Cc1ccccc1F ZINC001570928051 948724843 /nfs/dbraw/zinc/72/48/43/948724843.db2.gz CYVFDHZHOHTHRC-UHFFFAOYSA-N 0 2 332.295 -0.630 20 0 EBADLN O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC1(C2CCC2)CC1 ZINC001570928718 948739559 /nfs/dbraw/zinc/73/95/59/948739559.db2.gz ASOSVVPAWWJUTP-UHFFFAOYSA-N 0 2 331.336 -0.422 20 0 EBADLN CC(C)[C@@H](O)C1(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001574079560 948771862 /nfs/dbraw/zinc/77/18/62/948771862.db2.gz KDZSELUWFWMKSU-SECBINFHSA-N 0 2 335.368 -0.125 20 0 EBADLN C[C@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)c1nnc[nH]1 ZINC001574681380 948819481 /nfs/dbraw/zinc/81/94/81/948819481.db2.gz MJNOJKKAYHGAGN-SSDOTTSWSA-N 0 2 329.328 -0.605 20 0 EBADLN C[C@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)c1ncn[nH]1 ZINC001574681380 948819497 /nfs/dbraw/zinc/81/94/97/948819497.db2.gz MJNOJKKAYHGAGN-SSDOTTSWSA-N 0 2 329.328 -0.605 20 0 EBADLN C[C@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)c1nc[nH]n1 ZINC001574681380 948819514 /nfs/dbraw/zinc/81/95/14/948819514.db2.gz MJNOJKKAYHGAGN-SSDOTTSWSA-N 0 2 329.328 -0.605 20 0 EBADLN CC(C)c1coc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)n1 ZINC001574424587 948857121 /nfs/dbraw/zinc/85/71/21/948857121.db2.gz QZCZCOMXWYTQIQ-UHFFFAOYSA-N 0 2 346.307 -0.121 20 0 EBADLN COc1nscc1Cn1c(=O)c(-c2nn[nH]n2)c(C)n(C)c1=O ZINC001570933114 948874348 /nfs/dbraw/zinc/87/43/48/948874348.db2.gz FEZYKCSBKGPIAD-UHFFFAOYSA-N 0 2 335.349 -0.451 20 0 EBADLN C[C@H](CNC(=O)CCc1nc[nH]n1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574920882 948908460 /nfs/dbraw/zinc/90/84/60/948908460.db2.gz QCMIMTHYBNPPKI-MRVPVSSYSA-N 0 2 343.355 -0.676 20 0 EBADLN C[C@@H](F)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001575245487 949024621 /nfs/dbraw/zinc/02/46/21/949024621.db2.gz CJAIEGKQGCZCBJ-SSDOTTSWSA-N 0 2 340.319 -0.824 20 0 EBADLN C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)C1=NN(C)CC1=O ZINC001575250973 949123126 /nfs/dbraw/zinc/12/31/26/949123126.db2.gz JOAMJGSLAZUWOV-BQBZGAKWSA-N 0 2 332.328 -0.664 20 0 EBADLN O=C(CCc1ccoc1)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001570944024 949399558 /nfs/dbraw/zinc/39/95/58/949399558.db2.gz CHCWTOBIHCMOOP-UHFFFAOYSA-N 0 2 345.319 -0.529 20 0 EBADLN C[C@@H]1CC=C(C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001570944323 949415045 /nfs/dbraw/zinc/41/50/45/949415045.db2.gz NBZLYQLGGKCRJH-SECBINFHSA-N 0 2 345.363 -0.008 20 0 EBADLN Cn1c(=O)[nH]c(N2CCOC[C@H]2c2ccco2)c(-c2nn[nH]n2)c1=O ZINC001570944337 949415613 /nfs/dbraw/zinc/41/56/13/949415613.db2.gz NGOYEYCPDMVEJA-QMMMGPOBSA-N 0 2 345.319 -0.575 20 0 EBADLN C[C@H]1CCC[C@H](C)N1NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576155735 949418606 /nfs/dbraw/zinc/41/86/06/949418606.db2.gz UYWVCVAORGWFGB-IUCAKERBSA-N 0 2 348.367 -0.577 20 0 EBADLN Cc1cc(-c2nn[nH]n2)c(=O)[nH]c1C(=O)NC[C@H](O)c1cnn(C)c1 ZINC001570945863 949510556 /nfs/dbraw/zinc/51/05/56/949510556.db2.gz JVXYPILOEGLWEP-JTQLQIEISA-N 0 2 344.335 -0.527 20 0 EBADLN COc1ncc(NC(=O)CC2SC(=N)NC2=O)cc1-c1nn[nH]n1 ZINC001570949791 949655386 /nfs/dbraw/zinc/65/53/86/949655386.db2.gz SFYBGWPCPXARNB-ZETCQYMHSA-N 0 2 348.348 -0.235 20 0 EBADLN O=C([O-])c1cnc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cn1 ZINC001595267711 949772145 /nfs/dbraw/zinc/77/21/45/949772145.db2.gz JYWLOOOUKLDXMY-GFCCVEGCSA-N 0 2 334.332 -0.316 20 0 EBADLN CC(C)(C)/C=C/C(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001573825737 949894941 /nfs/dbraw/zinc/89/49/41/949894941.db2.gz BYCFCKOGQVRFOG-SNAWJCMRSA-N 0 2 333.352 -0.153 20 0 EBADLN C[C@@H](CN(C)C(=O)Cc1ncn[nH]1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574732540 950075489 /nfs/dbraw/zinc/07/54/89/950075489.db2.gz JUAONFATHPWNFG-VIFPVBQESA-N 0 2 342.367 -0.119 20 0 EBADLN C[C@H](CN(C)C(=O)c1cc[nH]n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574750867 950442593 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/nfs/dbraw/zinc/31/10/01/722311001.db2.gz GXRKRWPWFMPILO-ZJUUUORDSA-N 0 2 348.363 -0.402 20 0 EBADLN CCc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958163880 722315441 /nfs/dbraw/zinc/31/54/41/722315441.db2.gz GSXYZGMWVBDLHX-BXKDBHETSA-N 0 2 349.395 -0.971 20 0 EBADLN CCc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958163880 722315442 /nfs/dbraw/zinc/31/54/42/722315442.db2.gz GSXYZGMWVBDLHX-BXKDBHETSA-N 0 2 349.395 -0.971 20 0 EBADLN CCc1nn(C)cc1C(=O)NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958163881 722315621 /nfs/dbraw/zinc/31/56/21/722315621.db2.gz GSXYZGMWVBDLHX-CABZTGNLSA-N 0 2 349.395 -0.971 20 0 EBADLN CCc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958163881 722315622 /nfs/dbraw/zinc/31/56/22/722315622.db2.gz GSXYZGMWVBDLHX-CABZTGNLSA-N 0 2 349.395 -0.971 20 0 EBADLN Cc1cc(C)nc(C(=O)NC[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC000958201084 722323606 /nfs/dbraw/zinc/32/36/06/722323606.db2.gz WBCBCIQLKXBOLX-DGCLKSJQSA-N 0 2 346.391 -0.255 20 0 EBADLN Cc1cc(C)nc(C(=O)NC[C@@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC000958201084 722323607 /nfs/dbraw/zinc/32/36/07/722323607.db2.gz WBCBCIQLKXBOLX-DGCLKSJQSA-N 0 2 346.391 -0.255 20 0 EBADLN O=C(NC[C@H]1CN(Cc2nnc(C3CC3)o2)C[C@H]1O)c1cnn[nH]1 ZINC000958211005 722327971 /nfs/dbraw/zinc/32/79/71/722327971.db2.gz VQOQAYNXGFFQFJ-GXSJLCMTSA-N 0 2 333.352 -0.712 20 0 EBADLN Cc1cncc(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958264901 722335103 /nfs/dbraw/zinc/33/51/03/722335103.db2.gz YRKOEBNDMCOHNM-NEPJUHHUSA-N 0 2 346.391 -0.255 20 0 EBADLN Cc1cncc(C)c1C(=O)NC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958264901 722335104 /nfs/dbraw/zinc/33/51/04/722335104.db2.gz YRKOEBNDMCOHNM-NEPJUHHUSA-N 0 2 346.391 -0.255 20 0 EBADLN Cc1ncccc1C(=O)NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958359082 722352333 /nfs/dbraw/zinc/35/23/33/722352333.db2.gz BIWWIRXMIWRJSK-ZYHUDNBSSA-N 0 2 332.364 -0.564 20 0 EBADLN Cc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958359082 722352334 /nfs/dbraw/zinc/35/23/34/722352334.db2.gz BIWWIRXMIWRJSK-ZYHUDNBSSA-N 0 2 332.364 -0.564 20 0 EBADLN CN1CC(C(=O)NC[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2O)=NC1=O ZINC000958379879 722356079 /nfs/dbraw/zinc/35/60/79/722356079.db2.gz WBQMTTNRQFYLII-BXKDBHETSA-N 0 2 337.405 -0.195 20 0 EBADLN O=C(NC[C@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(C2CC2)n[nH]1 ZINC000958412244 722362147 /nfs/dbraw/zinc/36/21/47/722362147.db2.gz AVKZBWAVRGWQQP-CABZTGNLSA-N 0 2 347.379 -0.667 20 0 EBADLN O=C(NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(C2CC2)n[nH]1 ZINC000958412244 722362148 /nfs/dbraw/zinc/36/21/48/722362148.db2.gz AVKZBWAVRGWQQP-CABZTGNLSA-N 0 2 347.379 -0.667 20 0 EBADLN Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)nc(C)n1 ZINC000958485680 722376366 /nfs/dbraw/zinc/37/63/66/722376366.db2.gz PBRGGTDMKOQXFE-JQWIXIFHSA-N 0 2 347.379 -0.860 20 0 EBADLN Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)nc(C)n1 ZINC000958485680 722376367 /nfs/dbraw/zinc/37/63/67/722376367.db2.gz PBRGGTDMKOQXFE-JQWIXIFHSA-N 0 2 347.379 -0.860 20 0 EBADLN Cc1ncc(C(=O)NC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(C)n1 ZINC000958499463 722380011 /nfs/dbraw/zinc/38/00/11/722380011.db2.gz NYQSKEPAYYTNJB-CMPLNLGQSA-N 0 2 347.379 -0.860 20 0 EBADLN Cc1ncc(C(=O)NC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(C)n1 ZINC000958499463 722380012 /nfs/dbraw/zinc/38/00/12/722380012.db2.gz NYQSKEPAYYTNJB-CMPLNLGQSA-N 0 2 347.379 -0.860 20 0 EBADLN O=C(NC[C@@H]1C[N@@H+](Cc2nnsc2Cl)C[C@H]1O)c1nnc[n-]1 ZINC000958502711 722380985 /nfs/dbraw/zinc/38/09/85/722380985.db2.gz IIGRCEDGXMJXCM-HTRCEHHLSA-N 0 2 343.800 -0.468 20 0 EBADLN O=C(NC[C@@H]1C[N@H+](Cc2nnsc2Cl)C[C@H]1O)c1nnc[n-]1 ZINC000958502711 722380986 /nfs/dbraw/zinc/38/09/86/722380986.db2.gz IIGRCEDGXMJXCM-HTRCEHHLSA-N 0 2 343.800 -0.468 20 0 EBADLN O=C(NC[C@H]1C[N@@H+](Cc2nnsc2Cl)C[C@H]1O)c1nnc[n-]1 ZINC000958502712 722381175 /nfs/dbraw/zinc/38/11/75/722381175.db2.gz IIGRCEDGXMJXCM-POYBYMJQSA-N 0 2 343.800 -0.468 20 0 EBADLN O=C(NC[C@H]1C[N@H+](Cc2nnsc2Cl)C[C@H]1O)c1nnc[n-]1 ZINC000958502712 722381176 /nfs/dbraw/zinc/38/11/76/722381176.db2.gz IIGRCEDGXMJXCM-POYBYMJQSA-N 0 2 343.800 -0.468 20 0 EBADLN CCn1ncc(C(=O)NC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1C ZINC000958519692 722385399 /nfs/dbraw/zinc/38/53/99/722385399.db2.gz MVLDMXDCGSXMTQ-CMPLNLGQSA-N 0 2 349.395 -0.742 20 0 EBADLN CCn1ncc(C(=O)NC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1C ZINC000958519692 722385400 /nfs/dbraw/zinc/38/54/00/722385400.db2.gz MVLDMXDCGSXMTQ-CMPLNLGQSA-N 0 2 349.395 -0.742 20 0 EBADLN O=C(NC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncccc1F ZINC000958520998 722385974 /nfs/dbraw/zinc/38/59/74/722385974.db2.gz AEMYUSZVRAFMRL-SCZZXKLOSA-N 0 2 336.327 -0.733 20 0 EBADLN O=C(NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncccc1F ZINC000958520998 722385975 /nfs/dbraw/zinc/38/59/75/722385975.db2.gz AEMYUSZVRAFMRL-SCZZXKLOSA-N 0 2 336.327 -0.733 20 0 EBADLN O=C(NC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnoc1C1CC1 ZINC000958557278 722390460 /nfs/dbraw/zinc/39/04/60/722390460.db2.gz ZMMVGAKPDAALJJ-MWLCHTKSSA-N 0 2 348.363 -0.402 20 0 EBADLN O=C(NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnoc1C1CC1 ZINC000958557278 722390461 /nfs/dbraw/zinc/39/04/61/722390461.db2.gz ZMMVGAKPDAALJJ-MWLCHTKSSA-N 0 2 348.363 -0.402 20 0 EBADLN Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)c4nnnn4C)C[C@H]32)c1[O-] ZINC000958583214 722395313 /nfs/dbraw/zinc/39/53/13/722395313.db2.gz ITGCIKTXJIISBY-IMSYWVGJSA-N 0 2 332.368 -0.632 20 0 EBADLN Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)c4nnnn4C)C[C@H]32)c1[O-] ZINC000958583214 722395314 /nfs/dbraw/zinc/39/53/14/722395314.db2.gz ITGCIKTXJIISBY-IMSYWVGJSA-N 0 2 332.368 -0.632 20 0 EBADLN O=C(NC[C@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(Cl)no1 ZINC000958601859 722400153 /nfs/dbraw/zinc/40/01/53/722400153.db2.gz AXLUTWOQTAJFTC-NKWVEPMBSA-N 0 2 342.743 -0.626 20 0 EBADLN O=C(NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(Cl)no1 ZINC000958601859 722400154 /nfs/dbraw/zinc/40/01/54/722400154.db2.gz AXLUTWOQTAJFTC-NKWVEPMBSA-N 0 2 342.743 -0.626 20 0 EBADLN CCc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)no1 ZINC000958602657 722400434 /nfs/dbraw/zinc/40/04/34/722400434.db2.gz JSVNWKGYRWIOMX-LDYMZIIASA-N 0 2 336.352 -0.717 20 0 EBADLN CCc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)no1 ZINC000958602657 722400435 /nfs/dbraw/zinc/40/04/35/722400435.db2.gz JSVNWKGYRWIOMX-LDYMZIIASA-N 0 2 336.352 -0.717 20 0 EBADLN COc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC000958609719 722401854 /nfs/dbraw/zinc/40/18/54/722401854.db2.gz JZEZQLUZGHVUAP-WCQYABFASA-N 0 2 347.375 -0.258 20 0 EBADLN COc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC000958609719 722401855 /nfs/dbraw/zinc/40/18/55/722401855.db2.gz JZEZQLUZGHVUAP-WCQYABFASA-N 0 2 347.375 -0.258 20 0 EBADLN CN(C(=O)c1cc[nH]n1)[C@H]1CN(C(=O)C(F)C(F)(F)F)C[C@@H]1O ZINC000958646924 722409396 /nfs/dbraw/zinc/40/93/96/722409396.db2.gz ONFXQHNFVOKXCH-XHNCKOQMSA-N 0 2 338.261 -0.046 20 0 EBADLN CN(C(=O)c1ccn[nH]1)[C@H]1CN(C(=O)C(F)C(F)(F)F)C[C@@H]1O ZINC000958646924 722409397 /nfs/dbraw/zinc/40/93/97/722409397.db2.gz ONFXQHNFVOKXCH-XHNCKOQMSA-N 0 2 338.261 -0.046 20 0 EBADLN CN(C(=O)c1cn[nH]c1)[C@H]1CN(C(=O)C(F)C(F)(F)F)C[C@@H]1O ZINC000958656536 722410936 /nfs/dbraw/zinc/41/09/36/722410936.db2.gz HKWBQFNVCLFVGB-XHNCKOQMSA-N 0 2 338.261 -0.046 20 0 EBADLN CN(C(=O)c1cn[nH]c1)[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]1O ZINC000958656536 722410937 /nfs/dbraw/zinc/41/09/37/722410937.db2.gz HKWBQFNVCLFVGB-XHNCKOQMSA-N 0 2 338.261 -0.046 20 0 EBADLN Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(C)n1C ZINC000958661316 722412340 /nfs/dbraw/zinc/41/23/40/722412340.db2.gz HHKJTECOYDLFDY-DGCLKSJQSA-N 0 2 348.407 -0.312 20 0 EBADLN Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(C)n1C ZINC000958661316 722412341 /nfs/dbraw/zinc/41/23/41/722412341.db2.gz HHKJTECOYDLFDY-DGCLKSJQSA-N 0 2 348.407 -0.312 20 0 EBADLN CCc1ncncc1C(=O)NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958683468 722417146 /nfs/dbraw/zinc/41/71/46/722417146.db2.gz GTSHINMCTOXKSC-SKDRFNHKSA-N 0 2 347.379 -0.915 20 0 EBADLN CCc1ncncc1C(=O)NC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958683468 722417148 /nfs/dbraw/zinc/41/71/48/722417148.db2.gz GTSHINMCTOXKSC-SKDRFNHKSA-N 0 2 347.379 -0.915 20 0 EBADLN C[C@H](NC(=O)c1cccnn1)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000959131959 722689047 /nfs/dbraw/zinc/68/90/47/722689047.db2.gz YWFIYILXVIHBNC-QWRGUYRKSA-N 0 2 345.363 -0.559 20 0 EBADLN C[C@H](NC(=O)c1cccnn1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000959132283 722689092 /nfs/dbraw/zinc/68/90/92/722689092.db2.gz ZOHRJHMYMMFWBQ-KBPBESRZSA-N 0 2 347.419 -0.224 20 0 EBADLN C[C@H](NC(=O)c1cnon1)[C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 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340.468 -0.188 20 0 EBADLN COc1cccc(C(=O)NCC(=O)NCCCc2n[nH]c(=O)[nH]2)c1 ZINC000360881341 380271569 /nfs/dbraw/zinc/27/15/69/380271569.db2.gz QLFZILVCWHVPOF-UHFFFAOYSA-N 0 2 333.348 -0.002 20 0 EBADLN Cn1c(CS(=O)(=O)c2nc3ccccc3[nH]2)cc(=O)n(C)c1=O ZINC000079694789 380210057 /nfs/dbraw/zinc/21/00/57/380210057.db2.gz AGKHIRBOEMDPKM-UHFFFAOYSA-N 0 2 334.357 -0.066 20 0 EBADLN C[C@@H]1CCCN(S(=O)(=O)N[C@@H](C[NH+]2CCOCC2)C(=O)[O-])C1 ZINC000548536660 380213342 /nfs/dbraw/zinc/21/33/42/380213342.db2.gz NKNGSAFHGBLOGL-NEPJUHHUSA-N 0 2 335.426 -0.662 20 0 EBADLN COCCCONC(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000287674906 380367779 /nfs/dbraw/zinc/36/77/79/380367779.db2.gz DLGXLXZVRAKAAZ-UHFFFAOYSA-N 0 2 327.362 -0.191 20 0 EBADLN CCOc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000565844326 380435797 /nfs/dbraw/zinc/43/57/97/380435797.db2.gz ZFOFUAIYYYBFOS-GDBMZVCRSA-N 0 2 346.431 -0.055 20 0 EBADLN C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCC[NH+]1CCCOCC1 ZINC000567573478 380528179 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CC(C)(C)c1nnc(C[N@@H+]2C[C@@H](CNC(=O)c3cnn[n-]3)[C@H](O)C2)o1 ZINC000958206886 722325935 /nfs/dbraw/zinc/32/59/35/722325935.db2.gz OPPBVARXZCVJIN-MWLCHTKSSA-N 0 2 349.395 -0.292 20 0 EBADLN O=C(NC[C@H]1C[N@@H+](Cc2nc(C3CCC3)no2)C[C@@H]1O)c1cnn[n-]1 ZINC000958207893 722326475 /nfs/dbraw/zinc/32/64/75/722326475.db2.gz ZBUYTMHIZPNRIX-JQWIXIFHSA-N 0 2 347.379 -0.322 20 0 EBADLN O=C(NC[C@H]1C[N@H+](Cc2nc(C3CCC3)no2)C[C@@H]1O)c1cnn[n-]1 ZINC000958207893 722326476 /nfs/dbraw/zinc/32/64/76/722326476.db2.gz ZBUYTMHIZPNRIX-JQWIXIFHSA-N 0 2 347.379 -0.322 20 0 EBADLN CCn1ccc(C(=O)NC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1C ZINC000958329448 722347141 /nfs/dbraw/zinc/34/71/41/722347141.db2.gz ZEAOXLBVZSFXRV-WCQYABFASA-N 0 2 348.407 -0.137 20 0 EBADLN CCn1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1C ZINC000958329448 722347142 /nfs/dbraw/zinc/34/71/42/722347142.db2.gz ZEAOXLBVZSFXRV-WCQYABFASA-N 0 2 348.407 -0.137 20 0 EBADLN 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329.397 -0.427 20 0 EBADLN CC[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC001595484558 981222499 /nfs/dbraw/zinc/22/24/99/981222499.db2.gz SHIVJNUZCILJOY-OLZOCXBDSA-N 0 2 343.424 -0.027 20 0 EBADLN CC[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC001595484558 981222505 /nfs/dbraw/zinc/22/25/05/981222505.db2.gz SHIVJNUZCILJOY-OLZOCXBDSA-N 0 2 343.424 -0.027 20 0 EBADLN C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594505160 985707283 /nfs/dbraw/zinc/70/72/83/985707283.db2.gz ANHCPBIHBMPVTQ-VIFPVBQESA-N 0 2 347.393 -0.162 20 0 EBADLN C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594505160 985707295 /nfs/dbraw/zinc/70/72/95/985707295.db2.gz ANHCPBIHBMPVTQ-VIFPVBQESA-N 0 2 347.393 -0.162 20 0 EBADLN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001589345913 986283146 /nfs/dbraw/zinc/28/31/46/986283146.db2.gz IOLSEVOQSZDFEE-LBPRGKRZSA-N 0 2 341.408 -0.511 20 0 EBADLN 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990560586 /nfs/dbraw/zinc/56/05/86/990560586.db2.gz FEPFZBBHRSGAGF-CYBMUJFWSA-N 0 2 340.424 -0.842 20 0 EBADLN CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC001591167728 991939172 /nfs/dbraw/zinc/93/91/72/991939172.db2.gz LIWAROVDCCBONQ-MEBBXXQBSA-N 0 2 340.380 -0.724 20 0 EBADLN CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC001591167728 991939179 /nfs/dbraw/zinc/93/91/79/991939179.db2.gz LIWAROVDCCBONQ-MEBBXXQBSA-N 0 2 340.380 -0.724 20 0 EBADLN CN(C)c1noc(C[N@H+](C)CCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001598479966 992133075 /nfs/dbraw/zinc/13/30/75/992133075.db2.gz PEUDKZQZPBNIOO-UWVGGRQHSA-N 0 2 325.369 -0.206 20 0 EBADLN CN(C)c1noc(C[N@@H+](C)CCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001598479966 992133081 /nfs/dbraw/zinc/13/30/81/992133081.db2.gz PEUDKZQZPBNIOO-UWVGGRQHSA-N 0 2 325.369 -0.206 20 0 EBADLN C[N@H+](CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])CC1(CS(C)(=O)=O)CC1 ZINC001598488831 992252683 /nfs/dbraw/zinc/25/26/83/992252683.db2.gz 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UIXPMZNTINOSNU-NWDGAFQWSA-N 0 2 332.422 -0.181 20 0 EBADLN C[C@H]([C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[NH+]1CCOCC1 ZINC001593026206 980288256 /nfs/dbraw/zinc/28/82/56/980288256.db2.gz SYJGPRWBFIYZAI-XQQFMLRXSA-N 0 2 341.408 -0.465 20 0 EBADLN CC[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC001595484557 981222543 /nfs/dbraw/zinc/22/25/43/981222543.db2.gz SHIVJNUZCILJOY-CHWSQXEVSA-N 0 2 343.424 -0.027 20 0 EBADLN CC[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC001595484557 981222549 /nfs/dbraw/zinc/22/25/49/981222549.db2.gz SHIVJNUZCILJOY-CHWSQXEVSA-N 0 2 343.424 -0.027 20 0 EBADLN CCN1C(=O)[C@H]2C[N@@H+]([C@H](CCC(=O)[O-])C(=O)OC)CCN2C1=O ZINC001596390003 983922166 /nfs/dbraw/zinc/92/21/66/983922166.db2.gz PMPDNXSUIKJTDF-NXEZZACHSA-N 0 2 327.337 -0.639 20 0 EBADLN CCN1C(=O)[C@H]2C[N@H+]([C@H](CCC(=O)[O-])C(=O)OC)CCN2C1=O ZINC001596390003 983922168 /nfs/dbraw/zinc/92/21/68/983922168.db2.gz PMPDNXSUIKJTDF-NXEZZACHSA-N 0 2 327.337 -0.639 20 0 EBADLN C/C(=C\CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)[O-] ZINC001588964398 984745470 /nfs/dbraw/zinc/74/54/70/984745470.db2.gz HSFYORMJCRLHLD-BHMYTGSFSA-N 0 2 339.392 -0.686 20 0 EBADLN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001594516387 985902378 /nfs/dbraw/zinc/90/23/78/985902378.db2.gz VSESIMQEUNKPTI-NWDGAFQWSA-N 0 2 330.406 -0.058 20 0 EBADLN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001594516387 985902385 /nfs/dbraw/zinc/90/23/85/985902385.db2.gz VSESIMQEUNKPTI-NWDGAFQWSA-N 0 2 330.406 -0.058 20 0 EBADLN C[C@@H]1[C@H](NC(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)CCS1(=O)=O ZINC001594519034 985937725 /nfs/dbraw/zinc/93/77/25/985937725.db2.gz HSPJGSRNTQUFBH-QJPTWQEYSA-N 0 2 347.437 -0.248 20 0 EBADLN C[C@@H]1[C@H](NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)CCS1(=O)=O ZINC001594519034 985937732 /nfs/dbraw/zinc/93/77/32/985937732.db2.gz HSPJGSRNTQUFBH-QJPTWQEYSA-N 0 2 347.437 -0.248 20 0 EBADLN CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)CC1 ZINC001596929155 986010253 /nfs/dbraw/zinc/01/02/53/986010253.db2.gz PLKDUXDBEFGKAL-STQMWFEESA-N 0 2 341.408 -0.511 20 0 EBADLN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001589335703 986212973 /nfs/dbraw/zinc/21/29/73/986212973.db2.gz BQUDHZIRZINTOR-JCIQBVFBSA-N 0 2 330.406 -0.717 20 0 EBADLN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001589335703 986212979 /nfs/dbraw/zinc/21/29/79/986212979.db2.gz BQUDHZIRZINTOR-JCIQBVFBSA-N 0 2 330.406 -0.717 20 0 EBADLN C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC001589497656 987089581 /nfs/dbraw/zinc/08/95/81/987089581.db2.gz OIGXNTUVTSUSJU-GFCCVEGCSA-N 0 2 349.387 -0.050 20 0 EBADLN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001589623390 987514369 /nfs/dbraw/zinc/51/43/69/987514369.db2.gz ZKRRFRRDLDVUOB-LLVKDONJSA-N 0 2 332.422 -0.181 20 0 EBADLN CCn1c(C[N@@H+]2CCC[C@@H](O)C2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597850717 989591028 /nfs/dbraw/zinc/59/10/28/989591028.db2.gz RSPKJZVDZXXOPK-VXGBXAGGSA-N 0 2 339.396 -0.456 20 0 EBADLN CCn1c(C[N@H+]2CCC[C@@H](O)C2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597850717 989591035 /nfs/dbraw/zinc/59/10/35/989591035.db2.gz RSPKJZVDZXXOPK-VXGBXAGGSA-N 0 2 339.396 -0.456 20 0 EBADLN CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001598127676 990562480 /nfs/dbraw/zinc/56/24/80/990562480.db2.gz MXXPWRRLOYVQIS-UHFFFAOYSA-N 0 2 336.392 -0.041 20 0 EBADLN CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001598127676 990562483 /nfs/dbraw/zinc/56/24/83/990562483.db2.gz MXXPWRRLOYVQIS-UHFFFAOYSA-N 0 2 336.392 -0.041 20 0 EBADLN CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CCOCC1 ZINC001590982424 991151081 /nfs/dbraw/zinc/15/10/81/991151081.db2.gz NLSGADCMTWVVGB-JHJVBQTASA-N 0 2 341.408 -0.561 20 0 EBADLN CN(C)c1ccc(S(=O)(=O)N2CC[NH+](CC(=O)[O-])CC2)cn1 ZINC001598330195 991368922 /nfs/dbraw/zinc/36/89/22/991368922.db2.gz MCOOEYMEARAJCR-UHFFFAOYSA-N 0 2 328.394 -0.462 20 0 EBADLN CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC001591167729 991938784 /nfs/dbraw/zinc/93/87/84/991938784.db2.gz LIWAROVDCCBONQ-ZUZCIYMTSA-N 0 2 340.380 -0.724 20 0 EBADLN CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC001591167729 991938796 /nfs/dbraw/zinc/93/87/96/991938796.db2.gz LIWAROVDCCBONQ-ZUZCIYMTSA-N 0 2 340.380 -0.724 20 0 EBADLN CN(CCC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598478096 992107323 /nfs/dbraw/zinc/10/73/23/992107323.db2.gz ZQCNSVZGAQALMU-UWVGGRQHSA-N 0 2 325.369 -0.891 20 0 EBADLN CN(CCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598478096 992107327 /nfs/dbraw/zinc/10/73/27/992107327.db2.gz ZQCNSVZGAQALMU-UWVGGRQHSA-N 0 2 325.369 -0.891 20 0 EBADLN CN(CCCn1cc[nH+]c1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598485645 992202316 /nfs/dbraw/zinc/20/23/16/992202316.db2.gz UBLNOPGFYYMVJE-UHFFFAOYSA-N 0 2 325.369 -0.104 20 0 EBADLN C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001598556514 993063145 /nfs/dbraw/zinc/06/31/45/993063145.db2.gz NSDRLNQKNHQSHC-XHBSWPGZSA-N 0 2 341.408 -0.378 20 0 EBADLN C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001598556514 993063150 /nfs/dbraw/zinc/06/31/50/993063150.db2.gz NSDRLNQKNHQSHC-XHBSWPGZSA-N 0 2 341.408 -0.378 20 0 EBADLN C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598556563 993064062 /nfs/dbraw/zinc/06/40/62/993064062.db2.gz QALDIDOOBYYPEH-BFQNTYOBSA-N 0 2 342.392 -0.649 20 0 EBADLN C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598556563 993064065 /nfs/dbraw/zinc/06/40/65/993064065.db2.gz QALDIDOOBYYPEH-BFQNTYOBSA-N 0 2 342.392 -0.649 20 0 EBADLN C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=S)NCCCC(=O)[O-] ZINC001598556825 993065381 /nfs/dbraw/zinc/06/53/81/993065381.db2.gz SYOMFQUZGXYCFT-OAHLLOKOSA-N 0 2 345.465 -0.069 20 0 EBADLN C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=S)NCCCC(=O)[O-] ZINC001598556825 993065386 /nfs/dbraw/zinc/06/53/86/993065386.db2.gz SYOMFQUZGXYCFT-OAHLLOKOSA-N 0 2 345.465 -0.069 20 0 EBADLN CN1CC[N@H+](C)[C@H](CN2C(=O)NC3(CCC(C(=O)[O-])CC3)C2=O)C1 ZINC001598610624 993765292 /nfs/dbraw/zinc/76/52/92/993765292.db2.gz CTKPYKOQWLYQKM-BGMSHATGSA-N 0 2 338.408 -0.202 20 0 EBADLN CN1CC[N@@H+](C)[C@H](CN2C(=O)NC3(CCC(C(=O)[O-])CC3)C2=O)C1 ZINC001598610624 993765302 /nfs/dbraw/zinc/76/53/02/993765302.db2.gz CTKPYKOQWLYQKM-BGMSHATGSA-N 0 2 338.408 -0.202 20 0 EBADLN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001598633865 994215216 /nfs/dbraw/zinc/21/52/16/994215216.db2.gz RVLPTFURVHJSIM-UFBFGSQYSA-N 0 2 337.298 -0.123 20 0 EBADLN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001598633865 994215220 /nfs/dbraw/zinc/21/52/20/994215220.db2.gz RVLPTFURVHJSIM-UFBFGSQYSA-N 0 2 337.298 -0.123 20 0 EBADLN C[C@]([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 ZINC001593230734 994366429 /nfs/dbraw/zinc/36/64/29/994366429.db2.gz KWJKXTMLNCTCBB-IUODEOHRSA-N 0 2 340.401 -0.121 20 0 EBADLN CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001598655879 994520586 /nfs/dbraw/zinc/52/05/86/994520586.db2.gz PEPZSQMMTWCGGT-LBPRGKRZSA-N 0 2 331.332 -0.481 20 0 EBADLN CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001598655879 994520598 /nfs/dbraw/zinc/52/05/98/994520598.db2.gz PEPZSQMMTWCGGT-LBPRGKRZSA-N 0 2 331.332 -0.481 20 0 EBADLN C[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001593347702 994959789 /nfs/dbraw/zinc/95/97/89/994959789.db2.gz QCPDLWYCTWDJPL-RKDXNWHRSA-N 0 2 348.450 -0.246 20 0 EBADLN C[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001593347702 994959799 /nfs/dbraw/zinc/95/97/99/994959799.db2.gz QCPDLWYCTWDJPL-RKDXNWHRSA-N 0 2 348.450 -0.246 20 0 EBADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CCN1C(=O)N[C@H](C)C1=O ZINC001598749430 995632870 /nfs/dbraw/zinc/63/28/70/995632870.db2.gz GPEQALHDVHCXPA-BBBLOLIVSA-N 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COC(=O)[C@H]1C[N@H+](Cc2nnnn2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598825347 996375676 /nfs/dbraw/zinc/37/56/76/996375676.db2.gz JWPUOJDTEXAKDS-RYUDHWBXSA-N 0 2 331.332 -0.032 20 0 EBADLN COC(=O)[C@H]1C[N@@H+](Cc2nnnn2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598825347 996375683 /nfs/dbraw/zinc/37/56/83/996375683.db2.gz JWPUOJDTEXAKDS-RYUDHWBXSA-N 0 2 331.332 -0.032 20 0 EBADLN COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)[O-])O1 ZINC001598858155 996655441 /nfs/dbraw/zinc/65/54/41/996655441.db2.gz JSIGGHBEHUQODQ-SDDRHHMPSA-N 0 2 339.348 -0.047 20 0 EBADLN COC[C@]1(C(=O)OC)CCC[N@@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC001599193642 997175864 /nfs/dbraw/zinc/17/58/64/997175864.db2.gz AMOUKDAAIMGWAX-AWEZNQCLSA-N 0 2 326.353 -0.441 20 0 EBADLN COC[C@]1(C(=O)OC)CCC[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC001599193642 997175876 /nfs/dbraw/zinc/17/58/76/997175876.db2.gz AMOUKDAAIMGWAX-AWEZNQCLSA-N 0 2 326.353 -0.441 20 0 EBADLN COc1ccc([C@@H](CC(=O)[O-])NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC001599510765 997295093 /nfs/dbraw/zinc/29/50/93/997295093.db2.gz PQUJTPICWLHTSY-CYBMUJFWSA-N 0 2 335.360 -0.241 20 0 EBADLN COC(=O)c1cc(C(=O)[O-])n(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)n1 ZINC001598922537 997592962 /nfs/dbraw/zinc/59/29/62/997592962.db2.gz QRAYLJMWMCRBJQ-SECBINFHSA-N 0 2 338.320 -0.148 20 0 EBADLN COC(=O)c1cc(C(=O)[O-])n(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)n1 ZINC001598922537 997592974 /nfs/dbraw/zinc/59/29/74/997592974.db2.gz QRAYLJMWMCRBJQ-SECBINFHSA-N 0 2 338.320 -0.148 20 0 EBADLN COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001599163460 998499043 /nfs/dbraw/zinc/49/90/43/998499043.db2.gz JSCFTJBQCZWSDT-DGCLKSJQSA-N 0 2 341.364 -0.140 20 0 EBADLN COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001599163460 998499051 /nfs/dbraw/zinc/49/90/51/998499051.db2.gz JSCFTJBQCZWSDT-DGCLKSJQSA-N 0 2 341.364 -0.140 20 0 EBADLN COC(C[N@H+](CCC(=O)[O-])Cc1nc2c(cnn2C)c(=O)[nH]1)OC ZINC001599048577 999170227 /nfs/dbraw/zinc/17/02/27/999170227.db2.gz ZDOCTLCVEHMRTE-UHFFFAOYSA-N 0 2 339.352 -0.036 20 0 EBADLN COC(C[N@@H+](CCC(=O)[O-])Cc1nc2c(cnn2C)c(=O)[nH]1)OC ZINC001599048577 999170228 /nfs/dbraw/zinc/17/02/28/999170228.db2.gz ZDOCTLCVEHMRTE-UHFFFAOYSA-N 0 2 339.352 -0.036 20 0 EBADLN CO[C@]1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC001599072492 999343016 /nfs/dbraw/zinc/34/30/16/999343016.db2.gz NRQBLXXZXBPPJH-OAHLLOKOSA-N 0 2 329.397 -0.018 20 0 EBADLN CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001691083398 1125831147 /nfs/dbraw/zinc/83/11/47/1125831147.db2.gz VKEDOWSKKFEYNN-ZUZCIYMTSA-N 0 2 336.396 -0.493 20 0 EBADLN CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001691083398 1125831150 /nfs/dbraw/zinc/83/11/50/1125831150.db2.gz VKEDOWSKKFEYNN-ZUZCIYMTSA-N 0 2 336.396 -0.493 20 0 EBADLN Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001691168339 1125839994 /nfs/dbraw/zinc/83/99/94/1125839994.db2.gz HNPMHHVIAZUMFO-JSGCOSHPSA-N 0 2 347.419 -0.404 20 0 EBADLN O=C(NCC[N@H+](Cc1n[nH]c(=O)[n-]1)C1CC1)c1ccc2nnnn2c1 ZINC001691217254 1125843455 /nfs/dbraw/zinc/84/34/55/1125843455.db2.gz BDSHQDXYYQLKNE-UHFFFAOYSA-N 0 2 343.351 -0.658 20 0 EBADLN O=C(NCC[N@@H+](Cc1n[nH]c(=O)[n-]1)C1CC1)c1ccc2nnnn2c1 ZINC001691217254 1125843457 /nfs/dbraw/zinc/84/34/57/1125843457.db2.gz BDSHQDXYYQLKNE-UHFFFAOYSA-N 0 2 343.351 -0.658 20 0 EBADLN CC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001408700791 1125930779 /nfs/dbraw/zinc/93/07/79/1125930779.db2.gz ZSHWEFFIQBDATP-GHMZBOCLSA-N 0 2 346.391 -0.308 20 0 EBADLN Cc1cc(C[N@H+](CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C2CC2)nn1C ZINC001481177696 1125934462 /nfs/dbraw/zinc/93/44/62/1125934462.db2.gz GDBRXKKDJXGBMO-UHFFFAOYSA-N 0 2 347.379 -0.281 20 0 EBADLN Cc1cc(C[N@@H+](CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C2CC2)nn1C ZINC001481177696 1125934464 /nfs/dbraw/zinc/93/44/64/1125934464.db2.gz GDBRXKKDJXGBMO-UHFFFAOYSA-N 0 2 347.379 -0.281 20 0 EBADLN CNC(=O)c1cc(S(=O)(=O)Nc2cnn(CCO)c2)cn1C ZINC001649694778 1126011529 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ZINC001483856989 1126483788 /nfs/dbraw/zinc/48/37/88/1126483788.db2.gz LWDWGZMFMAOTQE-NSHDSACASA-N 0 2 333.392 -0.052 20 0 EBADLN C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001483894421 1126488739 /nfs/dbraw/zinc/48/87/39/1126488739.db2.gz KQJKFRSISMVZFB-PWSUYJOCSA-N 0 2 339.396 -0.263 20 0 EBADLN Cc1ccn(C)c1C(=O)NC[C@]1(O)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001484212966 1126521863 /nfs/dbraw/zinc/52/18/63/1126521863.db2.gz AYWSMPGASRHWAG-OAHLLOKOSA-N 0 2 334.380 -0.476 20 0 EBADLN Cc1ccn(C)c1C(=O)NC[C@]1(O)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001484212966 1126521865 /nfs/dbraw/zinc/52/18/65/1126521865.db2.gz AYWSMPGASRHWAG-OAHLLOKOSA-N 0 2 334.380 -0.476 20 0 EBADLN O=C(NCC1(O)CN(Cc2n[nH]c(=O)[nH]2)C1)C1(C(F)F)CCCC1 ZINC001484290537 1126554581 /nfs/dbraw/zinc/55/45/81/1126554581.db2.gz OESSDRYPOOKIGX-UHFFFAOYSA-N 0 2 345.350 -0.001 20 0 EBADLN O=C(CCc1cn[nH]n1)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001484602852 1126608375 /nfs/dbraw/zinc/60/83/75/1126608375.db2.gz DKNKCIQYBPVYEE-DZGCQCFKSA-N 0 2 337.424 -0.019 20 0 EBADLN Cc1nc(C)c(CC(=O)NC[C@H](C)[N@H+](C)Cc2n[nH]c(=O)[n-]2)c(=O)[nH]1 ZINC001485384116 1126695612 /nfs/dbraw/zinc/69/56/12/1126695612.db2.gz RCFHMLULPKMSHT-QMMMGPOBSA-N 0 2 349.395 -0.198 20 0 EBADLN Cc1nc(C)c(CC(=O)NC[C@H](C)[N@@H+](C)Cc2n[nH]c(=O)[n-]2)c(=O)[nH]1 ZINC001485384116 1126695613 /nfs/dbraw/zinc/69/56/13/1126695613.db2.gz RCFHMLULPKMSHT-QMMMGPOBSA-N 0 2 349.395 -0.198 20 0 EBADLN C[C@]1(C(=O)NCC2=CC[N@H+](Cc3n[nH]c(=O)[n-]3)CC2)CCNC(=O)C1 ZINC001486508600 1127193877 /nfs/dbraw/zinc/19/38/77/1127193877.db2.gz BNDQWJWQQNTRNY-INIZCTEOSA-N 0 2 348.407 -0.325 20 0 EBADLN C[C@]1(C(=O)NCC2=CC[N@@H+](Cc3n[nH]c(=O)[n-]3)CC2)CCNC(=O)C1 ZINC001486508600 1127193882 /nfs/dbraw/zinc/19/38/82/1127193882.db2.gz BNDQWJWQQNTRNY-INIZCTEOSA-N 0 2 348.407 -0.325 20 0 EBADLN C[C@@H](CNC(=O)c1nnn(C)n1)N(C)C(=O)C(F)C(F)(F)F ZINC001486962327 1127348823 /nfs/dbraw/zinc/34/88/23/1127348823.db2.gz YYKLVWQDLHSAGL-NTSWFWBYSA-N 0 2 326.254 -0.313 20 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326.353 -0.547 20 0 EBADLN COC(C)(C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001143330687 830150370 /nfs/dbraw/zinc/15/03/70/830150370.db2.gz VFPMWJJTUNCHQP-JTQLQIEISA-N 0 2 326.353 -0.547 20 0 EBADLN C[C@@H]1CCc2[nH]nc(C(=O)NCCNCc3nc(=O)n(C)[nH]3)c2C1 ZINC001146261596 830188160 /nfs/dbraw/zinc/18/81/60/830188160.db2.gz BDWQIDFLWKUNFS-SECBINFHSA-N 0 2 333.396 -0.524 20 0 EBADLN C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC001211384088 837434504 /nfs/dbraw/zinc/43/45/04/837434504.db2.gz JIHRPOHFVSFMPD-OPRDCNLKSA-N 0 2 345.425 -0.873 20 0 EBADLN C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1C ZINC001211384087 837434668 /nfs/dbraw/zinc/43/46/68/837434668.db2.gz JIHRPOHFVSFMPD-KXUCPTDWSA-N 0 2 345.425 -0.873 20 0 EBADLN Cn1ccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC001147013589 830266997 /nfs/dbraw/zinc/26/69/97/830266997.db2.gz HLPORIFNUMLKDI-LBPRGKRZSA-N 0 2 333.348 -0.320 20 0 EBADLN Cn1ccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC001147013589 830267003 /nfs/dbraw/zinc/26/70/03/830267003.db2.gz HLPORIFNUMLKDI-LBPRGKRZSA-N 0 2 333.348 -0.320 20 0 EBADLN O=C(Cn1c(=O)[n-][nH]c1=O)NCC[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001149140852 830601028 /nfs/dbraw/zinc/60/10/28/830601028.db2.gz HVGHUCRXSURNRL-UHFFFAOYSA-N 0 2 349.307 -0.762 20 0 EBADLN CC(=O)CCCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[nH]2)CCCO1 ZINC001149154255 830605252 /nfs/dbraw/zinc/60/52/52/830605252.db2.gz SXKCGNPUZDQBQY-LBPRGKRZSA-N 0 2 339.396 -0.023 20 0 EBADLN CC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001152781483 831190039 /nfs/dbraw/zinc/19/00/39/831190039.db2.gz FNQJVEPRBBYNLD-MRVPVSSYSA-N 0 2 337.384 -0.514 20 0 EBADLN CC[N@@H+](Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001152781483 831190046 /nfs/dbraw/zinc/19/00/46/831190046.db2.gz FNQJVEPRBBYNLD-MRVPVSSYSA-N 0 2 337.384 -0.514 20 0 EBADLN C[C@H]1[C@H](Nc2ccc(Cn3cncn3)c[nH+]2)C(=O)N1S(=O)(=O)[O-] ZINC001157072516 831531157 /nfs/dbraw/zinc/53/11/57/831531157.db2.gz GLCVQFZXWLYSMV-KWQFWETISA-N 0 2 338.349 -0.465 20 0 EBADLN CCOC(=O)C1CO[C@H](C)C1=Nc1ccc(S(N)(=O)=O)nn1 ZINC001157385224 831562985 /nfs/dbraw/zinc/56/29/85/831562985.db2.gz FIUWPWHIJWDCIX-SSDOTTSWSA-N 0 2 328.350 -0.228 20 0 EBADLN Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1([NH3+])CC1)CC2 ZINC001159074711 831706622 /nfs/dbraw/zinc/70/66/22/831706622.db2.gz JFJHICFYSFIYFN-UHFFFAOYSA-N 0 2 346.435 -0.816 20 0 EBADLN CCNC(=O)c1cc(Cl)nc(Nc2c(O)[nH]c(=O)[nH]c2=S)n1 ZINC001160858073 831896728 /nfs/dbraw/zinc/89/67/28/831896728.db2.gz MKZALYAAUFRJHS-ZCFIWIBFSA-N 0 2 342.768 -0.173 20 0 EBADLN COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCCc2n[nH]c(=O)[nH]2)C1 ZINC001160880597 831903158 /nfs/dbraw/zinc/90/31/58/831903158.db2.gz YQNPQRCPXUQYAG-VHSXEESVSA-N 0 2 326.353 -0.083 20 0 EBADLN O=C(NCCC[NH2+]Cc1noc(C2CCC2)n1)c1n[nH]c(=O)[n-]c1=O ZINC001161863494 831998513 /nfs/dbraw/zinc/99/85/13/831998513.db2.gz KIOZPUCEDNYSHJ-UHFFFAOYSA-N 0 2 349.351 -0.157 20 0 EBADLN CN(CCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)C1(C)CC1 ZINC001351831742 832284076 /nfs/dbraw/zinc/28/40/76/832284076.db2.gz UDAXKLGIUCPFLD-UHFFFAOYSA-N 0 2 346.391 -0.164 20 0 EBADLN COC(=O)[C@@H]1C[C@@H](Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)C[NH2+]1 ZINC001169132414 832450905 /nfs/dbraw/zinc/45/09/05/832450905.db2.gz LSILXPDOWFPVNH-SCZZXKLOSA-N 0 2 325.346 -0.566 20 0 EBADLN COCCC(=O)N1CC[C@@H]2OCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2C1 ZINC001176877251 832699422 /nfs/dbraw/zinc/69/94/22/832699422.db2.gz VCVOMALDNMLHKH-QWRGUYRKSA-N 0 2 325.369 -0.652 20 0 EBADLN COCCC(=O)N1CC[C@H]2OCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2C1 ZINC001176877252 832699459 /nfs/dbraw/zinc/69/94/59/832699459.db2.gz VCVOMALDNMLHKH-WDEREUQCSA-N 0 2 325.369 -0.652 20 0 EBADLN CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001177041671 832741070 /nfs/dbraw/zinc/74/10/70/832741070.db2.gz JWQNZEHYPVPYCJ-VXGBXAGGSA-N 0 2 339.396 -0.209 20 0 EBADLN CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001177041671 832741071 /nfs/dbraw/zinc/74/10/71/832741071.db2.gz JWQNZEHYPVPYCJ-VXGBXAGGSA-N 0 2 339.396 -0.209 20 0 EBADLN C[C@@H]1OCC[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001178964965 832935775 /nfs/dbraw/zinc/93/57/75/832935775.db2.gz NAGFJHBRSPIMGY-DLOVCJGASA-N 0 2 338.364 -0.547 20 0 EBADLN C[C@@H]1OCC[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001178964965 832935778 /nfs/dbraw/zinc/93/57/78/832935778.db2.gz NAGFJHBRSPIMGY-DLOVCJGASA-N 0 2 338.364 -0.547 20 0 EBADLN CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cnn[n-]2)[C@H](OC)C1 ZINC001212502414 837703216 /nfs/dbraw/zinc/70/32/16/837703216.db2.gz CVJLMSLQLINREY-RAIGVLPGSA-N 0 2 338.412 -0.462 20 0 EBADLN CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)c2cnn[n-]2)[C@H](OC)C1 ZINC001212502414 837703220 /nfs/dbraw/zinc/70/32/20/837703220.db2.gz CVJLMSLQLINREY-RAIGVLPGSA-N 0 2 338.412 -0.462 20 0 EBADLN O=C(COCC(F)F)N1CC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188651376 834070435 /nfs/dbraw/zinc/07/04/35/834070435.db2.gz ACBDQTDGHJUYGQ-DTWKUNHWSA-N 0 2 331.323 -0.175 20 0 EBADLN O=C(COCC(F)F)N1CC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188651376 834070443 /nfs/dbraw/zinc/07/04/43/834070443.db2.gz ACBDQTDGHJUYGQ-DTWKUNHWSA-N 0 2 331.323 -0.175 20 0 EBADLN O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)c1ccccc1S(=O)(=O)[O-] ZINC001189698751 834179287 /nfs/dbraw/zinc/17/92/87/834179287.db2.gz JOKAOGJRYSVPNP-SNVBAGLBSA-N 0 2 325.346 -0.010 20 0 EBADLN O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)c1ccccc1S(=O)(=O)[O-] ZINC001189698751 834179292 /nfs/dbraw/zinc/17/92/92/834179292.db2.gz JOKAOGJRYSVPNP-SNVBAGLBSA-N 0 2 325.346 -0.010 20 0 EBADLN CO[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1OC)C(C)C ZINC001213382828 837761567 /nfs/dbraw/zinc/76/15/67/837761567.db2.gz PBKUXVIXAHWCHQ-CKYFFXLPSA-N 0 2 327.385 -0.503 20 0 EBADLN CN(C[C@@H](O)CO)C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O ZINC001191017060 834398741 /nfs/dbraw/zinc/39/87/41/834398741.db2.gz GYNOMILXEWEDJS-ZCFIWIBFSA-N 0 2 338.769 -0.882 20 0 EBADLN Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C2)o1 ZINC001193130238 834799425 /nfs/dbraw/zinc/79/94/25/834799425.db2.gz IKLJSFNLUHDWEO-BHNWBGBOSA-N 0 2 326.250 -0.060 20 0 EBADLN Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)o1 ZINC001193130238 834799431 /nfs/dbraw/zinc/79/94/31/834799431.db2.gz IKLJSFNLUHDWEO-BHNWBGBOSA-N 0 2 326.250 -0.060 20 0 EBADLN CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193132032 834800201 /nfs/dbraw/zinc/80/02/01/834800201.db2.gz XGWHKPUTTUQVTO-MRTMQBJTSA-N 0 2 329.294 -0.426 20 0 EBADLN CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001193132032 834800215 /nfs/dbraw/zinc/80/02/15/834800215.db2.gz XGWHKPUTTUQVTO-MRTMQBJTSA-N 0 2 329.294 -0.426 20 0 EBADLN CCOC(=O)[C@@H](NS(=O)(=O)c1nccn1C)c1cnccn1 ZINC001193631769 834919651 /nfs/dbraw/zinc/91/96/51/834919651.db2.gz WJAOHIVSNIRTOJ-JTQLQIEISA-N 0 2 325.350 -0.207 20 0 EBADLN COC[C@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1OC ZINC001213648614 837828951 /nfs/dbraw/zinc/82/89/51/837828951.db2.gz CKTULGQAQKRSAP-GMTAPVOTSA-N 0 2 327.385 -0.502 20 0 EBADLN COC(=O)c1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2N)[nH]n1 ZINC001194288934 835073882 /nfs/dbraw/zinc/07/38/82/835073882.db2.gz QWXOGEKFMVQLFW-UHFFFAOYSA-N 0 2 339.333 -0.322 20 0 EBADLN COC(=O)c1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2N)n[nH]1 ZINC001194288934 835073892 /nfs/dbraw/zinc/07/38/92/835073892.db2.gz QWXOGEKFMVQLFW-UHFFFAOYSA-N 0 2 339.333 -0.322 20 0 EBADLN O=C(CCc1ccc(F)cc1)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001194451203 835107790 /nfs/dbraw/zinc/10/77/90/835107790.db2.gz OFCYIAZXVSZXPX-CHWSQXEVSA-N 0 2 349.366 -0.057 20 0 EBADLN C[C@@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)n1cc[nH+]c1 ZINC001196498973 835424497 /nfs/dbraw/zinc/42/44/97/835424497.db2.gz JCDGQSJCARMJCN-HBNTYKKESA-N 0 2 335.368 -0.981 20 0 EBADLN O=C(CCCn1cncn1)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001197714220 835600882 /nfs/dbraw/zinc/60/08/82/835600882.db2.gz UOZAWZSEPHNQNV-UHFFFAOYSA-N 0 2 334.384 -0.384 20 0 EBADLN CNC(=O)C1(C(=O)N2CCCN(Cc3n[nH]c(=O)[nH]3)CC2)CCC1 ZINC001197928381 835623419 /nfs/dbraw/zinc/62/34/19/835623419.db2.gz GLZNIGGOCZFGLQ-UHFFFAOYSA-N 0 2 336.396 -0.539 20 0 EBADLN O=C(N[C@H]1SC(=O)NC1=O)c1cc(N2CCCNC2=O)ncn1 ZINC001199425797 835809511 /nfs/dbraw/zinc/80/95/11/835809511.db2.gz QZQUVZBZUSETKX-JTQLQIEISA-N 0 2 336.333 -0.565 20 0 EBADLN CC[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CCNC1=O ZINC001207609739 836827749 /nfs/dbraw/zinc/82/77/49/836827749.db2.gz IMMCJCYFIHOEEE-FCHSOHFDSA-N 0 2 336.396 -0.637 20 0 EBADLN CC[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CCNC1=O ZINC001207609739 836827759 /nfs/dbraw/zinc/82/77/59/836827759.db2.gz IMMCJCYFIHOEEE-FCHSOHFDSA-N 0 2 336.396 -0.637 20 0 EBADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCCCNC(N)=O ZINC001207893863 836895677 /nfs/dbraw/zinc/89/56/77/836895677.db2.gz WAEDDDOWVHZIGE-NXEZZACHSA-N 0 2 339.400 -0.715 20 0 EBADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCCCNC(N)=O ZINC001207893863 836895681 /nfs/dbraw/zinc/89/56/81/836895681.db2.gz WAEDDDOWVHZIGE-NXEZZACHSA-N 0 2 339.400 -0.715 20 0 EBADLN CO[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC001208149089 836951362 /nfs/dbraw/zinc/95/13/62/836951362.db2.gz CTRBMCLDOVVMBA-IRUJWGPZSA-N 0 2 349.395 -0.432 20 0 EBADLN CO[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC001208149089 836951371 /nfs/dbraw/zinc/95/13/71/836951371.db2.gz CTRBMCLDOVVMBA-IRUJWGPZSA-N 0 2 349.395 -0.432 20 0 EBADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1(C(=O)N(C)C)CC1 ZINC001210205900 837255077 /nfs/dbraw/zinc/25/50/77/837255077.db2.gz DAHNUAGPZCSOGW-NXEZZACHSA-N 0 2 336.396 -0.685 20 0 EBADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1(C(=O)N(C)C)CC1 ZINC001210205900 837255084 /nfs/dbraw/zinc/25/50/84/837255084.db2.gz DAHNUAGPZCSOGW-NXEZZACHSA-N 0 2 336.396 -0.685 20 0 EBADLN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)NCc1n[nH]c(=O)[nH]1 ZINC001319094857 838071075 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ZINC000958207904 722326531 /nfs/dbraw/zinc/32/65/31/722326531.db2.gz ZJNIRKHANZKCDV-CMPLNLGQSA-N 0 2 348.411 -0.721 20 0 EBADLN CC(C)c1nnc(C[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3cnn[n-]3)C2)n1C ZINC000958207904 722326533 /nfs/dbraw/zinc/32/65/33/722326533.db2.gz ZJNIRKHANZKCDV-CMPLNLGQSA-N 0 2 348.411 -0.721 20 0 EBADLN Cc1cncc(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958264904 722335131 /nfs/dbraw/zinc/33/51/31/722335131.db2.gz YRKOEBNDMCOHNM-VXGBXAGGSA-N 0 2 346.391 -0.255 20 0 EBADLN Cc1cncc(C)c1C(=O)NC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958264904 722335132 /nfs/dbraw/zinc/33/51/32/722335132.db2.gz YRKOEBNDMCOHNM-VXGBXAGGSA-N 0 2 346.391 -0.255 20 0 EBADLN Cc1nn(C)c(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958297554 722339985 /nfs/dbraw/zinc/33/99/85/722339985.db2.gz RIMFLJVALHMNLD-GHMZBOCLSA-N 0 2 349.395 -0.917 20 0 EBADLN Cc1nn(C)c(C)c1C(=O)NC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958297554 722339986 /nfs/dbraw/zinc/33/99/86/722339986.db2.gz RIMFLJVALHMNLD-GHMZBOCLSA-N 0 2 349.395 -0.917 20 0 EBADLN O=C(NC[C@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc[nH]c1C1CC1 ZINC000958356009 722351952 /nfs/dbraw/zinc/35/19/52/722351952.db2.gz OOKSQGNJPOGHAK-JQWIXIFHSA-N 0 2 346.391 -0.062 20 0 EBADLN O=C(NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc[nH]c1C1CC1 ZINC000958356009 722351953 /nfs/dbraw/zinc/35/19/53/722351953.db2.gz OOKSQGNJPOGHAK-JQWIXIFHSA-N 0 2 346.391 -0.062 20 0 EBADLN O=C(NC[C@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1occc1Cl ZINC000958377988 722355135 /nfs/dbraw/zinc/35/51/35/722355135.db2.gz GOFQWQSJQKUFCM-CBAPKCEASA-N 0 2 341.755 -0.021 20 0 EBADLN O=C(NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1occc1Cl ZINC000958377988 722355136 /nfs/dbraw/zinc/35/51/36/722355136.db2.gz GOFQWQSJQKUFCM-CBAPKCEASA-N 0 2 341.755 -0.021 20 0 EBADLN Cc1c(C(=O)NC[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ccn1C ZINC000958391003 722358473 /nfs/dbraw/zinc/35/84/73/722358473.db2.gz 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-0.490 20 0 EBADLN Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)nc(C)n1 ZINC000958485679 722376356 /nfs/dbraw/zinc/37/63/56/722376356.db2.gz PBRGGTDMKOQXFE-CMPLNLGQSA-N 0 2 347.379 -0.860 20 0 EBADLN Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)nc(C)n1 ZINC000958485679 722376358 /nfs/dbraw/zinc/37/63/58/722376358.db2.gz PBRGGTDMKOQXFE-CMPLNLGQSA-N 0 2 347.379 -0.860 20 0 EBADLN CN(C)c1cc(C[N@H+]2C[C@@H](CNC(=O)c3ncn[nH]3)[C@H](O)C2)ccn1 ZINC000958500491 722380357 /nfs/dbraw/zinc/38/03/57/722380357.db2.gz UXTLZCHNCNUHAG-CHWSQXEVSA-N 0 2 345.407 -0.512 20 0 EBADLN Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ccn1 ZINC000958506561 722382474 /nfs/dbraw/zinc/38/24/74/722382474.db2.gz FPUSZYAKNVUQJA-NWDGAFQWSA-N 0 2 332.364 -0.564 20 0 EBADLN Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ccn1 ZINC000958506561 722382475 /nfs/dbraw/zinc/38/24/75/722382475.db2.gz FPUSZYAKNVUQJA-NWDGAFQWSA-N 0 2 332.364 -0.564 20 0 EBADLN CC(C)n1cc(C(=O)NC[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cn1 ZINC000958583350 722395510 /nfs/dbraw/zinc/39/55/10/722395510.db2.gz HEQWYNXHQWMUHO-ZYHUDNBSSA-N 0 2 349.395 -0.490 20 0 EBADLN CC(C)n1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cn1 ZINC000958583350 722395511 /nfs/dbraw/zinc/39/55/11/722395511.db2.gz HEQWYNXHQWMUHO-ZYHUDNBSSA-N 0 2 349.395 -0.490 20 0 EBADLN O=C(NC[C@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc2c([nH]1)CCC2 ZINC000958584371 722395867 /nfs/dbraw/zinc/39/58/67/722395867.db2.gz PQYXVGCRTZAIIJ-GWCFXTLKSA-N 0 2 346.391 -0.450 20 0 EBADLN O=C(NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc2c([nH]1)CCC2 ZINC000958584371 722395868 /nfs/dbraw/zinc/39/58/68/722395868.db2.gz PQYXVGCRTZAIIJ-GWCFXTLKSA-N 0 2 346.391 -0.450 20 0 EBADLN O=C(NC[C@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc(F)s1 ZINC000958740702 722424000 /nfs/dbraw/zinc/42/40/00/722424000.db2.gz TYNUQAFEQIUMRO-YUMQZZPRSA-N 0 2 341.368 -0.066 20 0 EBADLN O=C(NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc(F)s1 ZINC000958740702 722424001 /nfs/dbraw/zinc/42/40/01/722424001.db2.gz TYNUQAFEQIUMRO-YUMQZZPRSA-N 0 2 341.368 -0.066 20 0 EBADLN C[C@@H](NC(=O)c1ncc[nH]1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000959132312 722689140 /nfs/dbraw/zinc/68/91/40/722689140.db2.gz ZUNYEYHBENWSCK-NXEZZACHSA-N 0 2 333.352 -0.626 20 0 EBADLN C[C@H](NC(=O)c1nnc[nH]1)[C@H]1CCN(C(=O)CC2OCCCO2)C1 ZINC000959131920 722689155 /nfs/dbraw/zinc/68/91/55/722689155.db2.gz HIXKUNFPTLNNEG-QWRGUYRKSA-N 0 2 337.380 -0.075 20 0 EBADLN C[C@H](NC(=O)c1ncn[nH]1)[C@H]1CCN(C(=O)CC2OCCCO2)C1 ZINC000959131920 722689156 /nfs/dbraw/zinc/68/91/56/722689156.db2.gz HIXKUNFPTLNNEG-QWRGUYRKSA-N 0 2 337.380 -0.075 20 0 EBADLN C[C@H](NC(=O)c1nc[nH]n1)[C@H]1CCN(C(=O)CC2OCCCO2)C1 ZINC000959131920 722689158 /nfs/dbraw/zinc/68/91/58/722689158.db2.gz HIXKUNFPTLNNEG-QWRGUYRKSA-N 0 2 337.380 -0.075 20 0 EBADLN CC(=O)NC[C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000959544955 722738447 /nfs/dbraw/zinc/73/84/47/722738447.db2.gz AFFLMRKBHNJBEO-MWLCHTKSSA-N 0 2 332.364 -0.698 20 0 EBADLN CCc1c[nH]c(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC000960329857 722819360 /nfs/dbraw/zinc/81/93/60/722819360.db2.gz QTCXBFLDVLBFPM-MSRIBSCDSA-N 0 2 331.380 -0.415 20 0 EBADLN CCc1c[nH]c(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC000960329857 722819362 /nfs/dbraw/zinc/81/93/62/722819362.db2.gz QTCXBFLDVLBFPM-MSRIBSCDSA-N 0 2 331.380 -0.415 20 0 EBADLN COCc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000960656420 722849702 /nfs/dbraw/zinc/84/97/02/722849702.db2.gz QBPWYVVSTJFVER-WOFXILAISA-N 0 2 347.379 -0.750 20 0 EBADLN COCc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000960656420 722849705 /nfs/dbraw/zinc/84/97/05/722849705.db2.gz QBPWYVVSTJFVER-WOFXILAISA-N 0 2 347.379 -0.750 20 0 EBADLN CN(Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCCN1C(=O)c1cn(C)ccc1=O ZINC000960747085 722860025 /nfs/dbraw/zinc/86/00/25/722860025.db2.gz ZJIILMGPYSZIJV-NSHDSACASA-N 0 2 346.391 -0.054 20 0 EBADLN COc1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4n[nH]c(=O)[n-]4)C[C@H]32)nc1 ZINC000960959704 722882206 /nfs/dbraw/zinc/88/22/06/722882206.db2.gz HBAOYLFKCNVWGU-JZYVYDRUSA-N 0 2 331.336 -0.831 20 0 EBADLN COc1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4n[nH]c(=O)[n-]4)C[C@H]32)nc1 ZINC000960959704 722882207 /nfs/dbraw/zinc/88/22/07/722882207.db2.gz HBAOYLFKCNVWGU-JZYVYDRUSA-N 0 2 331.336 -0.831 20 0 EBADLN O=C(N[C@@H]1[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cc2ncccn2n1 ZINC000962108566 723173590 /nfs/dbraw/zinc/17/35/90/723173590.db2.gz KDIRYXRMENIMHO-WOFXILAISA-N 0 2 340.347 -0.587 20 0 EBADLN O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cc2ncccn2n1 ZINC000962108566 723173591 /nfs/dbraw/zinc/17/35/91/723173591.db2.gz KDIRYXRMENIMHO-WOFXILAISA-N 0 2 340.347 -0.587 20 0 EBADLN NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC000963192655 723390778 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