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/nfs/dbraw/zinc/75/50/10/887755010.db2.gz YZOKFKATLVSGIF-UHFFFAOYSA-N 0 1 292.303 -1.636 20 0 CAADMN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(CCn2cncn2)C1 ZINC001373621094 887755229 /nfs/dbraw/zinc/75/52/29/887755229.db2.gz WDKMTNISBQFQDS-CMPLNLGQSA-N 0 1 294.359 -1.007 20 0 CAADMN Cc1nnc(CC(=O)N(C)CCNC(=O)c2ncn[nH]2)o1 ZINC001373619282 887755461 /nfs/dbraw/zinc/75/54/61/887755461.db2.gz WRJZZRDYDJFQAA-UHFFFAOYSA-N 0 1 293.287 -1.073 20 0 CAADMN Cc1nnc(CC(=O)N(C)CCNC(=O)c2nc[nH]n2)o1 ZINC001373619282 887755472 /nfs/dbraw/zinc/75/54/72/887755472.db2.gz WRJZZRDYDJFQAA-UHFFFAOYSA-N 0 1 293.287 -1.073 20 0 CAADMN COC[C@H](O)CN1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001373606717 887755760 /nfs/dbraw/zinc/75/57/60/887755760.db2.gz XOVCMMZXSIPCLP-DTWKUNHWSA-N 0 1 284.320 -1.979 20 0 CAADMN CN(CCNC(=O)c1ncn[nH]1)C(=O)Cc1ccn(C)n1 ZINC001373617183 887756056 /nfs/dbraw/zinc/75/60/56/887756056.db2.gz BHFCJWUMAIWOOR-UHFFFAOYSA-N 0 1 291.315 -1.031 20 0 CAADMN CN(CCNC(=O)c1nc[nH]n1)C(=O)Cc1ccn(C)n1 ZINC001373617183 887756073 /nfs/dbraw/zinc/75/60/73/887756073.db2.gz BHFCJWUMAIWOOR-UHFFFAOYSA-N 0 1 291.315 -1.031 20 0 CAADMN CN(CCNC(=O)[C@H]1CCCN1C)C(=O)c1nnn(C)n1 ZINC001373604286 887756832 /nfs/dbraw/zinc/75/68/32/887756832.db2.gz OMTNDRJWMRADTC-SECBINFHSA-N 0 1 295.347 -1.508 20 0 CAADMN CNS(=O)(=O)CC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001373687273 887759439 /nfs/dbraw/zinc/75/94/39/887759439.db2.gz CIFVCHYGCMIZKJ-SECBINFHSA-N 0 1 279.362 -1.939 20 0 CAADMN CC(=O)NCC(=O)N(C)[C@H]1CCN(CCn2cncn2)C1 ZINC001373660763 887759557 /nfs/dbraw/zinc/75/95/57/887759557.db2.gz IQNGQLMPQKULOU-LBPRGKRZSA-N 0 1 294.359 -1.053 20 0 CAADMN CC[C@@H](C(N)=O)N1CC[C@@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001373687751 887761638 /nfs/dbraw/zinc/76/16/38/887761638.db2.gz IDQNQIZDOKPLQO-ZJUUUORDSA-N 0 1 299.375 -1.159 20 0 CAADMN CNC(=O)CN1CC[C@@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001373641488 887762003 /nfs/dbraw/zinc/76/20/03/887762003.db2.gz UUDOICPBQKKIIR-SNVBAGLBSA-N 0 1 280.332 -1.326 20 0 CAADMN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001373687836 887762364 /nfs/dbraw/zinc/76/23/64/887762364.db2.gz PAGGBYXAFZWOAA-QWRGUYRKSA-N 0 1 297.359 -1.031 20 0 CAADMN CC[C@@H](C(N)=O)N1CC[C@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001373687749 887762967 /nfs/dbraw/zinc/76/29/67/887762967.db2.gz IDQNQIZDOKPLQO-UWVGGRQHSA-N 0 1 299.375 -1.159 20 0 CAADMN CN(C(=O)c1ccn[nH]1)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001373657701 887763245 /nfs/dbraw/zinc/76/32/45/887763245.db2.gz QHBDDOAOWNJFIM-MRVPVSSYSA-N 0 1 294.315 -1.249 20 0 CAADMN CCN(CCNC(=O)Cn1cnnn1)C(=O)c1ccn[nH]1 ZINC001373750985 887767271 /nfs/dbraw/zinc/76/72/71/887767271.db2.gz SKTYIRGXPFJJTN-UHFFFAOYSA-N 0 1 292.303 -1.325 20 0 CAADMN Cc1nonc1C(=O)N(C)CCNC(=O)Cc1nnc[nH]1 ZINC001373709716 887767622 /nfs/dbraw/zinc/76/76/22/887767622.db2.gz GWEVUYIIJOHEGU-UHFFFAOYSA-N 0 1 293.287 -1.073 20 0 CAADMN CN(CCNC(=O)Cc1nnc[nH]1)C(=O)Cn1ncnn1 ZINC001373710876 887768328 /nfs/dbraw/zinc/76/83/28/887768328.db2.gz NICNQHOJIQAXHL-UHFFFAOYSA-N 0 1 293.291 -2.392 20 0 CAADMN CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCc1cnnn1C ZINC001373747247 887768408 /nfs/dbraw/zinc/76/84/08/887768408.db2.gz SPLPDHZOOSLBKK-WCBMZHEXSA-N 0 1 296.331 -1.092 20 0 CAADMN C[C@@H](CNCc1nnnn1C)CNC(=O)[C@@H]1COCCO1 ZINC001373987601 887769442 /nfs/dbraw/zinc/76/94/42/887769442.db2.gz KBRJAORMMKEKNJ-UWVGGRQHSA-N 0 1 298.347 -1.533 20 0 CAADMN C[C@H](CNCc1nnnn1C)CNC(=O)[C@@H]1COCCO1 ZINC001373987603 887770143 /nfs/dbraw/zinc/77/01/43/887770143.db2.gz KBRJAORMMKEKNJ-ZJUUUORDSA-N 0 1 298.347 -1.533 20 0 CAADMN C[C@@H](CNCc1ncnn1C)CNC(=O)Cn1cnnn1 ZINC001373992433 887772668 /nfs/dbraw/zinc/77/26/68/887772668.db2.gz WSQYNCSWKIGZHU-VIFPVBQESA-N 0 1 293.335 -1.656 20 0 CAADMN C[C@H](CNCc1cnon1)CNC(=O)CS(C)(=O)=O ZINC001373998659 887772853 /nfs/dbraw/zinc/77/28/53/887772853.db2.gz QVNJKNOKKYTLNG-MRVPVSSYSA-N 0 1 290.345 -1.044 20 0 CAADMN C[C@@H](CNCc1nnnn1C)CNC(=O)[C@H](C)NC(N)=O ZINC001374017242 887773009 /nfs/dbraw/zinc/77/30/09/887773009.db2.gz QAPMIRLEOJYEBO-YUMQZZPRSA-N 0 1 298.351 -1.891 20 0 CAADMN CNC(=O)NCC(=O)NC[C@H](C)CNCc1cnn(C)n1 ZINC001374027212 887773334 /nfs/dbraw/zinc/77/33/34/887773334.db2.gz FEQRRGBDSMIMAG-SECBINFHSA-N 0 1 297.363 -1.414 20 0 CAADMN C[C@@H](CNCc1nnnn1C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001374060146 887773361 /nfs/dbraw/zinc/77/33/61/887773361.db2.gz ZIRWGVFHGDTIBK-UXCLJVHYSA-N 0 1 294.359 -1.056 20 0 CAADMN C[C@@H](CNCc1nnnn1C)CNC(=O)[C@@H](C)CC(N)=O ZINC001374045704 887773705 /nfs/dbraw/zinc/77/37/05/887773705.db2.gz DUAWVMFJYJMOCY-IUCAKERBSA-N 0 1 297.363 -1.437 20 0 CAADMN C[C@H](CNCc1nnnn1C)CNC(=O)[C@H](C)NC(N)=O ZINC001374017235 887773789 /nfs/dbraw/zinc/77/37/89/887773789.db2.gz QAPMIRLEOJYEBO-SFYZADRCSA-N 0 1 298.351 -1.891 20 0 CAADMN C[C@H](CNCc1nnnn1C)CNC(=O)[C@H]1COC(=O)N1 ZINC001374010801 887773927 /nfs/dbraw/zinc/77/39/27/887773927.db2.gz DXLLHKHYVWCTOG-HTQZYQBOSA-N 0 1 297.319 -1.840 20 0 CAADMN C[C@@H](CNCc1nnnn1C)CNC(=O)[C@H]1COC(=O)N1 ZINC001374010803 887774060 /nfs/dbraw/zinc/77/40/60/887774060.db2.gz DXLLHKHYVWCTOG-JGVFFNPUSA-N 0 1 297.319 -1.840 20 0 CAADMN C[C@@H](CNCc1cnon1)CNC(=O)CS(C)(=O)=O ZINC001373998690 887775058 /nfs/dbraw/zinc/77/50/58/887775058.db2.gz QVNJKNOKKYTLNG-QMMMGPOBSA-N 0 1 290.345 -1.044 20 0 CAADMN CNC(=O)NCC(=O)NC[C@H](C)CNCc1cnon1 ZINC001374031954 887775291 /nfs/dbraw/zinc/77/52/91/887775291.db2.gz PQCDMWKKQCBGBA-MRVPVSSYSA-N 0 1 284.320 -1.160 20 0 CAADMN O=C(CCc1nc[nH]n1)NC[C@H]1CN(CCO)CCO1 ZINC001374121601 887776339 /nfs/dbraw/zinc/77/63/39/887776339.db2.gz GSDQIQFLGFZOQR-JTQLQIEISA-N 0 1 283.332 -1.453 20 0 CAADMN COC[C@H](O)CN1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001374132181 887776693 /nfs/dbraw/zinc/77/66/93/887776693.db2.gz PSHJOMHAYZJHCQ-ZJUUUORDSA-N 0 1 299.331 -1.757 20 0 CAADMN COC[C@H](O)CN1CCO[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001374137503 887778610 /nfs/dbraw/zinc/77/86/10/887778610.db2.gz XGSTZBMPGAFIGH-NXEZZACHSA-N 0 1 299.331 -1.757 20 0 CAADMN COC[C@H](O)CN1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001374137503 887778617 /nfs/dbraw/zinc/77/86/17/887778617.db2.gz XGSTZBMPGAFIGH-NXEZZACHSA-N 0 1 299.331 -1.757 20 0 CAADMN COC[C@@H](O)CN1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001374132179 887778734 /nfs/dbraw/zinc/77/87/34/887778734.db2.gz PSHJOMHAYZJHCQ-VHSXEESVSA-N 0 1 299.331 -1.757 20 0 CAADMN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCc1nccn1C ZINC001374577381 887794724 /nfs/dbraw/zinc/79/47/24/887794724.db2.gz NNASJQDNAGNBEX-GXSJLCMTSA-N 0 1 297.359 -1.489 20 0 CAADMN CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCc1ccn(C)n1 ZINC001374574945 887795496 /nfs/dbraw/zinc/79/54/96/887795496.db2.gz DVEBZTWQIOOUTK-BXKDBHETSA-N 0 1 297.359 -1.489 20 0 CAADMN CC[C@@H](C)C(=O)NC[C@@H](O)CNCc1nc(=O)n(C)[nH]1 ZINC001374584057 887798860 /nfs/dbraw/zinc/79/88/60/887798860.db2.gz FZYVIDNQTUFLJT-BDAKNGLRSA-N 0 1 285.348 -1.279 20 0 CAADMN CCn1nncc1CNC[C@@H](O)CNC(=O)[C@H](C)OC ZINC001374582572 887800281 /nfs/dbraw/zinc/80/02/81/887800281.db2.gz HYUPRNXROAPFCS-GXSJLCMTSA-N 0 1 285.348 -1.100 20 0 CAADMN Cn1[nH]c(CNC[C@@H](O)CNC(=O)[C@@H]2CCOC2)nc1=O ZINC001374586845 887800846 /nfs/dbraw/zinc/80/08/46/887800846.db2.gz ZRINXKIBGYDFPT-RKDXNWHRSA-N 0 1 299.331 -2.288 20 0 CAADMN Cn1nncc1CNC[C@H](O)CNC(=O)c1cnns1 ZINC001374587951 887805222 /nfs/dbraw/zinc/80/52/22/887805222.db2.gz QXPMWEPGJKVYOV-QMMMGPOBSA-N 0 1 297.344 -1.453 20 0 CAADMN CCC(=O)NCC(=O)NC[C@H](O)CNCc1ccn(C)n1 ZINC001374591703 887806243 /nfs/dbraw/zinc/80/62/43/887806243.db2.gz RYHNQDJBFYQJEX-LLVKDONJSA-N 0 1 297.359 -1.487 20 0 CAADMN Cn1nncc1CNC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001374605769 887811839 /nfs/dbraw/zinc/81/18/39/887811839.db2.gz ZXOKGAGNMINJAU-DTWKUNHWSA-N 0 1 298.303 -2.510 20 0 CAADMN Cn1nncc1CNC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001374605755 887811963 /nfs/dbraw/zinc/81/19/63/887811963.db2.gz ZXOKGAGNMINJAU-BDAKNGLRSA-N 0 1 298.303 -2.510 20 0 CAADMN CCC(=O)NCC(=O)NC1CN(C(=O)Cc2ccn[nH]2)C1 ZINC001374610480 887813546 /nfs/dbraw/zinc/81/35/46/887813546.db2.gz ZZGQFZCNCIWXKB-UHFFFAOYSA-N 0 1 293.327 -1.195 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282.300 -1.367 20 0 CAADMN CCn1cc(C(=O)NC[C@H](CO)N[C@@H]2CCNC2=O)cn1 ZINC001382190657 888294760 /nfs/dbraw/zinc/29/47/60/888294760.db2.gz HEJNHPQKAPCQAJ-GHMZBOCLSA-N 0 1 295.343 -1.528 20 0 CAADMN O=C(NC[C@@H](CO)N[C@H]1CCCNC1=O)c1ccon1 ZINC001382187175 888294800 /nfs/dbraw/zinc/29/48/00/888294800.db2.gz JKKGQFYTUFXQHO-IUCAKERBSA-N 0 1 282.300 -1.367 20 0 CAADMN CNC(=O)CN[C@H](CO)CNC(=O)c1cnn(C)c1N ZINC001382191402 888295420 /nfs/dbraw/zinc/29/54/20/888295420.db2.gz KGUGXXFWTHYPPI-ZETCQYMHSA-N 0 1 284.320 -2.571 20 0 CAADMN Cc1nc(C)c(C(=O)NC[C@H](CO)N[C@H](C)C(N)=O)o1 ZINC001382190472 888295532 /nfs/dbraw/zinc/29/55/32/888295532.db2.gz GWNNKDGULBLCPY-VXNVDRBHSA-N 0 1 284.316 -1.154 20 0 CAADMN CC(C)NC(=O)CN[C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001382191974 888296289 /nfs/dbraw/zinc/29/62/89/888296289.db2.gz ZLAACJBMRKVQCT-JTQLQIEISA-N 0 1 283.332 -1.385 20 0 CAADMN Cc1nc(C)c(C(=O)NC[C@H](CO)N[C@@H](C)C(N)=O)o1 ZINC001382190466 888296261 /nfs/dbraw/zinc/29/62/61/888296261.db2.gz 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/nfs/dbraw/zinc/29/85/36/888298536.db2.gz GETAEPBDISIZEW-SSDOTTSWSA-N 0 1 272.330 -1.431 20 0 CAADMN Cn1cnc(C(=O)NC[C@@H](CO)N[C@@H]2CCN(C)C2=O)n1 ZINC001382202542 888298249 /nfs/dbraw/zinc/29/82/49/888298249.db2.gz NQIDXLOGXDGOTJ-DTWKUNHWSA-N 0 1 296.331 -2.274 20 0 CAADMN Cn1cnc(C(=O)NC[C@H](CO)N[C@@H]2CCN(C)C2=O)n1 ZINC001382202551 888298271 /nfs/dbraw/zinc/29/82/71/888298271.db2.gz NQIDXLOGXDGOTJ-RKDXNWHRSA-N 0 1 296.331 -2.274 20 0 CAADMN CCN1C[C@H](C(=O)NC[C@@H](CO)NCC(N)=O)CC1=O ZINC001382206132 888298587 /nfs/dbraw/zinc/29/85/87/888298587.db2.gz HTWRIMMEQMMBJR-BDAKNGLRSA-N 0 1 286.332 -2.593 20 0 CAADMN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1cc(C)ncn1 ZINC001382197116 888299226 /nfs/dbraw/zinc/29/92/26/888299226.db2.gz XLXOULPDTGPWEK-UWVGGRQHSA-N 0 1 295.343 -1.400 20 0 CAADMN CCCn1nccc1C(=O)NC[C@H](CO)N[C@H](C)C(N)=O ZINC001382203188 888299489 /nfs/dbraw/zinc/29/94/89/888299489.db2.gz BZBVIPQTTPCDDX-NXEZZACHSA-N 0 1 297.359 -1.153 20 0 CAADMN C[C@@H](N[C@@H](CO)CNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001382204495 888299986 /nfs/dbraw/zinc/29/99/86/888299986.db2.gz GMSCBITWFFUFKU-HTRCEHHLSA-N 0 1 293.345 -3.029 20 0 CAADMN O=C(NC[C@H](CO)N[C@H]1CCCNC1=O)C1=CCOCC1 ZINC001382200177 888300143 /nfs/dbraw/zinc/30/01/43/888300143.db2.gz OIGRMEFUKYUDBR-NEPJUHHUSA-N 0 1 297.355 -1.322 20 0 CAADMN CC[C@@H](N[C@@H](CO)CNC(=O)c1ncn(C)n1)C(N)=O ZINC001382207918 888300230 /nfs/dbraw/zinc/30/02/30/888300230.db2.gz UVWIYJDIVOGRCA-HTQZYQBOSA-N 0 1 284.320 -2.241 20 0 CAADMN O=C(NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1CCCCO1 ZINC001382200847 888300352 /nfs/dbraw/zinc/30/03/52/888300352.db2.gz SROKKDHNAAZPCR-DTWKUNHWSA-N 0 1 299.331 -1.354 20 0 CAADMN CCN1C[C@@H](C(=O)NC[C@@H](CO)NCC(N)=O)CC1=O ZINC001382206142 888300512 /nfs/dbraw/zinc/30/05/12/888300512.db2.gz HTWRIMMEQMMBJR-IUCAKERBSA-N 0 1 286.332 -2.593 20 0 CAADMN Cn1cc(Cl)c(C(=O)NC[C@@H](CO)NCC(N)=O)n1 ZINC001382202711 888300546 /nfs/dbraw/zinc/30/05/46/888300546.db2.gz 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/nfs/dbraw/zinc/30/26/97/888302697.db2.gz QBGZQMYQERRRCP-ZCFIWIBFSA-N 0 1 289.723 -1.463 20 0 CAADMN CN1CC[C@H](N[C@H](CO)CNC(=O)CC2(O)CCC2)C1=O ZINC001382210783 888302945 /nfs/dbraw/zinc/30/29/45/888302945.db2.gz YQDPYXTUMVOLGN-QWRGUYRKSA-N 0 1 299.371 -1.411 20 0 CAADMN CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001382218886 888303192 /nfs/dbraw/zinc/30/31/92/888303192.db2.gz LXELGNNBLVHRJD-DTWKUNHWSA-N 0 1 286.332 -2.675 20 0 CAADMN NC(=O)CN[C@@H](CO)CNC(=O)c1cn(C2CCC2)nn1 ZINC001382215996 888303342 /nfs/dbraw/zinc/30/33/42/888303342.db2.gz XLJDMVBDCWEDNP-MRVPVSSYSA-N 0 1 296.331 -1.831 20 0 CAADMN Cc1cc(=O)c(C(=O)NC[C@@H](CO)NCC(N)=O)cn1C ZINC001382216625 888303502 /nfs/dbraw/zinc/30/35/02/888303502.db2.gz VGZYLIOOYPZSHT-VIFPVBQESA-N 0 1 296.327 -2.141 20 0 CAADMN NC(=O)CN[C@H](CO)CNC(=O)CN1CCCNC1=O ZINC001382222405 888303541 /nfs/dbraw/zinc/30/35/41/888303541.db2.gz SAKHYYKIVQGAGP-QMMMGPOBSA-N 0 1 287.320 -3.046 20 0 CAADMN NC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001382212273 888303900 /nfs/dbraw/zinc/30/39/00/888303900.db2.gz OIWSMUHZODXOKJ-NXEZZACHSA-N 0 1 295.343 -2.003 20 0 CAADMN C[C@H](N[C@@H](CO)CNC(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001382209729 888304237 /nfs/dbraw/zinc/30/42/37/888304237.db2.gz YHHSBGWRZAIFAW-DTWKUNHWSA-N 0 1 283.332 -1.433 20 0 CAADMN O=C(NC[C@H](CO)NCCF)c1ccc2nnnn2c1 ZINC001382223022 888304505 /nfs/dbraw/zinc/30/45/05/888304505.db2.gz FKFXKPZUWAKKGB-SECBINFHSA-N 0 1 282.279 -1.226 20 0 CAADMN CCN1CCOC[C@H]1C(=O)NC[C@@H](CO)NCCF ZINC001382212302 888304545 /nfs/dbraw/zinc/30/45/45/888304545.db2.gz OOUBRWRFIYAOSW-QWRGUYRKSA-N 0 1 277.340 -1.257 20 0 CAADMN Cc1c[nH]nc1C(=O)NC[C@@H](CO)N[C@H]1CCCNC1=O ZINC001382222951 888304635 /nfs/dbraw/zinc/30/46/35/888304635.db2.gz UHMOBVBJMASRKF-UWVGGRQHSA-N 0 1 295.343 -1.323 20 0 CAADMN NC(=O)CN[C@@H](CO)CNC(=O)CN1CCCNC1=O ZINC001382222319 888304710 /nfs/dbraw/zinc/30/47/10/888304710.db2.gz SAKHYYKIVQGAGP-MRVPVSSYSA-N 0 1 287.320 -3.046 20 0 CAADMN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)Cc1ccn(C)n1 ZINC001382211801 888305414 /nfs/dbraw/zinc/30/54/14/888305414.db2.gz IJOAVSPFGXIJLW-ONGXEEELSA-N 0 1 297.359 -1.836 20 0 CAADMN NC(=O)CN[C@H](CO)CNC(=O)Cn1cc(C2CC2)cn1 ZINC001382212859 888306025 /nfs/dbraw/zinc/30/60/25/888306025.db2.gz PXFCMPMKRQHMOV-NSHDSACASA-N 0 1 295.343 -1.688 20 0 CAADMN CCCNC(=O)CN[C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001382210812 888306273 /nfs/dbraw/zinc/30/62/73/888306273.db2.gz YTDJYTXYKHWDAP-SECBINFHSA-N 0 1 298.347 -1.978 20 0 CAADMN CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382236059 888308754 /nfs/dbraw/zinc/30/87/54/888308754.db2.gz LLQALGZUAMZUGO-SVDPJWKOSA-N 0 1 285.344 -1.918 20 0 CAADMN CC[C@@H](N[C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001382236029 888308787 /nfs/dbraw/zinc/30/87/87/888308787.db2.gz LIQOOQPGLHNKQZ-NZFPMDFQSA-N 0 1 285.344 -1.791 20 0 CAADMN O=C(NC[C@H](CO)N[C@@H]1CCNC1=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001382237139 888308931 /nfs/dbraw/zinc/30/89/31/888308931.db2.gz 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888667330 /nfs/dbraw/zinc/66/73/30/888667330.db2.gz CZMZGRVQIDVHNW-SECBINFHSA-N 0 1 292.299 -1.418 20 0 CAADMN CC(C)[C@@H](CNC(=O)c1cnn[nH]1)NCc1nnn(C)n1 ZINC001392223389 888669733 /nfs/dbraw/zinc/66/97/33/888669733.db2.gz PVYZEQZOCRPWKE-MRVPVSSYSA-N 0 1 293.335 -1.128 20 0 CAADMN CC(=O)N[C@@H](C)C(=O)N[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001392201066 888670753 /nfs/dbraw/zinc/67/07/53/888670753.db2.gz SERTYDIDORCPSU-SFYZADRCSA-N 0 1 296.331 -1.507 20 0 CAADMN CNC(=O)CCCC(=O)N[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001392294216 888672466 /nfs/dbraw/zinc/67/24/66/888672466.db2.gz NAYWSGHIZUUAQH-MRVPVSSYSA-N 0 1 296.331 -1.045 20 0 CAADMN CNC(=O)CCCC(=O)N[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001392294216 888672472 /nfs/dbraw/zinc/67/24/72/888672472.db2.gz NAYWSGHIZUUAQH-MRVPVSSYSA-N 0 1 296.331 -1.045 20 0 CAADMN CC(=O)NCC(=O)NC[C@H](O)CNCc1nccn1C ZINC001392346061 888676690 /nfs/dbraw/zinc/67/66/90/888676690.db2.gz VPNYLJUCWDOEKJ-SNVBAGLBSA-N 0 1 283.332 -1.877 20 0 CAADMN 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/nfs/dbraw/zinc/09/54/44/889095444.db2.gz LWNKQKXASGKJDT-ZETCQYMHSA-N 0 1 294.315 -1.483 20 0 CAADMN C[C@@H](CNC(=O)CN1CCOCC1)NC(=O)c1nnc[nH]1 ZINC001400273479 889095638 /nfs/dbraw/zinc/09/56/38/889095638.db2.gz VKUNGXHICAFIDF-VIFPVBQESA-N 0 1 296.331 -1.629 20 0 CAADMN C[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1cnn[nH]1 ZINC001400250905 889095811 /nfs/dbraw/zinc/09/58/11/889095811.db2.gz NKHFCAOCIIEMNP-QMMMGPOBSA-N 0 1 277.288 -1.064 20 0 CAADMN C[C@@H](CNC(=O)c1ncn[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001400276228 889096001 /nfs/dbraw/zinc/09/60/01/889096001.db2.gz BSQNWTFLPMDVAO-RBXMUDONSA-N 0 1 279.300 -1.068 20 0 CAADMN C[C@@H](CNC(=O)c1nc[nH]n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001400276228 889096014 /nfs/dbraw/zinc/09/60/14/889096014.db2.gz BSQNWTFLPMDVAO-RBXMUDONSA-N 0 1 279.300 -1.068 20 0 CAADMN Cc1nonc1CC(=O)NC[C@H](C)NC(=O)c1ncn[nH]1 ZINC001400271750 889096037 /nfs/dbraw/zinc/09/60/37/889096037.db2.gz PUMATSFHJUOKLX-LURJTMIESA-N 0 1 293.287 -1.027 20 0 CAADMN Cc1nonc1CC(=O)NC[C@H](C)NC(=O)c1nc[nH]n1 ZINC001400271750 889096049 /nfs/dbraw/zinc/09/60/49/889096049.db2.gz PUMATSFHJUOKLX-LURJTMIESA-N 0 1 293.287 -1.027 20 0 CAADMN COC[C@H](OC)C(=O)N[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001400286953 889097129 /nfs/dbraw/zinc/09/71/29/889097129.db2.gz AHPCYINTJYBOED-IUCAKERBSA-N 0 1 299.331 -1.371 20 0 CAADMN C[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)Cc1nnc[nH]1 ZINC001400306690 889098636 /nfs/dbraw/zinc/09/86/36/889098636.db2.gz SSTULPVFMUXEJW-ZETCQYMHSA-N 0 1 292.303 -1.590 20 0 CAADMN CC(=O)N(C)CC(=O)NC1CN(Cc2n[nH]c(C)n2)C1 ZINC001400316705 889099659 /nfs/dbraw/zinc/09/96/59/889099659.db2.gz JXUQEPGGTGFXCW-UHFFFAOYSA-N 0 1 280.332 -1.108 20 0 CAADMN COC[C@H](O)CN1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001400298812 889100280 /nfs/dbraw/zinc/10/02/80/889100280.db2.gz JXRWWFDMJLWFEX-VHSXEESVSA-N 0 1 298.347 -1.588 20 0 CAADMN CC[C@H](C(N)=O)N1CC(NC(=O)CCc2c[nH]nn2)C1 ZINC001400388078 889104385 /nfs/dbraw/zinc/10/43/85/889104385.db2.gz HXOVDRUGOMSPDE-SNVBAGLBSA-N 0 1 280.332 -1.198 20 0 CAADMN CC[C@H](C(N)=O)N1CC(NC(=O)CCc2cnn[nH]2)C1 ZINC001400388078 889104398 /nfs/dbraw/zinc/10/43/98/889104398.db2.gz HXOVDRUGOMSPDE-SNVBAGLBSA-N 0 1 280.332 -1.198 20 0 CAADMN C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@H]2CCCN2C)C1 ZINC001400409368 889104872 /nfs/dbraw/zinc/10/48/72/889104872.db2.gz WJTFFEZFLRBXOI-WCBMZHEXSA-N 0 1 297.359 -1.536 20 0 CAADMN C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@H]2CCCN2C)C1 ZINC001400409357 889105568 /nfs/dbraw/zinc/10/55/68/889105568.db2.gz WJTFFEZFLRBXOI-PSASIEDQSA-N 0 1 297.359 -1.536 20 0 CAADMN NC(=O)NCCC(=O)NC1CN(C[C@H]2CCOC2)C1 ZINC001400432059 889105686 /nfs/dbraw/zinc/10/56/86/889105686.db2.gz LLBVAPQYHZDALT-SECBINFHSA-N 0 1 270.333 -1.118 20 0 CAADMN CC(=O)N[C@H](C)C(=O)NCC1CN(CCn2cncn2)C1 ZINC001400473314 889106762 /nfs/dbraw/zinc/10/67/62/889106762.db2.gz AEHHKMLVWMLKIV-SNVBAGLBSA-N 0 1 294.359 -1.149 20 0 CAADMN CC(=O)N[C@@H](C)C(=O)NCC1CN(CCn2cncn2)C1 ZINC001400473308 889108277 /nfs/dbraw/zinc/10/82/77/889108277.db2.gz AEHHKMLVWMLKIV-JTQLQIEISA-N 0 1 294.359 -1.149 20 0 CAADMN C[C@@H](CN1CCOCC1)C(=O)NCC1CN(CC(N)=O)C1 ZINC001400560766 889111464 /nfs/dbraw/zinc/11/14/64/889111464.db2.gz JYLGHHSHVXNLDO-NSHDSACASA-N 0 1 298.387 -1.512 20 0 CAADMN NC(=O)CCCC(=O)NCC1CN(CCn2cncn2)C1 ZINC001400569913 889111680 /nfs/dbraw/zinc/11/16/80/889111680.db2.gz HMNWAHGWFINKNR-UHFFFAOYSA-N 0 1 294.359 -1.018 20 0 CAADMN C[C@H](CN1CCOCC1)C(=O)NCC1CN(CC(N)=O)C1 ZINC001400560763 889112124 /nfs/dbraw/zinc/11/21/24/889112124.db2.gz JYLGHHSHVXNLDO-LLVKDONJSA-N 0 1 298.387 -1.512 20 0 CAADMN O=C(NCC1(NC(=O)[C@H]2CCC(=O)N2)CC1)c1ncn[nH]1 ZINC001400638027 889114262 /nfs/dbraw/zinc/11/42/62/889114262.db2.gz SFFBRQKWKYEWAN-SSDOTTSWSA-N 0 1 292.299 -1.538 20 0 CAADMN O=C(NCC1(NC(=O)[C@H]2CCC(=O)N2)CC1)c1nc[nH]n1 ZINC001400638027 889114271 /nfs/dbraw/zinc/11/42/71/889114271.db2.gz SFFBRQKWKYEWAN-SSDOTTSWSA-N 0 1 292.299 -1.538 20 0 CAADMN O=C(NCC1(NC(=O)c2cnn[nH]2)CC1)c1cnon1 ZINC001400653368 889114869 /nfs/dbraw/zinc/11/48/69/889114869.db2.gz LPOHOESVSUWKGQ-UHFFFAOYSA-N 0 1 277.244 -1.120 20 0 CAADMN O=C(NC1(CNC(=O)c2ncn[nH]2)CC1)c1cnon1 ZINC001400635946 889115545 /nfs/dbraw/zinc/11/55/45/889115545.db2.gz DXDNJHBEAGVFKD-UHFFFAOYSA-N 0 1 277.244 -1.120 20 0 CAADMN O=C(NC1(CNC(=O)c2nc[nH]n2)CC1)c1cnon1 ZINC001400635946 889115550 /nfs/dbraw/zinc/11/55/50/889115550.db2.gz DXDNJHBEAGVFKD-UHFFFAOYSA-N 0 1 277.244 -1.120 20 0 CAADMN CC(=O)NCC(=O)NC1(CNC(=O)CN2CCCC2)CC1 ZINC001400577815 889115739 /nfs/dbraw/zinc/11/57/39/889115739.db2.gz TYGYUAVKNLLUKU-UHFFFAOYSA-N 0 1 296.371 -1.017 20 0 CAADMN CNC(=O)NCC(=O)N1CC(N(C)C(=O)c2ccn[nH]2)C1 ZINC001400709369 889118396 /nfs/dbraw/zinc/11/83/96/889118396.db2.gz DOJOIYDLNNBCRX-UHFFFAOYSA-N 0 1 294.315 -1.379 20 0 CAADMN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001400713469 889118674 /nfs/dbraw/zinc/11/86/74/889118674.db2.gz FMZDXZLUUDTUBP-UWVGGRQHSA-N 0 1 298.347 -1.636 20 0 CAADMN COCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001401043126 889121632 /nfs/dbraw/zinc/12/16/32/889121632.db2.gz FJNIVBRVZPQRLZ-ZDUSSCGKSA-N 0 1 296.327 -1.322 20 0 CAADMN C[C@@H](CNCc1cnn(C)n1)CNC(=O)[C@H]1COC(=O)N1 ZINC001401104982 889124230 /nfs/dbraw/zinc/12/42/30/889124230.db2.gz ACGRIGGUHRDYBD-WCBMZHEXSA-N 0 1 296.331 -1.235 20 0 CAADMN COCCC(=O)NC[C@H](C)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001401092390 889125681 /nfs/dbraw/zinc/12/56/81/889125681.db2.gz WFHOGWZNWIKILA-SECBINFHSA-N 0 1 285.348 -1.013 20 0 CAADMN C[C@H](CNCc1cn(C)nn1)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001401132666 889127015 /nfs/dbraw/zinc/12/70/15/889127015.db2.gz CTWLTWJZPWQWLE-KOLCDFICSA-N 0 1 294.359 -1.064 20 0 CAADMN CNC(=O)NCC(=O)NC[C@@H](C)CNCc1cn(C)nn1 ZINC001401116558 889127183 /nfs/dbraw/zinc/12/71/83/889127183.db2.gz FLWZRSNUCOKASG-VIFPVBQESA-N 0 1 297.363 -1.414 20 0 CAADMN C[C@H](CNCc1cn(C)nn1)CNC(=O)Cn1cncn1 ZINC001401147412 889127912 /nfs/dbraw/zinc/12/79/12/889127912.db2.gz YRHFCMYZUROKMO-SNVBAGLBSA-N 0 1 292.347 -1.051 20 0 CAADMN Cc1nn[n-]c1C(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001401117557 889128232 /nfs/dbraw/zinc/12/82/32/889128232.db2.gz BENKTDZJHUHVHK-CBAPKCEASA-N 0 1 280.332 -1.043 20 0 CAADMN C[C@H](CNCc1cn(C)nn1)CNC(=O)c1nnn(C)n1 ZINC001401128483 889128615 /nfs/dbraw/zinc/12/86/15/889128615.db2.gz VCMNCOUKKJHANB-MRVPVSSYSA-N 0 1 293.335 -1.506 20 0 CAADMN C[C@@H](CNCc1cn(C)nn1)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001401132667 889128823 /nfs/dbraw/zinc/12/88/23/889128823.db2.gz CTWLTWJZPWQWLE-ONGXEEELSA-N 0 1 294.359 -1.064 20 0 CAADMN Cc1nn[n-]c1C(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001401117564 889128835 /nfs/dbraw/zinc/12/88/35/889128835.db2.gz BENKTDZJHUHVHK-VXNVDRBHSA-N 0 1 280.332 -1.043 20 0 CAADMN Cc1nnc(CNC[C@H](C)CNC(=O)c2nnn(C)n2)[nH]1 ZINC001401122632 889128880 /nfs/dbraw/zinc/12/88/80/889128880.db2.gz IFOOLMKANDXYKU-ZETCQYMHSA-N 0 1 293.335 -1.208 20 0 CAADMN C[C@@H](O)CN1CCO[C@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001401171243 889131787 /nfs/dbraw/zinc/13/17/87/889131787.db2.gz USHFMKHQURVVHO-ZYHUDNBSSA-N 0 1 297.359 -1.065 20 0 CAADMN O=C(CNC[C@H](O)CNC(=O)C(F)F)Nc1ccon1 ZINC001401489893 889140952 /nfs/dbraw/zinc/14/09/52/889140952.db2.gz NYOKCDVTSSMGNL-LURJTMIESA-N 0 1 292.242 -1.055 20 0 CAADMN CC(=O)N(C)CC(=O)NC[C@H](O)CNCc1ccn(C)n1 ZINC001401494590 889143404 /nfs/dbraw/zinc/14/34/04/889143404.db2.gz TUMVAOVHXANMIP-GFCCVEGCSA-N 0 1 297.359 -1.535 20 0 CAADMN CC(=O)NC[C@@H](O)CN[C@H]1CCN(c2ccn(C)n2)C1=O ZINC001401493087 889143506 /nfs/dbraw/zinc/14/35/06/889143506.db2.gz RCVYXWGVLIAFOB-MNOVXSKESA-N 0 1 295.343 -1.388 20 0 CAADMN Cn1ccnc1CNC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001401503364 889147183 /nfs/dbraw/zinc/14/71/83/889147183.db2.gz IFTFBNSIZWEROQ-IUCAKERBSA-N 0 1 297.315 -1.905 20 0 CAADMN Cn1ccc(CNC[C@@H](O)CNC(=O)c2cnnn2C)n1 ZINC001401501459 889147212 /nfs/dbraw/zinc/14/72/12/889147212.db2.gz DSDLBXZUWACVBB-SNVBAGLBSA-N 0 1 293.331 -1.571 20 0 CAADMN CC(=O)NC[C@H](O)CNCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001401498609 889147858 /nfs/dbraw/zinc/14/78/58/889147858.db2.gz ZRXGIQHMLOFDCZ-WCBMZHEXSA-N 0 1 288.348 -2.334 20 0 CAADMN Cn1cc(C(=O)NC[C@H](O)CNCc2nccn2C)nn1 ZINC001401513776 889149516 /nfs/dbraw/zinc/14/95/16/889149516.db2.gz UOXPYPBXIVCHKP-SECBINFHSA-N 0 1 293.331 -1.571 20 0 CAADMN Cc1cc(CNC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)on1 ZINC001401509067 889150392 /nfs/dbraw/zinc/15/03/92/889150392.db2.gz VLEGRNIYIBJUHF-MWLCHTKSSA-N 0 1 296.327 -1.172 20 0 CAADMN CNC(=O)NCC(=O)NC[C@@H](O)CNCc1ocnc1C ZINC001401537375 889152825 /nfs/dbraw/zinc/15/28/25/889152825.db2.gz IKUSLEVCASXLQK-VIFPVBQESA-N 0 1 299.331 -1.521 20 0 CAADMN Cc1nn[n-]c1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001401550021 889153538 /nfs/dbraw/zinc/15/35/38/889153538.db2.gz HEWLAMIEKAOFEJ-QMMMGPOBSA-N 0 1 284.320 -2.118 20 0 CAADMN C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1cnnn1C ZINC001401548743 889154187 /nfs/dbraw/zinc/15/41/87/889154187.db2.gz DQVAYANEIDQGPO-PSASIEDQSA-N 0 1 298.347 -2.107 20 0 CAADMN CNC(=O)NCC(=O)NC[C@H](O)CNCc1ocnc1C ZINC001401537368 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299.327 -1.035 20 0 CAADMN Cn1nncc1CNC[C@H](O)CNC(=O)c1ccon1 ZINC001482712646 892667587 /nfs/dbraw/zinc/66/75/87/892667587.db2.gz WNIDWXZZFGJBAN-VIFPVBQESA-N 0 1 280.288 -1.316 20 0 CAADMN COc1ccc(CNC[C@H](O)CNC(=O)CC(N)=O)nn1 ZINC001482716646 892671536 /nfs/dbraw/zinc/67/15/36/892671536.db2.gz YYWJTPVKVXFWGQ-VIFPVBQESA-N 0 1 297.315 -2.073 20 0 CAADMN COc1ccc(CNC[C@@H](O)CNC(=O)CC(N)=O)nn1 ZINC001482716645 892671927 /nfs/dbraw/zinc/67/19/27/892671927.db2.gz YYWJTPVKVXFWGQ-SECBINFHSA-N 0 1 297.315 -2.073 20 0 CAADMN Cn1cnc(C(=O)NC[C@H](O)CNCc2cnns2)n1 ZINC001482726038 892676351 /nfs/dbraw/zinc/67/63/51/892676351.db2.gz AZBMSKZAJCMKFC-SSDOTTSWSA-N 0 1 297.344 -1.453 20 0 CAADMN CNC(=O)NCC(=O)NC[C@H](O)CNCc1conc1C ZINC001482733683 892681033 /nfs/dbraw/zinc/68/10/33/892681033.db2.gz HAYYUDYBEBLEHR-SNVBAGLBSA-N 0 1 299.331 -1.521 20 0 CAADMN O=C(NC[C@H](O)CNCc1ccon1)c1cnn[nH]1 ZINC001482744818 892685588 /nfs/dbraw/zinc/68/55/88/892685588.db2.gz CYDICBDFZXKBOE-MRVPVSSYSA-N 0 1 266.261 -1.327 20 0 CAADMN Cc1nocc1CNC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001482758863 892689568 /nfs/dbraw/zinc/68/95/68/892689568.db2.gz LDNAJZKFXGRLLM-VIFPVBQESA-N 0 1 295.303 -1.613 20 0 CAADMN Cn1ccc(CNC[C@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001482759769 892689807 /nfs/dbraw/zinc/68/98/07/892689807.db2.gz BIKVVUPMENGDJS-WUHRBBMRSA-N 0 1 294.355 -1.121 20 0 CAADMN Cn1ccc(CNC[C@H](O)CNC(=O)C2(C(N)=O)CC2)n1 ZINC001482764804 892690915 /nfs/dbraw/zinc/69/09/15/892690915.db2.gz BKZVXYRLTFWHLL-JTQLQIEISA-N 0 1 295.343 -1.748 20 0 CAADMN C[C@@H](NC[C@@H](O)CNC(=O)C(N)=O)c1cnccn1 ZINC001482765484 892691372 /nfs/dbraw/zinc/69/13/72/892691372.db2.gz JGOBHVBVAUSLMH-HTQZYQBOSA-N 0 1 267.289 -1.910 20 0 CAADMN C[C@H](NC[C@H](O)CNC(=O)C(N)=O)c1cnccn1 ZINC001482765487 892691611 /nfs/dbraw/zinc/69/16/11/892691611.db2.gz JGOBHVBVAUSLMH-YUMQZZPRSA-N 0 1 267.289 -1.910 20 0 CAADMN Cc1oncc1CNC[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001482761781 892691935 /nfs/dbraw/zinc/69/19/35/892691935.db2.gz HIYKEFLZIJCINM-ZJUUUORDSA-N 0 1 297.315 -1.769 20 0 CAADMN COc1cc(CNC[C@H](O)CNC(=O)C(N)=O)sn1 ZINC001482765142 892692115 /nfs/dbraw/zinc/69/21/15/892692115.db2.gz GICJWSLJMZDQLA-LURJTMIESA-N 0 1 288.329 -1.796 20 0 CAADMN Cc1nocc1C(=O)NC[C@@H](O)CNCc1cnnn1C ZINC001482765010 892692352 /nfs/dbraw/zinc/69/23/52/892692352.db2.gz CSKUCWDAAMHHEF-JTQLQIEISA-N 0 1 294.315 -1.008 20 0 CAADMN Cc1oncc1CNC[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001482761767 892692374 /nfs/dbraw/zinc/69/23/74/892692374.db2.gz HIYKEFLZIJCINM-NXEZZACHSA-N 0 1 297.315 -1.769 20 0 CAADMN CCc1noc(C)c1CNC[C@H](O)CNC(=O)C(N)=O ZINC001482767537 892694399 /nfs/dbraw/zinc/69/43/99/892694399.db2.gz SHGRCRXVCJOSQF-QMMMGPOBSA-N 0 1 284.316 -1.403 20 0 CAADMN Cc1ncoc1CNC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001482770552 892695301 /nfs/dbraw/zinc/69/53/01/892695301.db2.gz SCFOMTXDWZDGQE-AEJSXWLSSA-N 0 1 296.327 -1.329 20 0 CAADMN Cn1nncc1CNC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001482772688 892696145 /nfs/dbraw/zinc/69/61/45/892696145.db2.gz IMEVJJXQQGXKFG-LLVKDONJSA-N 0 1 293.331 -1.652 20 0 CAADMN CC(C)[C@@H](C)C(=O)NC[C@H](O)CNCc1nc(=O)n(C)[nH]1 ZINC001482774872 892698275 /nfs/dbraw/zinc/69/82/75/892698275.db2.gz NLEPTVPBTRIEIL-NXEZZACHSA-N 0 1 299.375 -1.033 20 0 CAADMN CC(C)[C@H](C)C(=O)NC[C@H](O)CNCc1nc(=O)n(C)[nH]1 ZINC001482774874 892698412 /nfs/dbraw/zinc/69/84/12/892698412.db2.gz NLEPTVPBTRIEIL-VHSXEESVSA-N 0 1 299.375 -1.033 20 0 CAADMN Cc1cc(CNC[C@@H](O)CNC(=O)Cc2nnc[nH]2)no1 ZINC001482784698 892701316 /nfs/dbraw/zinc/70/13/16/892701316.db2.gz MEPNGQJWJLEDIG-SNVBAGLBSA-N 0 1 294.315 -1.089 20 0 CAADMN Cn1nncc1CNC[C@@H](O)CNC(=O)c1ncccn1 ZINC001482779741 892702791 /nfs/dbraw/zinc/70/27/91/892702791.db2.gz PQZGPGGLJMZVCZ-SNVBAGLBSA-N 0 1 291.315 -1.514 20 0 CAADMN Cn1ccc(C(=O)NC[C@H](O)CNCc2cnnn2C)n1 ZINC001482792469 892706488 /nfs/dbraw/zinc/70/64/88/892706488.db2.gz ZJKMHWJRFDUOQL-SNVBAGLBSA-N 0 1 293.331 -1.571 20 0 CAADMN C[C@H](CCNCc1nnnn1C)NC(=O)C(C)(C)C(N)=O ZINC001482841400 892712090 /nfs/dbraw/zinc/71/20/90/892712090.db2.gz GSGLJUAFVHICOJ-MRVPVSSYSA-N 0 1 297.363 -1.294 20 0 CAADMN C[C@@H](CCNCc1cnn(C)n1)NC(=O)CC(N)=O ZINC001482817861 892712103 /nfs/dbraw/zinc/71/21/03/892712103.db2.gz DWSANXFVLPONOO-QMMMGPOBSA-N 0 1 268.321 -1.325 20 0 CAADMN Cc1nnc(CNCC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)[nH]1 ZINC001482868824 892714107 /nfs/dbraw/zinc/71/41/07/892714107.db2.gz QLDLKDDHZDWBOF-APPZFPTMSA-N 0 1 295.347 -1.221 20 0 CAADMN Cc1nnc(CNCC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)[nH]1 ZINC001482868827 892714300 /nfs/dbraw/zinc/71/43/00/892714300.db2.gz QLDLKDDHZDWBOF-VXNVDRBHSA-N 0 1 295.347 -1.221 20 0 CAADMN CC(=O)N(C)CC(=O)NCC=CC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001482984124 892717476 /nfs/dbraw/zinc/71/74/76/892717476.db2.gz BTVHCFRLMUINAS-ONEGZZNKSA-N 0 1 296.331 -1.249 20 0 CAADMN CNC(=O)CNC/C=C\CNC(=O)c1cc[n+]([O-])cc1 ZINC001482977601 892717515 /nfs/dbraw/zinc/71/75/15/892717515.db2.gz UHSLVCVIFBAPGF-IHWYPQMZSA-N 0 1 278.312 -1.058 20 0 CAADMN CCOCC(=O)NC/C=C\CNCC(=O)NC(N)=O ZINC001482976877 892718026 /nfs/dbraw/zinc/71/80/26/892718026.db2.gz LQPKKDRITLTBQP-ARJAWSKDSA-N 0 1 272.305 -1.520 20 0 CAADMN CCN(CCNCC(=O)NCc1ccco1)C(=O)C(N)=O ZINC001482949074 892718201 /nfs/dbraw/zinc/71/82/01/892718201.db2.gz KROOBVVGYDRSAY-UHFFFAOYSA-N 0 1 296.327 -1.181 20 0 CAADMN O=C(NC/C=C/CN[C@H]1CCNC1=O)[C@@H]1COCCO1 ZINC001482982159 892718489 /nfs/dbraw/zinc/71/84/89/892718489.db2.gz WNROWWPVWAIXJY-DQARTPSPSA-N 0 1 283.328 -1.448 20 0 CAADMN CNC(=O)NC(=O)CNCC=CCNC(=O)c1ccn[nH]1 ZINC001482981512 892718887 /nfs/dbraw/zinc/71/88/87/892718887.db2.gz RJISEDKRWGDUFR-IHWYPQMZSA-N 0 1 294.315 -1.259 20 0 CAADMN NC(=O)NC(=O)CNC/C=C\CNC(=O)C(F)F ZINC001482973949 892718981 /nfs/dbraw/zinc/71/89/81/892718981.db2.gz OAULJMRVSOBSBO-UPHRSURJSA-N 0 1 264.232 -1.292 20 0 CAADMN CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cc1nnc[n-]1 ZINC001482961440 892719018 /nfs/dbraw/zinc/71/90/18/892719018.db2.gz HUYPZGZYCOPTMB-VIFPVBQESA-N 0 1 280.332 -1.326 20 0 CAADMN CC(=O)NCC(=O)NC/C=C\CNCC(=O)NC(C)C ZINC001482973173 892719615 /nfs/dbraw/zinc/71/96/15/892719615.db2.gz AOAPFOXRKFPHBP-PLNGDYQASA-N 0 1 284.360 -1.091 20 0 CAADMN NC(=O)NC(=O)CNC/C=C/CNC(=O)C(F)F ZINC001482973945 892719645 /nfs/dbraw/zinc/71/96/45/892719645.db2.gz OAULJMRVSOBSBO-OWOJBTEDSA-N 0 1 264.232 -1.292 20 0 CAADMN CCN(CCNCC(N)=O)C(=O)C(=O)NCC1CC1 ZINC001482960703 892719880 /nfs/dbraw/zinc/71/98/80/892719880.db2.gz VFGYWCMBGZZRBM-UHFFFAOYSA-N 0 1 270.333 -1.564 20 0 CAADMN CCOCC(=O)NC/C=C/CNCC(=O)NC(N)=O ZINC001482976878 892719977 /nfs/dbraw/zinc/71/99/77/892719977.db2.gz LQPKKDRITLTBQP-ONEGZZNKSA-N 0 1 272.305 -1.520 20 0 CAADMN CC(=O)NC/C=C\CNCC(=O)N1CCC(C(N)=O)CC1 ZINC001482975763 892720018 /nfs/dbraw/zinc/72/00/18/892720018.db2.gz XUWDRACIKTWJCG-IHWYPQMZSA-N 0 1 296.371 -1.008 20 0 CAADMN Cn1nncc1C(=O)NCC=CC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001483004878 892721031 /nfs/dbraw/zinc/72/10/31/892721031.db2.gz XZXJMFHXBHZQAL-NSCUHMNNSA-N 0 1 292.303 -1.285 20 0 CAADMN CO[C@@H](C)C(=O)NC/C=C\CNCC(=O)NC(N)=O ZINC001482990374 892721050 /nfs/dbraw/zinc/72/10/50/892721050.db2.gz ZCPXCVNHGNYNET-VEMNSZJBSA-N 0 1 272.305 -1.522 20 0 CAADMN O=C(NC/C=C/CN[C@H]1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001483028021 892721079 /nfs/dbraw/zinc/72/10/79/892721079.db2.gz KWMUHJNTUBZCTR-DQARTPSPSA-N 0 1 294.355 -1.337 20 0 CAADMN CO[C@@H](C)C(=O)NC/C=C/CNCC(=O)NC(N)=O ZINC001482990371 892721097 /nfs/dbraw/zinc/72/10/97/892721097.db2.gz ZCPXCVNHGNYNET-RTMURIBGSA-N 0 1 272.305 -1.522 20 0 CAADMN C[C@@H]1C[C@H](C(=O)NC/C=C\CNCC(=O)NC(N)=O)CO1 ZINC001483029197 892721128 /nfs/dbraw/zinc/72/11/28/892721128.db2.gz MLXPQJGIZOALOF-LTFJCZIQSA-N 0 1 298.343 -1.132 20 0 CAADMN NC(=O)CNC/C=C\CNC(=O)c1cccn2nnnc12 ZINC001483011397 892721340 /nfs/dbraw/zinc/72/13/40/892721340.db2.gz HJEVWGNJQPTAIF-UPHRSURJSA-N 0 1 289.299 -1.515 20 0 CAADMN NC(=O)NC(=O)CNC/C=C/CNC(=O)C1=CCOCC1 ZINC001483001287 892721409 /nfs/dbraw/zinc/72/14/09/892721409.db2.gz UADNSBIZXKEBJL-OWOJBTEDSA-N 0 1 296.327 -1.210 20 0 CAADMN NC(=O)c1ncn(CC(=O)NC/C=C\CNCCF)n1 ZINC001483007524 892721918 /nfs/dbraw/zinc/72/19/18/892721918.db2.gz AZAVTKCOTPVUSA-UPHRSURJSA-N 0 1 284.295 -1.392 20 0 CAADMN CN(C)C(=O)CNC/C=C\CNC(=O)c1cnnn1C ZINC001483002339 892722183 /nfs/dbraw/zinc/72/21/83/892722183.db2.gz GOILXQPNPKCBIU-PLNGDYQASA-N 0 1 280.332 -1.221 20 0 CAADMN CNC(=O)NCCC(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001483005297 892722426 /nfs/dbraw/zinc/72/24/26/892722426.db2.gz ZYVFTUJYVHLMFG-ZMWSMAPVSA-N 0 1 297.359 -1.544 20 0 CAADMN NC(=O)CNCC=CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001483017631 892722489 /nfs/dbraw/zinc/72/24/89/892722489.db2.gz POQQIIIALMVBMJ-UPHRSURJSA-N 0 1 289.299 -1.286 20 0 CAADMN O=C(NC/C=C/CN[C@@H]1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001483028017 892722651 /nfs/dbraw/zinc/72/26/51/892722651.db2.gz KWMUHJNTUBZCTR-ATOIVCMTSA-N 0 1 294.355 -1.337 20 0 CAADMN CN1CC[C@H](C(=O)NC/C=C\CNCC(N)=O)CC1=O ZINC001483026181 892722679 /nfs/dbraw/zinc/72/26/79/892722679.db2.gz HVTUSHNXSRGILC-ZMWSMAPVSA-N 0 1 282.344 -1.398 20 0 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992349649 /nfs/dbraw/zinc/34/96/49/992349649.db2.gz HPMHRHHCCQODEO-SFYZADRCSA-N 0 1 282.304 -1.521 20 0 CAADMN CN(CC[N@@H+](C)CCO)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001598496519 992370610 /nfs/dbraw/zinc/37/06/10/992370610.db2.gz OTNYFGGTFPDAQJ-UHFFFAOYSA-N 0 1 284.316 -1.036 20 0 CAADMN CC(C)N1CC[NH+](CCC(=O)NC[C@H](O)C(=O)[O-])CC1 ZINC001591630046 992930683 /nfs/dbraw/zinc/93/06/83/992930683.db2.gz OCIIMQXMQUXUHO-NSHDSACASA-N 0 1 287.360 -1.036 20 0 CAADMN CN1C(=O)[C@H]2C[N@@H+](CCC(=O)NCC(=O)[O-])C[C@H]2C1=O ZINC001598556509 993063247 /nfs/dbraw/zinc/06/32/47/993063247.db2.gz JZRODMINIOAGEY-OCAPTIKFSA-N 0 1 283.284 -1.876 20 0 CAADMN CN1C(=O)[C@H]2C[N@H+](Cc3cn(CC(=O)[O-])nn3)C[C@H]2C1=O ZINC001598557397 993069583 /nfs/dbraw/zinc/06/95/83/993069583.db2.gz ZJOKCPDFEATJEC-DTORHVGOSA-N 0 1 293.283 -1.591 20 0 CAADMN CN1C(=O)[C@H]2C[N@@H+](Cc3cn(CC(=O)[O-])nn3)C[C@H]2C1=O ZINC001598557397 993069586 /nfs/dbraw/zinc/06/95/86/993069586.db2.gz ZJOKCPDFEATJEC-DTORHVGOSA-N 0 1 293.283 -1.591 20 0 CAADMN CN1CC(=O)N(CC[N@@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)C1=O ZINC001598560943 993086995 /nfs/dbraw/zinc/08/69/95/993086995.db2.gz WKRMHIPXIHKSEU-BDAKNGLRSA-N 0 1 285.300 -1.352 20 0 CAADMN CN1CC(=O)N(CC[N@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1=O ZINC001598560945 993087180 /nfs/dbraw/zinc/08/71/80/993087180.db2.gz WKRMHIPXIHKSEU-IUCAKERBSA-N 0 1 285.300 -1.352 20 0 CAADMN CN1C[C@@H](C(=O)[O-])N(C(=O)C[NH+]2CCCC2)CC1=O ZINC001598561752 993094862 /nfs/dbraw/zinc/09/48/62/993094862.db2.gz FFHHRUOOHVDWKG-VIFPVBQESA-N 0 1 269.301 -1.164 20 0 CAADMN C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(=O)NCC(=O)[O-] ZINC001598570042 993185571 /nfs/dbraw/zinc/18/55/71/993185571.db2.gz PONIRKWKGNGSTN-RDDDGLTNSA-N 0 1 273.289 -2.242 20 0 CAADMN C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(=O)NCC(=O)[O-] ZINC001598570042 993185573 /nfs/dbraw/zinc/18/55/73/993185573.db2.gz PONIRKWKGNGSTN-RDDDGLTNSA-N 0 1 273.289 -2.242 20 0 CAADMN C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001598570527 993188937 /nfs/dbraw/zinc/18/89/37/993188937.db2.gz SOLVENLZSLUYIE-JFUSQASVSA-N 0 1 272.301 -1.511 20 0 CAADMN C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001598570530 993189446 /nfs/dbraw/zinc/18/94/46/993189446.db2.gz SOLVENLZSLUYIE-ZHAHWJHGSA-N 0 1 272.301 -1.511 20 0 CAADMN C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001598570522 993189877 /nfs/dbraw/zinc/18/98/77/993189877.db2.gz SOLVENLZSLUYIE-FXAINCCUSA-N 0 1 272.301 -1.511 20 0 CAADMN C[N@H+]1C[C@@H](OC(=O)Cn2ncnn2)C[C@]1(C)C(=O)[O-] ZINC001598571286 993199007 /nfs/dbraw/zinc/19/90/07/993199007.db2.gz BJJDTDBYUKABBM-OIBJUYFYSA-N 0 1 269.261 -1.236 20 0 CAADMN C[N@H+]1C[C@H](OC(=O)Cn2ncnn2)C[C@@]1(C)C(=O)[O-] ZINC001598571287 993199066 /nfs/dbraw/zinc/19/90/66/993199066.db2.gz BJJDTDBYUKABBM-XCBNKYQSSA-N 0 1 269.261 -1.236 20 0 CAADMN C[N@H+]1C[C@H](OC(=O)[C@@H]2CSCC(=O)N2)C[C@@H]1C(=O)[O-] ZINC001598573933 993245560 /nfs/dbraw/zinc/24/55/60/993245560.db2.gz OETANONQUCWXRX-GJMOJQLCSA-N 0 1 288.325 -1.082 20 0 CAADMN Cn1cnn(CC(=O)O[C@H]2C[N@@H+](C)[C@](C)(C(=O)[O-])C2)c1=O ZINC001598576260 993280252 /nfs/dbraw/zinc/28/02/52/993280252.db2.gz XHNDOSWTROOPCB-PELKAZGASA-N 0 1 298.299 -1.328 20 0 CAADMN Cn1cnn(CCC(=O)O[C@@H]2C[C@H](C(=O)[O-])[N@@H+](C)C2)c1=O ZINC001598576550 993284852 /nfs/dbraw/zinc/28/48/52/993284852.db2.gz YJTLNASNPYOAQM-RKDXNWHRSA-N 0 1 298.299 -1.328 20 0 CAADMN C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001598585548 993377496 /nfs/dbraw/zinc/37/74/96/993377496.db2.gz ICYQQQPGKSZOQZ-LLVKDONJSA-N 0 1 292.357 -1.163 20 0 CAADMN C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001598592637 993458440 /nfs/dbraw/zinc/45/84/40/993458440.db2.gz BSLUXVVBDOKLJI-BXKDBHETSA-N 0 1 274.317 -1.215 20 0 CAADMN C[N@H+]1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@@H](C(=O)[O-])C1 ZINC001598603061 993593259 /nfs/dbraw/zinc/59/32/59/993593259.db2.gz APBQGZSEHQIMPK-DTWKUNHWSA-N 0 1 269.301 -1.260 20 0 CAADMN C[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H](C(=O)[O-])C1 ZINC001598603062 993593995 /nfs/dbraw/zinc/59/39/95/993593995.db2.gz APBQGZSEHQIMPK-IUCAKERBSA-N 0 1 269.301 -1.260 20 0 CAADMN C[N@@H+]1CCN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC1(C)C ZINC001598603243 993597895 /nfs/dbraw/zinc/59/78/95/993597895.db2.gz FDARRUZBQRFLQG-UHFFFAOYSA-N 0 1 299.327 -1.803 20 0 CAADMN C[N@H+]1CCN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC1(C)C ZINC001598603243 993597905 /nfs/dbraw/zinc/59/79/05/993597905.db2.gz FDARRUZBQRFLQG-UHFFFAOYSA-N 0 1 299.327 -1.803 20 0 CAADMN C[N@H+]1CCN(C(=O)[C@@H](CO)NC(N)=O)C[C@@H](C(=O)[O-])C1 ZINC001598603282 993599376 /nfs/dbraw/zinc/59/93/76/993599376.db2.gz DTSHNEFAHQFRQX-JGVFFNPUSA-N 0 1 288.304 -2.510 20 0 CAADMN C[N@H+]1CCN(C(=O)[C@H](CO)NC(N)=O)C[C@H](C(=O)[O-])C1 ZINC001598603284 993599436 /nfs/dbraw/zinc/59/94/36/993599436.db2.gz DTSHNEFAHQFRQX-SFYZADRCSA-N 0 1 288.304 -2.510 20 0 CAADMN CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CC(=O)[O-] ZINC001598604363 993620213 /nfs/dbraw/zinc/62/02/13/993620213.db2.gz IXHYSBRDHCAJKJ-UHFFFAOYSA-N 0 1 257.290 -1.307 20 0 CAADMN CN1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001598604452 993621417 /nfs/dbraw/zinc/62/14/17/993621417.db2.gz UIVAKNJLQZFTOR-GYSYKLTISA-N 0 1 299.371 -1.084 20 0 CAADMN CN1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001598604452 993621420 /nfs/dbraw/zinc/62/14/20/993621420.db2.gz UIVAKNJLQZFTOR-GYSYKLTISA-N 0 1 299.371 -1.084 20 0 CAADMN CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)CC1=O ZINC001598604407 993621511 /nfs/dbraw/zinc/62/15/11/993621511.db2.gz SXNQNQWUJGAMFG-VHSXEESVSA-N 0 1 283.328 -1.061 20 0 CAADMN CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)CC1=O ZINC001598604405 993621698 /nfs/dbraw/zinc/62/16/98/993621698.db2.gz SXNQNQWUJGAMFG-NXEZZACHSA-N 0 1 283.328 -1.061 20 0 CAADMN C[N@H+]1CCN(C(=O)C2(O)COC2)C[C@@H](C(=O)[O-])C1 ZINC001598604414 993621722 /nfs/dbraw/zinc/62/17/22/993621722.db2.gz SZOQGZHFQLNMQM-QMMMGPOBSA-N 0 1 258.274 -1.778 20 0 CAADMN C[N@H+]1CCN(C(=O)CN2CCOCC2)C[C@H](C(=O)[O-])C1 ZINC001598604763 993628693 /nfs/dbraw/zinc/62/86/93/993628693.db2.gz RTVXSMKNXTURGQ-LLVKDONJSA-N 0 1 285.344 -1.207 20 0 CAADMN CN1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)C1 ZINC001598604956 993631207 /nfs/dbraw/zinc/63/12/07/993631207.db2.gz BUMUVSIJVADHOW-QWRGUYRKSA-N 0 1 285.344 -1.208 20 0 CAADMN CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)NC1=O ZINC001598604905 993631256 /nfs/dbraw/zinc/63/12/56/993631256.db2.gz AVLAFJQRJCFIDW-RKDXNWHRSA-N 0 1 284.316 -1.515 20 0 CAADMN CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)NC1=O ZINC001598604902 993631343 /nfs/dbraw/zinc/63/13/43/993631343.db2.gz AVLAFJQRJCFIDW-BDAKNGLRSA-N 0 1 284.316 -1.515 20 0 CAADMN CN1CCN(C(=O)C[N@@H+](C)C[C@@](C)(O)C(=O)[O-])CC1 ZINC001598605069 993634406 /nfs/dbraw/zinc/63/44/06/993634406.db2.gz VSOGLQOZPBBRKA-GFCCVEGCSA-N 0 1 273.333 -1.472 20 0 CAADMN C[N@H+]1CCN(C(=O)CCn2cnnn2)C[C@@H](C(=O)[O-])C1 ZINC001598605310 993639411 /nfs/dbraw/zinc/63/94/11/993639411.db2.gz ZKAOOOPAVCCTAV-VIFPVBQESA-N 0 1 282.304 -1.462 20 0 CAADMN C[N@H+]1CCN(C(=O)CCc2nnn[n-]2)C[C@H](C(=O)[O-])C1 ZINC001598605284 993639577 /nfs/dbraw/zinc/63/95/77/993639577.db2.gz YHPAXLZJDWFKNR-MRVPVSSYSA-N 0 1 282.304 -1.393 20 0 CAADMN C[N@@H+]1CCN(C(=O)CCc2nn[n-]n2)C[C@H](C(=O)[O-])C1 ZINC001598605284 993639584 /nfs/dbraw/zinc/63/95/84/993639584.db2.gz YHPAXLZJDWFKNR-MRVPVSSYSA-N 0 1 282.304 -1.393 20 0 CAADMN C[N@@H+]1CCN(C(=O)CCc2nn[nH]n2)C[C@H](C(=O)[O-])C1 ZINC001598605284 993639595 /nfs/dbraw/zinc/63/95/95/993639595.db2.gz YHPAXLZJDWFKNR-MRVPVSSYSA-N 0 1 282.304 -1.393 20 0 CAADMN C[N@H+]1CCN(C(=O)CCc2nn[nH]n2)C[C@H](C(=O)[O-])C1 ZINC001598605284 993639602 /nfs/dbraw/zinc/63/96/02/993639602.db2.gz YHPAXLZJDWFKNR-MRVPVSSYSA-N 0 1 282.304 -1.393 20 0 CAADMN C[N@H+]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H](C(=O)[O-])C1 ZINC001598606684 993674572 /nfs/dbraw/zinc/67/45/72/993674572.db2.gz AVQIHCRDDUMORM-QMMMGPOBSA-N 0 1 267.289 -1.178 20 0 CAADMN C[N@@H+]1CCN(C(=O)Cc2ncn[nH]2)C[C@@H](C(=O)[O-])C1 ZINC001598606684 993674576 /nfs/dbraw/zinc/67/45/76/993674576.db2.gz AVQIHCRDDUMORM-QMMMGPOBSA-N 0 1 267.289 -1.178 20 0 CAADMN C[N@H+]1CCN(C(=O)Cc2ncn[nH]2)C[C@@H](C(=O)[O-])C1 ZINC001598606684 993674580 /nfs/dbraw/zinc/67/45/80/993674580.db2.gz AVQIHCRDDUMORM-QMMMGPOBSA-N 0 1 267.289 -1.178 20 0 CAADMN C[N@H+]1CCN(C(=O)Cc2nnc[nH]2)C[C@H](C(=O)[O-])C1 ZINC001598606682 993674993 /nfs/dbraw/zinc/67/49/93/993674993.db2.gz AVQIHCRDDUMORM-MRVPVSSYSA-N 0 1 267.289 -1.178 20 0 CAADMN C[N@@H+]1CCN(C(=O)Cc2ncn[nH]2)C[C@H](C(=O)[O-])C1 ZINC001598606682 993674998 /nfs/dbraw/zinc/67/49/98/993674998.db2.gz AVQIHCRDDUMORM-MRVPVSSYSA-N 0 1 267.289 -1.178 20 0 CAADMN C[N@H+]1CCN(C(=O)Cc2ncn[nH]2)C[C@H](C(=O)[O-])C1 ZINC001598606682 993675004 /nfs/dbraw/zinc/67/50/04/993675004.db2.gz AVQIHCRDDUMORM-MRVPVSSYSA-N 0 1 267.289 -1.178 20 0 CAADMN Cn1cnn(CC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)c1=O ZINC001598607141 993683464 /nfs/dbraw/zinc/68/34/64/993683464.db2.gz HYVZDBVQIAEZQB-SECBINFHSA-N 0 1 297.315 -1.943 20 0 CAADMN Cn1cnn(CC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c1=O ZINC001598607142 993683599 /nfs/dbraw/zinc/68/35/99/993683599.db2.gz HYVZDBVQIAEZQB-VIFPVBQESA-N 0 1 297.315 -1.943 20 0 CAADMN C[N@H+]1CCN(C(=O)Cn2nccc2N)C[C@H](C(=O)[O-])C1 ZINC001598607214 993685280 /nfs/dbraw/zinc/68/52/80/993685280.db2.gz LMLHSPWCWHSHQA-SECBINFHSA-N 0 1 281.316 -1.060 20 0 CAADMN C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)C[C@@H](C(=O)[O-])C1 ZINC001598610456 993759251 /nfs/dbraw/zinc/75/92/51/993759251.db2.gz FKOAPKGRLKKCIB-XHNCKOQMSA-N 0 1 269.301 -1.417 20 0 CAADMN Cn1nnc(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)n1 ZINC001598611556 993783798 /nfs/dbraw/zinc/78/37/98/993783798.db2.gz KQSFYHARSVHDNN-ZETCQYMHSA-N 0 1 283.292 -1.310 20 0 CAADMN Cn1nnc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)n1 ZINC001598612559 993807219 /nfs/dbraw/zinc/80/72/19/993807219.db2.gz UXHXIQLUAVIWKD-SSDOTTSWSA-N 0 1 268.277 -1.702 20 0 CAADMN CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001598612797 993814042 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C[NH+]1CCN(C(=O)CCNC(=O)CNC(=O)[O-])CC1 ZINC000739731400 602066897 /nfs/dbraw/zinc/06/68/97/602066897.db2.gz PMUCOSXTVFRQQJ-UHFFFAOYSA-N 0 1 272.305 -1.466 20 0 CAADMN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CNC(=O)[O-])C1 ZINC000738436772 602257238 /nfs/dbraw/zinc/25/72/38/602257238.db2.gz KAYSGKBMPANGEO-SECBINFHSA-N 0 1 286.332 -1.042 20 0 CAADMN CN(C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1)C(=O)[O-] ZINC000739661091 602537386 /nfs/dbraw/zinc/53/73/86/602537386.db2.gz SFSGCEYUJDPTHN-SNVBAGLBSA-N 0 1 298.343 -1.124 20 0 CAADMN CN(C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1)C(=O)[O-] ZINC000739661090 602537553 /nfs/dbraw/zinc/53/75/53/602537553.db2.gz SFSGCEYUJDPTHN-JTQLQIEISA-N 0 1 298.343 -1.124 20 0 CAADMN C[C@H](CNC(=O)[O-])[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000738941872 602562402 /nfs/dbraw/zinc/56/24/02/602562402.db2.gz VLAGHZBDDKCABJ-MRVPVSSYSA-N 0 1 272.305 -1.467 20 0 CAADMN C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000738941872 602562404 /nfs/dbraw/zinc/56/24/04/602562404.db2.gz 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C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001005018498 656699506 /nfs/dbraw/zinc/69/95/06/656699506.db2.gz DLVSJWYWCOGURF-POYBYMJQSA-N 0 1 280.288 -1.743 20 0 CAADMN C[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001005023740 656699620 /nfs/dbraw/zinc/69/96/20/656699620.db2.gz QNCMJTAMKMXGIB-IONNQARKSA-N 0 1 294.315 -1.353 20 0 CAADMN C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001033236792 656700347 /nfs/dbraw/zinc/70/03/47/656700347.db2.gz HJOBFCAIFKIRNS-HTQZYQBOSA-N 0 1 297.315 -1.190 20 0 CAADMN CN(C(=O)c1nnn(C)n1)[C@H]1CCN(CCO)C1 ZINC001033344963 656708332 /nfs/dbraw/zinc/70/83/32/656708332.db2.gz JZJDGXGWDMCISF-QMMMGPOBSA-N 0 1 254.294 -1.651 20 0 CAADMN C[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1ncn[nH]1 ZINC001005133524 656708777 /nfs/dbraw/zinc/70/87/77/656708777.db2.gz GAHBMSLPUAHOPN-YUMQZZPRSA-N 0 1 294.315 -1.353 20 0 CAADMN C[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1nc[nH]n1 ZINC001005133524 656708785 /nfs/dbraw/zinc/70/87/85/656708785.db2.gz GAHBMSLPUAHOPN-YUMQZZPRSA-N 0 1 294.315 -1.353 20 0 CAADMN C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001005133518 656709665 /nfs/dbraw/zinc/70/96/65/656709665.db2.gz GAHBMSLPUAHOPN-HTQZYQBOSA-N 0 1 294.315 -1.353 20 0 CAADMN C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001005133518 656709671 /nfs/dbraw/zinc/70/96/71/656709671.db2.gz GAHBMSLPUAHOPN-HTQZYQBOSA-N 0 1 294.315 -1.353 20 0 CAADMN Cc1nc(CN2CC[C@H](N(C)C(=O)C(N)=O)C2)n[nH]1 ZINC001033377057 656710567 /nfs/dbraw/zinc/71/05/67/656710567.db2.gz XDVTXMLZILKWIS-QMMMGPOBSA-N 0 1 266.305 -1.369 20 0 CAADMN CN(C(=O)C(N)=O)[C@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC001033373456 656710610 /nfs/dbraw/zinc/71/06/10/656710610.db2.gz OWUQLVSRFLWIPY-NSHDSACASA-N 0 1 292.339 -1.097 20 0 CAADMN CN(C(=O)C(N)=O)[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001033376697 656710773 /nfs/dbraw/zinc/71/07/73/656710773.db2.gz SYCKGZGJBXQIAY-ZJUUUORDSA-N 0 1 292.343 -1.217 20 0 CAADMN CN(C(=O)C(N)=O)[C@H]1CCN(CCn2cccn2)C1 ZINC001033375400 656710983 /nfs/dbraw/zinc/71/09/83/656710983.db2.gz FFMFYLBGUIPTSW-JTQLQIEISA-N 0 1 265.317 -1.099 20 0 CAADMN CN(C(=O)C(N)=O)[C@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001033376696 656711795 /nfs/dbraw/zinc/71/17/95/656711795.db2.gz SYCKGZGJBXQIAY-VHSXEESVSA-N 0 1 292.343 -1.217 20 0 CAADMN NC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncn[nH]1)C2 ZINC001005139206 656712832 /nfs/dbraw/zinc/71/28/32/656712832.db2.gz OVUADBUVPZWZAB-PRJMDXOYSA-N 0 1 292.299 -1.458 20 0 CAADMN NC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc[nH]n1)C2 ZINC001005139206 656712834 /nfs/dbraw/zinc/71/28/34/656712834.db2.gz OVUADBUVPZWZAB-PRJMDXOYSA-N 0 1 292.299 -1.458 20 0 CAADMN CN(C(=O)C(N)=O)[C@H]1CCN(CCn2cncn2)C1 ZINC001033386863 656713170 /nfs/dbraw/zinc/71/31/70/656713170.db2.gz WVBBNXMFGOHSLL-VIFPVBQESA-N 0 1 266.305 -1.704 20 0 CAADMN CN(C(=O)c1cnn(C)n1)[C@@H]1CCN(CCO)C1 ZINC001033503094 656716362 /nfs/dbraw/zinc/71/63/62/656716362.db2.gz VOWMYMDWKHLDKW-SECBINFHSA-N 0 1 253.306 -1.046 20 0 CAADMN CN(C(=O)c1ncn[n-]1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033516983 656717751 /nfs/dbraw/zinc/71/77/51/656717751.db2.gz BDNZEPCNVJKDAR-IUCAKERBSA-N 0 1 278.316 -1.161 20 0 CAADMN CN(C(=O)c1ncn[n-]1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033516983 656717758 /nfs/dbraw/zinc/71/77/58/656717758.db2.gz BDNZEPCNVJKDAR-IUCAKERBSA-N 0 1 278.316 -1.161 20 0 CAADMN CN(C(=O)c1ncn[n-]1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033516984 656717961 /nfs/dbraw/zinc/71/79/61/656717961.db2.gz BDNZEPCNVJKDAR-RKDXNWHRSA-N 0 1 278.316 -1.161 20 0 CAADMN CN(C(=O)c1ncn[n-]1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033516984 656717963 /nfs/dbraw/zinc/71/79/63/656717963.db2.gz BDNZEPCNVJKDAR-RKDXNWHRSA-N 0 1 278.316 -1.161 20 0 CAADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)C[C@@H]1NC(=O)C(N)=O ZINC001005208271 656718533 /nfs/dbraw/zinc/71/85/33/656718533.db2.gz SBTJYSROBMGSIB-APPZFPTMSA-N 0 1 279.300 -1.138 20 0 CAADMN C[C@H]1CCN(C(=O)c2ccn[nH]2)C[C@@H]1NC(=O)C(N)=O ZINC001005208272 656718956 /nfs/dbraw/zinc/71/89/56/656718956.db2.gz SBTJYSROBMGSIB-CBAPKCEASA-N 0 1 279.300 -1.138 20 0 CAADMN C[C@@H]1CCN(C(=O)CN2CCCC2)C[C@H]1NC(=O)C(N)=O ZINC001005215898 656720639 /nfs/dbraw/zinc/72/06/39/656720639.db2.gz HRCSKVMTQNOYNP-GHMZBOCLSA-N 0 1 296.371 -1.079 20 0 CAADMN C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C[C@H]1NC(=O)C(N)=O ZINC001005223110 656720732 /nfs/dbraw/zinc/72/07/32/656720732.db2.gz KPGIWNCMFNTDBP-HTQZYQBOSA-N 0 1 294.315 -1.814 20 0 CAADMN C[C@H]1CCN(C(=O)CN2CCCC2)C[C@H]1NC(=O)C(N)=O ZINC001005215901 656720930 /nfs/dbraw/zinc/72/09/30/656720930.db2.gz HRCSKVMTQNOYNP-WDEREUQCSA-N 0 1 296.371 -1.079 20 0 CAADMN C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C(N)=O ZINC001005217529 656721205 /nfs/dbraw/zinc/72/12/05/656721205.db2.gz NXCHOOUAQMWUJI-PSASIEDQSA-N 0 1 293.327 -1.209 20 0 CAADMN C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C[C@H]1NC(=O)C(N)=O ZINC001005223111 656721936 /nfs/dbraw/zinc/72/19/36/656721936.db2.gz KPGIWNCMFNTDBP-JGVFFNPUSA-N 0 1 294.315 -1.814 20 0 CAADMN C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001033617237 656722801 /nfs/dbraw/zinc/72/28/01/656722801.db2.gz QQTBVEUTWIJXTG-BDAKNGLRSA-N 0 1 299.331 -1.397 20 0 CAADMN CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033617054 656723302 /nfs/dbraw/zinc/72/33/02/656723302.db2.gz OKOQEBIIWNOWBR-QMMMGPOBSA-N 0 1 285.304 -1.786 20 0 CAADMN CC(=O)N1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(CCO)C2)C1 ZINC001033631924 656726524 /nfs/dbraw/zinc/72/65/24/656726524.db2.gz SYBDJPSFRCHZCB-CHWSQXEVSA-N 0 1 299.371 -1.241 20 0 CAADMN C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1cnc[nH]1 ZINC001005308398 656728842 /nfs/dbraw/zinc/72/88/42/656728842.db2.gz SQNBQDUKJKXZQT-PSASIEDQSA-N 0 1 293.327 -1.209 20 0 CAADMN C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001005292433 656728882 /nfs/dbraw/zinc/72/88/82/656728882.db2.gz IEFPZKOQNXASIX-HTQZYQBOSA-N 0 1 294.315 -1.814 20 0 CAADMN C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC001005308403 656729851 /nfs/dbraw/zinc/72/98/51/656729851.db2.gz SQNBQDUKJKXZQT-WPRPVWTQSA-N 0 1 293.327 -1.209 20 0 CAADMN C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1cnc[nH]1 ZINC001005308402 656730558 /nfs/dbraw/zinc/73/05/58/656730558.db2.gz SQNBQDUKJKXZQT-WCBMZHEXSA-N 0 1 293.327 -1.209 20 0 CAADMN CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033883356 656731886 /nfs/dbraw/zinc/73/18/86/656731886.db2.gz NKNXJSNXNNAVLW-MRVPVSSYSA-N 0 1 297.315 -1.189 20 0 CAADMN Cn1cc(/C=C/C(=O)NCC(=O)N2CCNCC2)cn1 ZINC000701417237 656732559 /nfs/dbraw/zinc/73/25/59/656732559.db2.gz PGFFBLBJHKBOBG-NSCUHMNNSA-N 0 1 277.328 -1.019 20 0 CAADMN NC(=O)C(=O)N1CCCCC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001005503337 656733592 /nfs/dbraw/zinc/73/35/92/656733592.db2.gz ZFGDGWSLDQZJJQ-QMMMGPOBSA-N 0 1 294.315 -1.209 20 0 CAADMN NC(=O)C(=O)N1CCCCC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001005503337 656733602 /nfs/dbraw/zinc/73/36/02/656733602.db2.gz ZFGDGWSLDQZJJQ-QMMMGPOBSA-N 0 1 294.315 -1.209 20 0 CAADMN NC(=O)C(=O)N1CCCCC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001005503333 656734489 /nfs/dbraw/zinc/73/44/89/656734489.db2.gz ZFGDGWSLDQZJJQ-MRVPVSSYSA-N 0 1 294.315 -1.209 20 0 CAADMN NC(=O)C(=O)N1CCCCC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001005503333 656734495 /nfs/dbraw/zinc/73/44/95/656734495.db2.gz ZFGDGWSLDQZJJQ-MRVPVSSYSA-N 0 1 294.315 -1.209 20 0 CAADMN NC(=O)C(=O)N1CCCCC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001005462970 656735480 /nfs/dbraw/zinc/73/54/80/656735480.db2.gz ZAJUWJZVAUFZHM-QMMMGPOBSA-N 0 1 294.315 -1.209 20 0 CAADMN NC(=O)C(=O)N[C@H]1CCCCN(CCN2CCNC2=O)C1 ZINC001034371304 656741333 /nfs/dbraw/zinc/74/13/33/656741333.db2.gz BBOBJIRBIHBPND-JTQLQIEISA-N 0 1 297.359 -1.532 20 0 CAADMN Cn1nnc(C(=O)N[C@@H]2CCCCN(CCO)C2)n1 ZINC001034354152 656742289 /nfs/dbraw/zinc/74/22/89/656742289.db2.gz KNCWKFLCGGHRCA-SECBINFHSA-N 0 1 268.321 -1.213 20 0 CAADMN NC(=O)C(=O)N[C@H]1CCCCN(CCn2cncn2)C1 ZINC001034373576 656743700 /nfs/dbraw/zinc/74/37/00/656743700.db2.gz VUSHKQJBJRKUSP-JTQLQIEISA-N 0 1 280.332 -1.266 20 0 CAADMN NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)c2ncn[n-]2)C1 ZINC001034447184 656743705 /nfs/dbraw/zinc/74/37/05/656743705.db2.gz FUGGTKOTEOJQFN-MRVPVSSYSA-N 0 1 266.305 -1.126 20 0 CAADMN Cn1[n-]c(C[NH2+][C@H]2CC[C@H](NC(=O)C(N)=O)CC2)nc1=O ZINC001034719922 656748608 /nfs/dbraw/zinc/74/86/08/656748608.db2.gz CAYGCLKKVDBTGR-ZKCHVHJHSA-N 0 1 296.331 -1.889 20 0 CAADMN Cn1nnnc1CN[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001034718717 656749717 /nfs/dbraw/zinc/74/97/17/656749717.db2.gz KADQITKCSVWPAJ-ZKCHVHJHSA-N 0 1 281.320 -1.788 20 0 CAADMN Cn1nccc1CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001035031745 656750940 /nfs/dbraw/zinc/75/09/40/656750940.db2.gz FXYOXAQLJQVMMH-SNVBAGLBSA-N 0 1 265.317 -1.014 20 0 CAADMN O=C(Cc1nnc[n-]1)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035098990 656752270 /nfs/dbraw/zinc/75/22/70/656752270.db2.gz WEYDVSWBAYIJGD-NXEZZACHSA-N 0 1 292.343 -1.184 20 0 CAADMN CNC(=O)CN1CCO[C@H](CNC(=O)[C@H]2CCCN2C)C1 ZINC001035308713 656757593 /nfs/dbraw/zinc/75/75/93/656757593.db2.gz 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C[C@@H]1[C@H](NC(=O)c2nc[nH]n2)CCN1C(=O)CC(N)=O ZINC001011584569 657112538 /nfs/dbraw/zinc/11/25/38/657112538.db2.gz CGBRFYYXDKHLGW-RNFRBKRXSA-N 0 1 280.288 -1.601 20 0 CAADMN C[C@@H]1[C@H](NC(=O)Cc2nnc[nH]2)CCN1C(=O)CC(N)=O ZINC001011588705 657112548 /nfs/dbraw/zinc/11/25/48/657112548.db2.gz GVFWLBHHBQAWHL-HTQZYQBOSA-N 0 1 294.315 -1.672 20 0 CAADMN C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1ccn[nH]1 ZINC001011601076 657114125 /nfs/dbraw/zinc/11/41/25/657114125.db2.gz GBLJBZQDGOQNCF-VXNVDRBHSA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCc1nc[nH]n1 ZINC001011628050 657114196 /nfs/dbraw/zinc/11/41/96/657114196.db2.gz LWQMBZCBBTYSDB-JGVFFNPUSA-N 0 1 294.315 -1.672 20 0 CAADMN C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1ccn[nH]1 ZINC001011601075 657114324 /nfs/dbraw/zinc/11/43/24/657114324.db2.gz GBLJBZQDGOQNCF-IONNQARKSA-N 0 1 279.300 -1.457 20 0 CAADMN Cc1nn[nH]c1C(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011876034 657116650 /nfs/dbraw/zinc/11/66/50/657116650.db2.gz OCNMCCSGWUJHLU-UHFFFAOYSA-N 0 1 266.261 -2.117 20 0 CAADMN Cc1nn[nH]c1C(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001011870837 657116994 /nfs/dbraw/zinc/11/69/94/657116994.db2.gz CZXQBECRONPMMP-UHFFFAOYSA-N 0 1 290.287 -1.171 20 0 CAADMN Cc1nn[nH]c1C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC001011952068 657117263 /nfs/dbraw/zinc/11/72/63/657117263.db2.gz RDJMEYXCIFJTSG-BQBZGAKWSA-N 0 1 280.288 -1.682 20 0 CAADMN C[C@H]1[C@H](NC(=O)c2cnn[nH]2)CCN1C(=O)c1cn[nH]n1 ZINC001011874028 657117721 /nfs/dbraw/zinc/11/77/21/657117721.db2.gz AGZDQYNULJNXRY-NKWVEPMBSA-N 0 1 290.287 -1.044 20 0 CAADMN Cc1nc(CC(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)n[nH]1 ZINC001012014751 657119441 /nfs/dbraw/zinc/11/94/41/657119441.db2.gz GAYYBYCYVVIPPH-HTRCEHHLSA-N 0 1 294.315 -1.753 20 0 CAADMN C[C@H]1[C@@H](NC(=O)c2ncn[nH]2)CCN1C(=O)c1nc[nH]n1 ZINC001011966780 657119593 /nfs/dbraw/zinc/11/95/93/657119593.db2.gz XXDFJAVRAMKIQF-BQBZGAKWSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@H]1[C@@H](NC(=O)c2nc[nH]n2)CCN1C(=O)c1nc[nH]n1 ZINC001011966780 657119597 /nfs/dbraw/zinc/11/95/97/657119597.db2.gz XXDFJAVRAMKIQF-BQBZGAKWSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)c1nc[nH]n1 ZINC001011965118 657119632 /nfs/dbraw/zinc/11/96/32/657119632.db2.gz WZKRMWVSDOGAGX-BQBZGAKWSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@@H]1[C@H](NC(=O)c2ncn[nH]2)CCN1C(=O)C(N)=O ZINC001012017253 657120670 /nfs/dbraw/zinc/12/06/70/657120670.db2.gz JYGDMJGNWCIDDO-PHDIDXHHSA-N 0 1 266.261 -1.991 20 0 CAADMN C[C@@H]1[C@H](NC(=O)c2nc[nH]n2)CCN1C(=O)C(N)=O ZINC001012017253 657120678 /nfs/dbraw/zinc/12/06/78/657120678.db2.gz JYGDMJGNWCIDDO-PHDIDXHHSA-N 0 1 266.261 -1.991 20 0 CAADMN C[C@H]1[C@H](NC(=O)c2[nH]ncc2F)CCN1C(=O)C(N)=O ZINC001012022707 657121400 /nfs/dbraw/zinc/12/14/00/657121400.db2.gz GAFUINGYANDZIJ-CAHLUQPWSA-N 0 1 283.263 -1.247 20 0 CAADMN C[C@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)C(N)=O ZINC001012024108 657121432 /nfs/dbraw/zinc/12/14/32/657121432.db2.gz UVFUCKRVROZRMW-WDSKDSINSA-N 0 1 266.261 -1.991 20 0 CAADMN C[C@@H]1[C@H](NC(=O)Cc2cnc[nH]2)CCN1C(=O)C(N)=O ZINC001012026349 657121680 /nfs/dbraw/zinc/12/16/80/657121680.db2.gz UDPBCEBNIRKSOD-VXNVDRBHSA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@@H]1[C@H](NC(=O)c2cnn[nH]2)CCN1C(=O)C(N)=O ZINC001012024107 657122277 /nfs/dbraw/zinc/12/22/77/657122277.db2.gz UVFUCKRVROZRMW-PHDIDXHHSA-N 0 1 266.261 -1.991 20 0 CAADMN C[C@H]1[C@@H](NC(=O)C2=NC(=O)N(C)C2)CCN1C(=O)C(N)=O ZINC001012019877 657122337 /nfs/dbraw/zinc/12/23/37/657122337.db2.gz YUMXUZRQWHTRFW-BQBZGAKWSA-N 0 1 295.299 -1.670 20 0 CAADMN Cc1ncc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@@H]2C)[nH]1 ZINC001012388723 657126672 /nfs/dbraw/zinc/12/66/72/657126672.db2.gz DDQYGFJXIOHICV-XPUUQOCRSA-N 0 1 279.300 -1.077 20 0 CAADMN Cc1ncc(C(=O)N2C[C@H](NC(=O)C(N)=O)C[C@@H]2C)[nH]1 ZINC001012388721 657126966 /nfs/dbraw/zinc/12/69/66/657126966.db2.gz DDQYGFJXIOHICV-POYBYMJQSA-N 0 1 279.300 -1.077 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)CN1C(=O)CC(N)=O ZINC001012411239 657127728 /nfs/dbraw/zinc/12/77/28/657127728.db2.gz ZWIZLUDMGZUNEO-RNFRBKRXSA-N 0 1 280.288 -1.601 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)CN1C(=O)CC(N)=O ZINC001012411239 657127733 /nfs/dbraw/zinc/12/77/33/657127733.db2.gz ZWIZLUDMGZUNEO-RNFRBKRXSA-N 0 1 280.288 -1.601 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1ccn[nH]1 ZINC001012425135 657128206 /nfs/dbraw/zinc/12/82/06/657128206.db2.gz KGEANXRRFYCAJH-APPZFPTMSA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@H]1C[C@H](NC(=O)Cc2cnc[nH]2)CN1C(=O)CC(N)=O ZINC001012411356 657128644 /nfs/dbraw/zinc/12/86/44/657128644.db2.gz FVYDSSGVOOEUDG-WPRPVWTQSA-N 0 1 293.327 -1.067 20 0 CAADMN C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCc1nc[nH]n1 ZINC001012456329 657129057 /nfs/dbraw/zinc/12/90/57/657129057.db2.gz WODBLRKJIFBFLW-JGVFFNPUSA-N 0 1 294.315 -1.672 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCc1cnc[nH]1 ZINC001012923898 657132117 /nfs/dbraw/zinc/13/21/17/657132117.db2.gz QIXNOYHYMJWEQF-SCZZXKLOSA-N 0 1 293.327 -1.067 20 0 CAADMN C[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)CN1C(=O)c1cn[nH]n1 ZINC001013139436 657133023 /nfs/dbraw/zinc/13/30/23/657133023.db2.gz CYTAZNDNZWSJCE-NKWVEPMBSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)CN1C(=O)c1cn[nH]n1 ZINC001013139436 657133029 /nfs/dbraw/zinc/13/30/29/657133029.db2.gz CYTAZNDNZWSJCE-NKWVEPMBSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)CN1C(=O)c1cn[nH]n1 ZINC001013151029 657133092 /nfs/dbraw/zinc/13/30/92/657133092.db2.gz XOXFWEHOHQQMLH-RNFRBKRXSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)CN1C(=O)c1nc[nH]n1 ZINC001013652190 657135951 /nfs/dbraw/zinc/13/59/51/657135951.db2.gz JJOWBIPXCFVEGV-RNFRBKRXSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)CN1C(=O)c1nc[nH]n1 ZINC001013652190 657135956 /nfs/dbraw/zinc/13/59/56/657135956.db2.gz JJOWBIPXCFVEGV-RNFRBKRXSA-N 0 1 290.287 -1.044 20 0 CAADMN Cc1nc(CC(=O)N[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)n[nH]1 ZINC001013957492 657137554 /nfs/dbraw/zinc/13/75/54/657137554.db2.gz CACAWQYWQPHWSF-HTRCEHHLSA-N 0 1 294.315 -1.753 20 0 CAADMN C[C@H]1C[C@@H](NC(=O)c2[nH]ncc2F)CN1C(=O)C(N)=O ZINC001013974103 657140873 /nfs/dbraw/zinc/14/08/73/657140873.db2.gz FIPGNEDWNHHUIN-NTSWFWBYSA-N 0 1 283.263 -1.247 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)CN1C(=O)C(N)=O ZINC001013975345 657142050 /nfs/dbraw/zinc/14/20/50/657142050.db2.gz LLUBOIUTQGHITK-VXNVDRBHSA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@H]1C[C@H](NC(=O)CN2CCCC2)CN1C(=O)C(N)=O ZINC001013977752 657142375 /nfs/dbraw/zinc/14/23/75/657142375.db2.gz WIHBSVQZYUUUIG-UWVGGRQHSA-N 0 1 282.344 -1.327 20 0 CAADMN C[C@H]1C[C@H](NC(=O)Cc2cnc[nH]2)CN1C(=O)C(N)=O ZINC001013975343 657142579 /nfs/dbraw/zinc/14/25/79/657142579.db2.gz LLUBOIUTQGHITK-CBAPKCEASA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH]cn1 ZINC001014101999 657143170 /nfs/dbraw/zinc/14/31/70/657143170.db2.gz GJFFDEZETYYWPA-IONNQARKSA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1ncn[nH]1 ZINC001014088940 657143201 /nfs/dbraw/zinc/14/32/01/657143201.db2.gz QRISZUFLRZLVJZ-RQJHMYQMSA-N 0 1 280.288 -2.062 20 0 CAADMN C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1ncn[nH]1 ZINC001014088937 657143215 /nfs/dbraw/zinc/14/32/15/657143215.db2.gz QRISZUFLRZLVJZ-BQBZGAKWSA-N 0 1 280.288 -2.062 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)C1=NC(=O)N(C)C1 ZINC001014028782 657143462 /nfs/dbraw/zinc/14/34/62/657143462.db2.gz QLAIHVNDVMAWLO-RNFRBKRXSA-N 0 1 295.299 -1.670 20 0 CAADMN NC(=O)C(=O)N1CC[C@]2(NC(=O)c3ncn[nH]3)CCC[C@H]12 ZINC001014396324 657143514 /nfs/dbraw/zinc/14/35/14/657143514.db2.gz MCJJXTZEKPEGGT-JVXZTZIISA-N 0 1 292.299 -1.457 20 0 CAADMN NC(=O)C(=O)N1CC[C@]2(NC(=O)c3nc[nH]n3)CCC[C@H]12 ZINC001014396324 657143519 /nfs/dbraw/zinc/14/35/19/657143519.db2.gz MCJJXTZEKPEGGT-JVXZTZIISA-N 0 1 292.299 -1.457 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1ncn[nH]1 ZINC001014088939 657143728 /nfs/dbraw/zinc/14/37/28/657143728.db2.gz QRISZUFLRZLVJZ-RNFRBKRXSA-N 0 1 280.288 -2.062 20 0 CAADMN COCCn1cc(C(=O)N[C@@H]2CCN(CCO)C2)nn1 ZINC001014398482 657143877 /nfs/dbraw/zinc/14/38/77/657143877.db2.gz PANATALCAQWIIM-SNVBAGLBSA-N 0 1 283.332 -1.279 20 0 CAADMN COCCn1cc(C(=O)N[C@H]2CCN(CCO)C2)nn1 ZINC001014398475 657144112 /nfs/dbraw/zinc/14/41/12/657144112.db2.gz PANATALCAQWIIM-JTQLQIEISA-N 0 1 283.332 -1.279 20 0 CAADMN Cc1nc(CC(=O)N[C@H]2CCN([C@H]3CCNC3=O)C2)n[nH]1 ZINC001014392209 657144193 /nfs/dbraw/zinc/14/41/93/657144193.db2.gz DICYCJDAAHKFQR-UWVGGRQHSA-N 0 1 292.343 -1.265 20 0 CAADMN NC(=O)C(=O)N1CC[C@]2(NC(=O)c3ncn[nH]3)CCC[C@@H]12 ZINC001014396322 657144505 /nfs/dbraw/zinc/14/45/05/657144505.db2.gz MCJJXTZEKPEGGT-JMCQJSRRSA-N 0 1 292.299 -1.457 20 0 CAADMN NC(=O)C(=O)N1CC[C@]2(NC(=O)c3nc[nH]n3)CCC[C@@H]12 ZINC001014396322 657144514 /nfs/dbraw/zinc/14/45/14/657144514.db2.gz MCJJXTZEKPEGGT-JMCQJSRRSA-N 0 1 292.299 -1.457 20 0 CAADMN C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1ncn[nH]1 ZINC001014088938 657144698 /nfs/dbraw/zinc/14/46/98/657144698.db2.gz QRISZUFLRZLVJZ-NKWVEPMBSA-N 0 1 280.288 -2.062 20 0 CAADMN NC(=O)C(=O)NC1CC2(C1)CC(NC(=O)c1cnn[nH]1)C2 ZINC001014018945 657144716 /nfs/dbraw/zinc/14/47/16/657144716.db2.gz HOABAZCWRWPKPZ-UHFFFAOYSA-N 0 1 292.299 -1.553 20 0 CAADMN NC(=O)C(=O)N1CC[C@@]2(NC(=O)c3ncn[nH]3)CCC[C@@H]12 ZINC001014396325 657144818 /nfs/dbraw/zinc/14/48/18/657144818.db2.gz MCJJXTZEKPEGGT-KRTXAFLBSA-N 0 1 292.299 -1.457 20 0 CAADMN NC(=O)C(=O)N1CC[C@@]2(NC(=O)c3nc[nH]n3)CCC[C@@H]12 ZINC001014396325 657144828 /nfs/dbraw/zinc/14/48/28/657144828.db2.gz MCJJXTZEKPEGGT-KRTXAFLBSA-N 0 1 292.299 -1.457 20 0 CAADMN NC(=O)C(=O)N1CC[C@]2(NC(=O)c3cnn[nH]3)CCC[C@H]12 ZINC001014332597 657144844 /nfs/dbraw/zinc/14/48/44/657144844.db2.gz IQFSBJIULNUDNG-QPUJVOFHSA-N 0 1 292.299 -1.457 20 0 CAADMN O=C(Cn1ncnn1)N[C@@H]1CCN(CCn2cccn2)C1 ZINC001014428587 657146750 /nfs/dbraw/zinc/14/67/50/657146750.db2.gz LKWRWHGFVDPXHC-LLVKDONJSA-N 0 1 290.331 -1.240 20 0 CAADMN O=C(N[C@@H]1CCN(CCO)C1)c1cccn2nnnc12 ZINC001014554097 657148935 /nfs/dbraw/zinc/14/89/35/657148935.db2.gz SKSXBJDHOHUFJH-SECBINFHSA-N 0 1 276.300 -1.079 20 0 CAADMN COCCN1C[C@H](C(=O)N[C@H]2CCN(CCO)C2)CC1=O ZINC001014639303 657149780 /nfs/dbraw/zinc/14/97/80/657149780.db2.gz XJQHLRHPMDQDFM-NEPJUHHUSA-N 0 1 299.371 -1.336 20 0 CAADMN O=C(Cn1nccn1)N[C@H]1CCN(CCn2cncn2)C1 ZINC001014574962 657149872 /nfs/dbraw/zinc/14/98/72/657149872.db2.gz RQVLMVMMCGEVTB-NSHDSACASA-N 0 1 290.331 -1.240 20 0 CAADMN COCCN1C[C@H](C(=O)N[C@@H]2CCN(CCO)C2)CC1=O ZINC001014639310 657149941 /nfs/dbraw/zinc/14/99/41/657149941.db2.gz XJQHLRHPMDQDFM-VXGBXAGGSA-N 0 1 299.371 -1.336 20 0 CAADMN CN1C[C@@H](C(=O)N[C@H]2CCN(CCO)C2)CC1=O ZINC001014638838 657150271 /nfs/dbraw/zinc/15/02/71/657150271.db2.gz WMCCXNFKPKKENO-UWVGGRQHSA-N 0 1 255.318 -1.353 20 0 CAADMN CN1C[C@H](C(=O)N[C@H]2CCN(CCO)C2)CC1=O ZINC001014638842 657150415 /nfs/dbraw/zinc/15/04/15/657150415.db2.gz WMCCXNFKPKKENO-ZJUUUORDSA-N 0 1 255.318 -1.353 20 0 CAADMN O=C(Cn1nccn1)N[C@@H]1CCN(CCn2cncn2)C1 ZINC001014574956 657150974 /nfs/dbraw/zinc/15/09/74/657150974.db2.gz RQVLMVMMCGEVTB-LLVKDONJSA-N 0 1 290.331 -1.240 20 0 CAADMN C[C@H](C(=O)N[C@@H]1CCN(CCO)C1)N1C(=O)CCC1=O ZINC001014630759 657151069 /nfs/dbraw/zinc/15/10/69/657151069.db2.gz UFIDAILWHIJDME-NXEZZACHSA-N 0 1 283.328 -1.293 20 0 CAADMN Cn1cnc(C(=O)N[C@H]2CCN(CCO)C2)cc1=O ZINC001014797432 657152607 /nfs/dbraw/zinc/15/26/07/657152607.db2.gz SGFZBUDPWWJTJP-VIFPVBQESA-N 0 1 266.301 -1.423 20 0 CAADMN Cn1cnc(C(=O)N[C@@H]2CCN(CCO)C2)cc1=O ZINC001014797431 657153400 /nfs/dbraw/zinc/15/34/00/657153400.db2.gz SGFZBUDPWWJTJP-SECBINFHSA-N 0 1 266.301 -1.423 20 0 CAADMN O=C(N[C@@H]1CCN(CCO)C1)[C@H]1CCCC(=O)N1 ZINC001014858192 657156095 /nfs/dbraw/zinc/15/60/95/657156095.db2.gz ZZILFBACBGRZQF-NXEZZACHSA-N 0 1 255.318 -1.162 20 0 CAADMN C[C@H]1[C@H](NC(=O)c2cnn[nH]2)CCCN1C(=O)CC(N)=O ZINC001015052475 657157891 /nfs/dbraw/zinc/15/78/91/657157891.db2.gz JDKYYUPTINBLRX-JGVFFNPUSA-N 0 1 294.315 -1.211 20 0 CAADMN CCN1CCOC[C@H]1C(=O)N[C@H]1CCN(CCO)C1 ZINC001015026931 657158274 /nfs/dbraw/zinc/15/82/74/657158274.db2.gz VCSVMVOUDWCNAG-RYUDHWBXSA-N 0 1 271.361 -1.110 20 0 CAADMN Cn1[nH]c(CN2CC[C@H](NC(=O)c3cnn[nH]3)C2)nc1=O ZINC001015060042 657159386 /nfs/dbraw/zinc/15/93/86/657159386.db2.gz JFQDGBQTOFYVDH-ZETCQYMHSA-N 0 1 292.303 -1.769 20 0 CAADMN CCN1CCOC[C@H]1C(=O)N[C@@H]1CCN(CCO)C1 ZINC001015026924 657159466 /nfs/dbraw/zinc/15/94/66/657159466.db2.gz VCSVMVOUDWCNAG-NEPJUHHUSA-N 0 1 271.361 -1.110 20 0 CAADMN CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn[n-]3)C2)C1=O ZINC001015062066 657160284 /nfs/dbraw/zinc/16/02/84/657160284.db2.gz PJXWMMNVTWBINS-PSASIEDQSA-N 0 1 278.316 -1.161 20 0 CAADMN Cn1nncc1CN1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001015068453 657160449 /nfs/dbraw/zinc/16/04/49/657160449.db2.gz VKYVSUOHTHLRFS-MRVPVSSYSA-N 0 1 276.304 -1.063 20 0 CAADMN O=C(N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)c1cnn[n-]1 ZINC001015067756 657160607 /nfs/dbraw/zinc/16/06/07/657160607.db2.gz QPJWAGWRXTVXKH-WPRPVWTQSA-N 0 1 278.316 -1.113 20 0 CAADMN O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnn[n-]1 ZINC001015066614 657160763 /nfs/dbraw/zinc/16/07/63/657160763.db2.gz LEIANFGWJHBGLY-IONNQARKSA-N 0 1 292.299 -1.586 20 0 CAADMN C[C@H](c1nnnn1C)N1CC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001015065632 657160787 /nfs/dbraw/zinc/16/07/87/657160787.db2.gz GNNMFWYWIVYGNF-SFYZADRCSA-N 0 1 291.319 -1.107 20 0 CAADMN Cn1ncc(CN2CC[C@@H](NC(=O)c3cnn[nH]3)C2)n1 ZINC001015065563 657161008 /nfs/dbraw/zinc/16/10/08/657161008.db2.gz FVKFYNHSGLDQFB-MRVPVSSYSA-N 0 1 276.304 -1.063 20 0 CAADMN O=C(N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)c1cnn[n-]1 ZINC001015067755 657161115 /nfs/dbraw/zinc/16/11/15/657161115.db2.gz QPJWAGWRXTVXKH-WCBMZHEXSA-N 0 1 278.316 -1.113 20 0 CAADMN CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC001015061607 657161269 /nfs/dbraw/zinc/16/12/69/657161269.db2.gz OTGGWIPVQXDJLX-APPZFPTMSA-N 0 1 266.305 -1.127 20 0 CAADMN Cn1nnnc1CN1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001015063436 657161286 /nfs/dbraw/zinc/16/12/86/657161286.db2.gz VUVDJSWVOUQKNP-SSDOTTSWSA-N 0 1 277.292 -1.668 20 0 CAADMN Cn1cnnc1CN1CC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001015063811 657161308 /nfs/dbraw/zinc/16/13/08/657161308.db2.gz ZSGUINMKLKQWSR-QMMMGPOBSA-N 0 1 276.304 -1.063 20 0 CAADMN Cn1cc(CN2CC[C@H](NC(=O)c3cnn[nH]3)C2)nn1 ZINC001015065461 657161697 /nfs/dbraw/zinc/16/16/97/657161697.db2.gz FFQPWNZEYYDBGM-QMMMGPOBSA-N 0 1 276.304 -1.063 20 0 CAADMN CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC001015069049 657161769 /nfs/dbraw/zinc/16/17/69/657161769.db2.gz ZIORGVUKQQEZCO-QMMMGPOBSA-N 0 1 266.305 -1.303 20 0 CAADMN CN(C)C(=O)CN1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001015069049 657161784 /nfs/dbraw/zinc/16/17/84/657161784.db2.gz ZIORGVUKQQEZCO-QMMMGPOBSA-N 0 1 266.305 -1.303 20 0 CAADMN CN(C)C(=O)CN1CC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001015069049 657161791 /nfs/dbraw/zinc/16/17/91/657161791.db2.gz ZIORGVUKQQEZCO-QMMMGPOBSA-N 0 1 266.305 -1.303 20 0 CAADMN CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn[n-]3)C2)C1=O ZINC001015062074 657161958 /nfs/dbraw/zinc/16/19/58/657161958.db2.gz PJXWMMNVTWBINS-WPRPVWTQSA-N 0 1 278.316 -1.161 20 0 CAADMN Cn1cnnc1CN1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001015063810 657162286 /nfs/dbraw/zinc/16/22/86/657162286.db2.gz ZSGUINMKLKQWSR-MRVPVSSYSA-N 0 1 276.304 -1.063 20 0 CAADMN O=C(N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)c1cnn[n-]1 ZINC001015067754 657162358 /nfs/dbraw/zinc/16/23/58/657162358.db2.gz QPJWAGWRXTVXKH-SCZZXKLOSA-N 0 1 278.316 -1.113 20 0 CAADMN CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC001015069047 657162389 /nfs/dbraw/zinc/16/23/89/657162389.db2.gz ZIORGVUKQQEZCO-MRVPVSSYSA-N 0 1 266.305 -1.303 20 0 CAADMN CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001015069047 657162393 /nfs/dbraw/zinc/16/23/93/657162393.db2.gz ZIORGVUKQQEZCO-MRVPVSSYSA-N 0 1 266.305 -1.303 20 0 CAADMN CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001015069047 657162395 /nfs/dbraw/zinc/16/23/95/657162395.db2.gz ZIORGVUKQQEZCO-MRVPVSSYSA-N 0 1 266.305 -1.303 20 0 CAADMN O=C(N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)c1cnn[n-]1 ZINC001015067753 657162548 /nfs/dbraw/zinc/16/25/48/657162548.db2.gz QPJWAGWRXTVXKH-PSASIEDQSA-N 0 1 278.316 -1.113 20 0 CAADMN O=C(N[C@H]1CC[N@H+](CCCO)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015121557 657163324 /nfs/dbraw/zinc/16/33/24/657163324.db2.gz UXACJCFBWBFOCV-ZETCQYMHSA-N 0 1 283.288 -1.531 20 0 CAADMN O=C(N[C@H]1CC[N@H+](CCO)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015117750 657164567 /nfs/dbraw/zinc/16/45/67/657164567.db2.gz FTSSQUTXUJBEAC-LURJTMIESA-N 0 1 269.261 -1.921 20 0 CAADMN C[C@@H]1[C@@H](NC(=O)c2ncn[nH]2)CCCN1C(=O)C(N)=O ZINC001015126368 657164679 /nfs/dbraw/zinc/16/46/79/657164679.db2.gz BPHFSELRJPKXSU-RQJHMYQMSA-N 0 1 280.288 -1.601 20 0 CAADMN C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CCCN1C(=O)C(N)=O ZINC001015126368 657164684 /nfs/dbraw/zinc/16/46/84/657164684.db2.gz BPHFSELRJPKXSU-RQJHMYQMSA-N 0 1 280.288 -1.601 20 0 CAADMN O=C(N[C@@H]1CCN(CCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001015369664 657165595 /nfs/dbraw/zinc/16/55/95/657165595.db2.gz WMZXMEUZVJFUQB-KOLCDFICSA-N 0 1 293.327 -1.452 20 0 CAADMN C[C@@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1c[nH]cn1 ZINC001015196947 657165727 /nfs/dbraw/zinc/16/57/27/657165727.db2.gz XRNHLIWGCVUZSP-PSASIEDQSA-N 0 1 293.327 -1.067 20 0 CAADMN C[C@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1c[nH]cn1 ZINC001015196950 657165938 /nfs/dbraw/zinc/16/59/38/657165938.db2.gz XRNHLIWGCVUZSP-WPRPVWTQSA-N 0 1 293.327 -1.067 20 0 CAADMN C[C@@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1ncn[nH]1 ZINC001015195298 657166186 /nfs/dbraw/zinc/16/61/86/657166186.db2.gz RQYRRKSOVDQVTP-HTQZYQBOSA-N 0 1 294.315 -1.672 20 0 CAADMN O=C(N[C@H]1CCN(CCO)C1)c1ccc2nnnn2c1 ZINC001015264026 657166215 /nfs/dbraw/zinc/16/62/15/657166215.db2.gz QLMURPZJVNXYNI-JTQLQIEISA-N 0 1 276.300 -1.079 20 0 CAADMN C[C@]1(C(=O)N[C@@H]2CCN(CCO)C2)CNC(=O)C1 ZINC001015373288 657166389 /nfs/dbraw/zinc/16/63/89/657166389.db2.gz PCHNVOFSWNXZMM-BXKDBHETSA-N 0 1 255.318 -1.305 20 0 CAADMN CO[C@H]1C[C@H](C(=O)N[C@H]2CCN(CCO)C2)N(C(C)=O)C1 ZINC001015403214 657167666 /nfs/dbraw/zinc/16/76/66/657167666.db2.gz CCUDLFUAJABWTE-RWMBFGLXSA-N 0 1 299.371 -1.195 20 0 CAADMN O=C(N[C@@H]1CCN(CCO)C1)c1ccn2nnnc2c1 ZINC001015494411 657167754 /nfs/dbraw/zinc/16/77/54/657167754.db2.gz CKMSREICBVCMHX-SNVBAGLBSA-N 0 1 276.300 -1.079 20 0 CAADMN O=C(N[C@H]1CCN(CCO)C1)c1ccn2nnnc2c1 ZINC001015494409 657168760 /nfs/dbraw/zinc/16/87/60/657168760.db2.gz CKMSREICBVCMHX-JTQLQIEISA-N 0 1 276.300 -1.079 20 0 CAADMN Cc1nc(CN2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n[nH]1 ZINC001015509352 657169987 /nfs/dbraw/zinc/16/99/87/657169987.db2.gz JMXILDARPUFHEL-VHSXEESVSA-N 0 1 292.343 -1.060 20 0 CAADMN CN1C[C@@H](C(=O)N[C@@H]2CCN(CCO)C2)NC1=O ZINC001015507081 657170360 /nfs/dbraw/zinc/17/03/60/657170360.db2.gz BGROIGQWXJIWGC-BDAKNGLRSA-N 0 1 256.306 -1.807 20 0 CAADMN Cc1nc(CN2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)n[nH]1 ZINC001015509345 657171223 /nfs/dbraw/zinc/17/12/23/657171223.db2.gz JMXILDARPUFHEL-NXEZZACHSA-N 0 1 292.343 -1.060 20 0 CAADMN CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCN(CCO)C1 ZINC001015544707 657172006 /nfs/dbraw/zinc/17/20/06/657172006.db2.gz GMGXJJIDZUIXRG-UWVGGRQHSA-N 0 1 255.318 -1.210 20 0 CAADMN NC(=O)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001015548747 657172319 /nfs/dbraw/zinc/17/23/19/657172319.db2.gz DHWNEUIRFGJKKJ-BQBZGAKWSA-N 0 1 280.288 -1.695 20 0 CAADMN NC(=O)C(=O)N[C@H]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001015548747 657172324 /nfs/dbraw/zinc/17/23/24/657172324.db2.gz DHWNEUIRFGJKKJ-BQBZGAKWSA-N 0 1 280.288 -1.695 20 0 CAADMN NC(=O)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001015548754 657172477 /nfs/dbraw/zinc/17/24/77/657172477.db2.gz DHWNEUIRFGJKKJ-RQJHMYQMSA-N 0 1 280.288 -1.695 20 0 CAADMN NC(=O)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001015548754 657172485 /nfs/dbraw/zinc/17/24/85/657172485.db2.gz 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C[C@H]1CN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CC[NH2+]1 ZINC001263106307 780721145 /nfs/dbraw/zinc/72/11/45/780721145.db2.gz ROAQARWOOARWDF-KWQFWETISA-N 0 1 257.290 -1.750 20 0 CAADMN CN1CCO[C@@H](C(=O)NC[C@@H]2COCCN2)C1=O ZINC001263142398 780722435 /nfs/dbraw/zinc/72/24/35/780722435.db2.gz ZGGDNWAFUFCPBN-BDAKNGLRSA-N 0 1 257.290 -2.052 20 0 CAADMN COCCOCCN1CCN(C(=O)[C@H](N)CO)CC1 ZINC001263151115 780722493 /nfs/dbraw/zinc/72/24/93/780722493.db2.gz SGPGTTMCCNTIGM-LLVKDONJSA-N 0 1 275.349 -1.887 20 0 CAADMN CN1CCO[C@H](C(=O)NC[C@H]2COCCN2)C1=O ZINC001263142399 780722559 /nfs/dbraw/zinc/72/25/59/780722559.db2.gz ZGGDNWAFUFCPBN-DTWKUNHWSA-N 0 1 257.290 -2.052 20 0 CAADMN COC[C@]1(C(=O)N[C@H]2C[C@H](CO)C2)CNCCO1 ZINC001263232604 780725412 /nfs/dbraw/zinc/72/54/12/780725412.db2.gz QPPPFPVVEOWGMV-NHCYSSNCSA-N 0 1 258.318 -1.122 20 0 CAADMN COC[C@@H]1CNCCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001263260767 780726005 /nfs/dbraw/zinc/72/60/05/780726005.db2.gz KIKVZGWOWKNLPF-VIFPVBQESA-N 0 1 298.343 -1.236 20 0 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CAADMN CN(C)S(=O)(=O)NCCN1CCN(C)CC1 ZINC000381566630 780729447 /nfs/dbraw/zinc/72/94/47/780729447.db2.gz SWZPWKKYYLHIMN-UHFFFAOYSA-N 0 1 250.368 -1.370 20 0 CAADMN C[C@H]1CN2CCN1C[C@@H]2C(=O)NCc1cn(C)nn1 ZINC001263795413 780729986 /nfs/dbraw/zinc/72/99/86/780729986.db2.gz WEIBPUPXMAGNQS-GXSJLCMTSA-N 0 1 264.333 -1.180 20 0 CAADMN CN(C[C@@H]1CCN1CCOCCO)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001263812689 780730269 /nfs/dbraw/zinc/73/02/69/780730269.db2.gz RWTYKXYAHYQXOC-TUAOUCFPSA-N 0 1 299.371 -1.351 20 0 CAADMN CN(C[C@H]1CCN1CC(N)=O)C(=O)Cc1ncn[nH]1 ZINC001263816539 780730616 /nfs/dbraw/zinc/73/06/16/780730616.db2.gz DKVFYQCFCASQHL-MRVPVSSYSA-N 0 1 266.305 -1.635 20 0 CAADMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCOCC(N)=O ZINC001263767327 780730630 /nfs/dbraw/zinc/73/06/30/780730630.db2.gz RWDANGRPTFPGIQ-NXEZZACHSA-N 0 1 270.333 -2.007 20 0 CAADMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NC(C)(CO)CO ZINC001263773728 780730704 /nfs/dbraw/zinc/73/07/04/780730704.db2.gz CSFKSXBEFDWBCJ-NXEZZACHSA-N 0 1 257.334 -1.766 20 0 CAADMN C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1cn(C)nn1 ZINC001263795416 780730790 /nfs/dbraw/zinc/73/07/90/780730790.db2.gz WEIBPUPXMAGNQS-ONGXEEELSA-N 0 1 264.333 -1.180 20 0 CAADMN C[C@H](C(N)=O)N(C)CCCNC(=O)[C@@H](C)CC(N)=O ZINC001265902791 780764926 /nfs/dbraw/zinc/76/49/26/780764926.db2.gz WFFBHRXSIOATOM-DTWKUNHWSA-N 0 1 272.349 -1.190 20 0 CAADMN COC(=O)NCCNC(=O)[C@H]1CN2CCN1C[C@@H]2C ZINC001263839547 780731275 /nfs/dbraw/zinc/73/12/75/780731275.db2.gz DXWPWIFRKUEOBS-VHSXEESVSA-N 0 1 270.333 -1.153 20 0 CAADMN C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CN2CCN1C[C@@H]2C ZINC001263841241 780731331 /nfs/dbraw/zinc/73/13/31/780731331.db2.gz FSDKMFAPVKUVTN-LNFKQOIKSA-N 0 1 257.334 -1.767 20 0 CAADMN COC(=O)NCCNC(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001263839548 780731421 /nfs/dbraw/zinc/73/14/21/780731421.db2.gz DXWPWIFRKUEOBS-ZJUUUORDSA-N 0 1 270.333 -1.153 20 0 CAADMN C[C@@H]1CN2CCN1C[C@H]2C(=O)Nc1nnn(C)n1 ZINC001263866462 780731455 /nfs/dbraw/zinc/73/14/55/780731455.db2.gz OOHXUXJBWPCGAL-SFYZADRCSA-N 0 1 251.294 -1.463 20 0 CAADMN NS(=O)(=O)CCCCNS(=O)(=O)c1ncc[nH]1 ZINC000384070180 780731780 /nfs/dbraw/zinc/73/17/80/780731780.db2.gz VDWQEVKQPDTODV-UHFFFAOYSA-N 0 1 282.347 -1.243 20 0 CAADMN C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001263841239 780731823 /nfs/dbraw/zinc/73/18/23/780731823.db2.gz FSDKMFAPVKUVTN-DBIOUOCHSA-N 0 1 257.334 -1.767 20 0 CAADMN COC(=O)NCCNC(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001263839545 780731831 /nfs/dbraw/zinc/73/18/31/780731831.db2.gz DXWPWIFRKUEOBS-NXEZZACHSA-N 0 1 270.333 -1.153 20 0 CAADMN C[C@H]1CN2CCN1C[C@@H]2C(=O)Nc1nnn(C)n1 ZINC001263866461 780731986 /nfs/dbraw/zinc/73/19/86/780731986.db2.gz OOHXUXJBWPCGAL-JGVFFNPUSA-N 0 1 251.294 -1.463 20 0 CAADMN C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1cnnn1C ZINC001263925873 780733252 /nfs/dbraw/zinc/73/32/52/780733252.db2.gz WZCCBDCNMCYGJF-ONGXEEELSA-N 0 1 264.333 -1.180 20 0 CAADMN C[C@H]1CN2CCN1C[C@@H]2C(=O)NCc1cnnn1C ZINC001263925870 780733477 /nfs/dbraw/zinc/73/34/77/780733477.db2.gz WZCCBDCNMCYGJF-GXSJLCMTSA-N 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CCNC(=O)CN1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001481633484 892617199 /nfs/dbraw/zinc/61/71/99/892617199.db2.gz XWHKITOASRDVQM-UHFFFAOYSA-N 0 1 266.305 -1.398 20 0 CAADMN CCNC(=O)CN1CC(CNC(=O)c2cnn[nH]2)C1 ZINC001481633484 892617209 /nfs/dbraw/zinc/61/72/09/892617209.db2.gz XWHKITOASRDVQM-UHFFFAOYSA-N 0 1 266.305 -1.398 20 0 CAADMN O=C(C[NH+]1CC(CNC(=O)c2cnn[n-]2)C1)NCC1CC1 ZINC001481633351 892617838 /nfs/dbraw/zinc/61/78/38/892617838.db2.gz WJJUCRPSLUMOIO-UHFFFAOYSA-N 0 1 292.343 -1.008 20 0 CAADMN O=C(CN1CC(CNC(=O)c2cnn[nH]2)C1)NCC1CC1 ZINC001481633351 892617844 /nfs/dbraw/zinc/61/78/44/892617844.db2.gz WJJUCRPSLUMOIO-UHFFFAOYSA-N 0 1 292.343 -1.008 20 0 CAADMN O=C(CCc1c[nH]nn1)NCC1CN([C@H]2CCNC2=O)C1 ZINC001481647114 892618241 /nfs/dbraw/zinc/61/82/41/892618241.db2.gz VLEVJRZRHKUTRA-NSHDSACASA-N 0 1 292.343 -1.326 20 0 CAADMN O=C(CCc1cnn[nH]1)NCC1CN([C@H]2CCNC2=O)C1 ZINC001481647114 892618246 /nfs/dbraw/zinc/61/82/46/892618246.db2.gz VLEVJRZRHKUTRA-NSHDSACASA-N 0 1 292.343 -1.326 20 0 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/nfs/dbraw/zinc/63/65/55/892636555.db2.gz QXXWNSMLHOKTIF-QMMMGPOBSA-N 0 1 293.335 -1.506 20 0 CAADMN C[C@H](CNCc1cn(C)nn1)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001482141377 892636609 /nfs/dbraw/zinc/63/66/09/892636609.db2.gz CJGHZZDAUBZARM-IEBDPFPHSA-N 0 1 294.359 -1.222 20 0 CAADMN C[C@H](CNCc1nnn(C)n1)CNC(=O)Cc1nnc[nH]1 ZINC001482157348 892639106 /nfs/dbraw/zinc/63/91/06/892639106.db2.gz HCGFONYRXWBANU-MRVPVSSYSA-N 0 1 293.335 -1.587 20 0 CAADMN COCCN1CCO[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001482204247 892642980 /nfs/dbraw/zinc/64/29/80/892642980.db2.gz YWSBYKCFQHLEHT-JTQLQIEISA-N 0 1 283.332 -1.189 20 0 CAADMN CC[C@@H](C)NC(=O)CNC[C@H](C)N(C)C(=O)C(N)=O ZINC001482325731 892646489 /nfs/dbraw/zinc/64/64/89/892646489.db2.gz LLXIXISDJGUIFI-BDAKNGLRSA-N 0 1 272.349 -1.177 20 0 CAADMN CC[C@@H](C)NC(=O)CNC[C@@H](C)N(C)C(=O)C(N)=O ZINC001482325737 892646909 /nfs/dbraw/zinc/64/69/09/892646909.db2.gz LLXIXISDJGUIFI-RKDXNWHRSA-N 0 1 272.349 -1.177 20 0 CAADMN C[C@@H](CNCc1cnnn1C)N(C)C(=O)CCNC(N)=O 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CC(C)C(=O)NC[C@H](O)CNCc1nc(=O)n(C)[nH]1 ZINC001482710534 892663185 /nfs/dbraw/zinc/66/31/85/892663185.db2.gz ZWZWGWBSRVSIAJ-MRVPVSSYSA-N 0 1 271.321 -1.669 20 0 CAADMN Cc1nocc1CNC[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001482707969 892663291 /nfs/dbraw/zinc/66/32/91/892663291.db2.gz FBJDRQCWTFDLQK-VXGBXAGGSA-N 0 1 299.327 -1.035 20 0 CAADMN Cn1nncc1CNC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001482708173 892664530 /nfs/dbraw/zinc/66/45/30/892664530.db2.gz GOLTVZLQGCZDCP-SECBINFHSA-N 0 1 279.304 -1.581 20 0 CAADMN CC(C)C(=O)NC[C@@H](O)CNCc1nc(=O)n(C)[nH]1 ZINC001482710535 892664660 /nfs/dbraw/zinc/66/46/60/892664660.db2.gz ZWZWGWBSRVSIAJ-QMMMGPOBSA-N 0 1 271.321 -1.669 20 0 CAADMN Cn1nncc1CNC[C@@H](O)CNC(=O)c1ccon1 ZINC001482712645 892666403 /nfs/dbraw/zinc/66/64/03/892666403.db2.gz WNIDWXZZFGJBAN-SECBINFHSA-N 0 1 280.288 -1.316 20 0 CAADMN CO[C@H](C)C(=O)NC[C@H](O)CNCc1cnnn1C ZINC001482715210 892669825 /nfs/dbraw/zinc/66/98/25/892669825.db2.gz XNBHZRGLNWEYLE-PSASIEDQSA-N 0 1 271.321 -1.583 20 0 CAADMN Cc1ncc(CNC[C@@H](O)CNC(=O)c2ncn(C)n2)o1 ZINC001482726299 892676991 /nfs/dbraw/zinc/67/69/91/892676991.db2.gz CPNCCHRDUMLSEQ-SECBINFHSA-N 0 1 294.315 -1.008 20 0 CAADMN Cc1ncoc1CNC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001482726781 892677321 /nfs/dbraw/zinc/67/73/21/892677321.db2.gz HAYZZCUBXWJYHV-SECBINFHSA-N 0 1 294.315 -1.008 20 0 CAADMN Cc1ncc(CNC[C@H](O)CNC(=O)c2ncn(C)n2)o1 ZINC001482726300 892677508 /nfs/dbraw/zinc/67/75/08/892677508.db2.gz CPNCCHRDUMLSEQ-VIFPVBQESA-N 0 1 294.315 -1.008 20 0 CAADMN Cn1ccc(CNC[C@@H](O)CNC(=O)c2ncn(C)n2)n1 ZINC001482727155 892677585 /nfs/dbraw/zinc/67/75/85/892677585.db2.gz LMAHWDBGASMOCE-SNVBAGLBSA-N 0 1 293.331 -1.571 20 0 CAADMN Cn1cnc(C(=O)NC[C@@H](O)CNCc2cnns2)n1 ZINC001482726039 892677883 /nfs/dbraw/zinc/67/78/83/892677883.db2.gz AZBMSKZAJCMKFC-ZETCQYMHSA-N 0 1 297.344 -1.453 20 0 CAADMN CNC(=O)NCC(=O)NC[C@@H](O)CNCc1conc1C ZINC001482733682 892679814 /nfs/dbraw/zinc/67/98/14/892679814.db2.gz HAYYUDYBEBLEHR-JTQLQIEISA-N 0 1 299.331 -1.521 20 0 CAADMN Cc1conc1CNC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001482745197 892685231 /nfs/dbraw/zinc/68/52/31/892685231.db2.gz LOROSVOFCUAJFV-QMMMGPOBSA-N 0 1 280.288 -1.018 20 0 CAADMN CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[n-]nnc1C ZINC001482756433 892688290 /nfs/dbraw/zinc/68/82/90/892688290.db2.gz RRQLJGXYZSIJOF-VIFPVBQESA-N 0 1 298.347 -1.680 20 0 CAADMN Cn1ccc(CNC[C@@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001482759768 892688641 /nfs/dbraw/zinc/68/86/41/892688641.db2.gz BIKVVUPMENGDJS-NDBYEHHHSA-N 0 1 294.355 -1.121 20 0 CAADMN Cc1nocc1CNC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001482758862 892688674 /nfs/dbraw/zinc/68/86/74/892688674.db2.gz LDNAJZKFXGRLLM-SECBINFHSA-N 0 1 295.303 -1.613 20 0 CAADMN Cc1nocc1CNC[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001482762165 892691320 /nfs/dbraw/zinc/69/13/20/892691320.db2.gz JYESQWVVHQRPSF-VHSXEESVSA-N 0 1 297.315 -1.769 20 0 CAADMN Cc1nocc1CNC[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001482762164 892691636 /nfs/dbraw/zinc/69/16/36/892691636.db2.gz JYESQWVVHQRPSF-UWVGGRQHSA-N 0 1 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CN1CCN(C)[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000333314678 530070952 /nfs/dbraw/zinc/07/09/52/530070952.db2.gz JXLASQDKNVVVJT-GFCCVEGCSA-N 0 1 297.403 -1.878 20 0 CAADMN CN1CCN(CC(=O)NC(C)(C)c2nn[nH]n2)CC1=O ZINC000444087219 530071525 /nfs/dbraw/zinc/07/15/25/530071525.db2.gz ZAUFHWFWMCTPRV-UHFFFAOYSA-N 0 1 281.320 -1.675 20 0 CAADMN NC(=O)CC(=O)N[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1O ZINC001191988993 781925060 /nfs/dbraw/zinc/92/50/60/781925060.db2.gz UCIYHUYXRIXAGE-HBNTYKKESA-N 0 1 285.344 -1.408 20 0 CAADMN COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001191952460 781925542 /nfs/dbraw/zinc/92/55/42/781925542.db2.gz UIVSTRJSNVLWEH-IJLUTSLNSA-N 0 1 298.343 -1.879 20 0 CAADMN COCCOCC(=O)N[C@@H]1CN([C@@H](C)COC)C[C@H]1O ZINC001191916860 781925647 /nfs/dbraw/zinc/92/56/47/781925647.db2.gz SSEGPQVPVRGGSM-QJPTWQEYSA-N 0 1 290.360 -1.154 20 0 CAADMN CNS(=O)(=O)CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC000331296496 290755374 /nfs/dbraw/zinc/75/53/74/290755374.db2.gz NGVGAKZHPNSGDI-JTQLQIEISA-N 0 1 293.389 -1.380 20 0 CAADMN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CNCCO1 ZINC000430435247 290762046 /nfs/dbraw/zinc/76/20/46/290762046.db2.gz YFWHNFTZLYLIJI-VHSXEESVSA-N 0 1 291.373 -1.485 20 0 CAADMN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CNCCO1 ZINC000430435248 290766852 /nfs/dbraw/zinc/76/68/52/290766852.db2.gz YFWHNFTZLYLIJI-ZJUUUORDSA-N 0 1 291.373 -1.485 20 0 CAADMN COCCCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001191960024 781927051 /nfs/dbraw/zinc/92/70/51/781927051.db2.gz MEDXXZBETAKLJL-GHMZBOCLSA-N 0 1 297.359 -1.065 20 0 CAADMN Cc1cc(CNC(=O)C(=O)N2CCNC(=O)C2)n[nH]1 ZINC000672537947 545593660 /nfs/dbraw/zinc/59/36/60/545593660.db2.gz UCICZHHMGIOSMN-UHFFFAOYSA-N 0 1 265.273 -1.707 20 0 CAADMN Cc1cc(CNC(=O)C(=O)N2CCNC(=O)[C@H]2C)n[nH]1 ZINC000672541767 545593685 /nfs/dbraw/zinc/59/36/85/545593685.db2.gz UCMRJQFJXQIESH-MRVPVSSYSA-N 0 1 279.300 -1.319 20 0 CAADMN Cc1cc(CNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)n[nH]1 ZINC000672538742 545594212 /nfs/dbraw/zinc/59/42/12/545594212.db2.gz 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O=C1NC[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)CCN2C1=O ZINC001192014119 781932988 /nfs/dbraw/zinc/93/29/88/781932988.db2.gz PWRMNCWNCXMDSH-WDEREUQCSA-N 0 1 294.355 -1.455 20 0 CAADMN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1nn[nH]n1 ZINC000676336977 545602341 /nfs/dbraw/zinc/60/23/41/545602341.db2.gz YJGHZLVSKZGMSH-ZETCQYMHSA-N 0 1 290.349 -1.220 20 0 CAADMN COC(=O)CNC(=O)CCN(C)[C@@H]1CCNC1=O ZINC000340218916 291086551 /nfs/dbraw/zinc/08/65/51/291086551.db2.gz KABLDXYJXGYZNX-MRVPVSSYSA-N 0 1 257.290 -1.514 20 0 CAADMN C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H]1C[N@H+](C)CCO1 ZINC000676348000 545602650 /nfs/dbraw/zinc/60/26/50/545602650.db2.gz LZPLYRIKXOMHNJ-PSASIEDQSA-N 0 1 296.327 -1.065 20 0 CAADMN C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676348000 545602653 /nfs/dbraw/zinc/60/26/53/545602653.db2.gz LZPLYRIKXOMHNJ-PSASIEDQSA-N 0 1 296.327 -1.065 20 0 CAADMN CNS(=O)(=O)CCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000676567211 545603217 /nfs/dbraw/zinc/60/32/17/545603217.db2.gz 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/nfs/dbraw/zinc/74/48/20/656744820.db2.gz FUGGTKOTEOJQFN-QMMMGPOBSA-N 0 1 266.305 -1.126 20 0 CAADMN NC(=O)C(=O)N[C@@H]1CCCCN(CCn2cncn2)C1 ZINC001034373577 656744829 /nfs/dbraw/zinc/74/48/29/656744829.db2.gz VUSHKQJBJRKUSP-SNVBAGLBSA-N 0 1 280.332 -1.266 20 0 CAADMN C[C@@H](N[C@H]1CC[C@H](NC(=O)C(N)=O)CC1)c1nnnn1C ZINC001034721697 656747645 /nfs/dbraw/zinc/74/76/45/656747645.db2.gz VISMMTXTBLQRBW-IWSPIJDZSA-N 0 1 295.347 -1.227 20 0 CAADMN Cc1nn[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001005681108 656749394 /nfs/dbraw/zinc/74/93/94/656749394.db2.gz ZPYWZMZDIUSISV-PRJMDXOYSA-N 0 1 292.299 -1.540 20 0 CAADMN Cn1cnnc1CN[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001034719861 656749588 /nfs/dbraw/zinc/74/95/88/656749588.db2.gz AUSFWDFNMPTQPK-KYZUINATSA-N 0 1 280.332 -1.183 20 0 CAADMN Cc1nc(CNC[C@H]2CCCN2C(=O)C(N)=O)n[nH]1 ZINC001035035069 656752494 /nfs/dbraw/zinc/75/24/94/656752494.db2.gz PNWJOJDXKWPIMF-MRVPVSSYSA-N 0 1 266.305 -1.321 20 0 CAADMN O=C(Cc1nnc[n-]1)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035098993 656752546 /nfs/dbraw/zinc/75/25/46/656752546.db2.gz WEYDVSWBAYIJGD-ZJUUUORDSA-N 0 1 292.343 -1.184 20 0 CAADMN CCn1nncc1CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001035032450 656752606 /nfs/dbraw/zinc/75/26/06/656752606.db2.gz WXSCINAKYOCXCO-SECBINFHSA-N 0 1 280.332 -1.136 20 0 CAADMN CNC(=O)CN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C)C1 ZINC001035308708 656756934 /nfs/dbraw/zinc/75/69/34/656756934.db2.gz ZMAODUCDHIGRMJ-NEPJUHHUSA-N 0 1 298.387 -1.356 20 0 CAADMN CNC(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C)C1 ZINC001035308711 656756986 /nfs/dbraw/zinc/75/69/86/656756986.db2.gz ZMAODUCDHIGRMJ-RYUDHWBXSA-N 0 1 298.387 -1.356 20 0 CAADMN CN1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCO1 ZINC001035312224 656757038 /nfs/dbraw/zinc/75/70/38/656757038.db2.gz HCEYWHOJEGLBSN-VXGBXAGGSA-N 0 1 271.361 -1.110 20 0 CAADMN CN1CCC[C@@H]1C(=O)NC[C@H]1CN(CC(N)=O)CCO1 ZINC001035312112 656757262 /nfs/dbraw/zinc/75/72/62/656757262.db2.gz GEBZXFDIXZPPDM-WDEREUQCSA-N 0 1 284.360 -1.617 20 0 CAADMN O=C(NC[C@@H]1CN([C@H]2CCNC2=O)CCO1)c1cnn[nH]1 ZINC001035429536 656764339 /nfs/dbraw/zinc/76/43/39/656764339.db2.gz HNPQTXDWBDTBFW-SCZZXKLOSA-N 0 1 294.315 -1.876 20 0 CAADMN O=C(NC[C@@H]1CN([C@@H]2CCNC2=O)CCO1)c1cnn[nH]1 ZINC001035429532 656764673 /nfs/dbraw/zinc/76/46/73/656764673.db2.gz HNPQTXDWBDTBFW-PSASIEDQSA-N 0 1 294.315 -1.876 20 0 CAADMN O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cnn[n-]1 ZINC001035430163 656765444 /nfs/dbraw/zinc/76/54/44/656765444.db2.gz MWRULUJMHBVXGB-MRVPVSSYSA-N 0 1 255.278 -1.772 20 0 CAADMN O=C(NC[C@@H]1CN(CCO)CCO1)c1cn[nH]n1 ZINC001035430163 656765448 /nfs/dbraw/zinc/76/54/48/656765448.db2.gz MWRULUJMHBVXGB-MRVPVSSYSA-N 0 1 255.278 -1.772 20 0 CAADMN O=C(NC[C@@H]1CN(CCO)CCO1)c1cnn[nH]1 ZINC001035430163 656765457 /nfs/dbraw/zinc/76/54/57/656765457.db2.gz MWRULUJMHBVXGB-MRVPVSSYSA-N 0 1 255.278 -1.772 20 0 CAADMN O=C(NC[C@@H]1CN(Cc2cnon2)CCO1)c1cnn[nH]1 ZINC001035431210 656765776 /nfs/dbraw/zinc/76/57/76/656765776.db2.gz 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/nfs/dbraw/zinc/77/35/49/656773549.db2.gz WUAIZPAQINTKTJ-JTQLQIEISA-N 0 1 298.343 -1.061 20 0 CAADMN C[C@@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001035494623 656773956 /nfs/dbraw/zinc/77/39/56/656773956.db2.gz CLSMNWWBIIGXJV-YUMQZZPRSA-N 0 1 299.306 -1.147 20 0 CAADMN CNC(=O)CN1CCO[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001035495734 656774246 /nfs/dbraw/zinc/77/42/46/656774246.db2.gz MITIXPCCSKYBEO-MRVPVSSYSA-N 0 1 299.306 -1.275 20 0 CAADMN NC(=O)CN1CCO[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001035494459 656774325 /nfs/dbraw/zinc/77/43/25/656774325.db2.gz AJSKWSOZSLULOR-SSDOTTSWSA-N 0 1 285.279 -1.535 20 0 CAADMN CN(C)C(=O)C[N@H+]1CCO[C@@H](CNC(=O)c2nnc[n-]2)C1 ZINC001035550958 656774745 /nfs/dbraw/zinc/77/47/45/656774745.db2.gz ICYUJPZEQYQLNC-VIFPVBQESA-N 0 1 296.331 -1.677 20 0 CAADMN CN(C)C(=O)CN1CCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035550958 656774750 /nfs/dbraw/zinc/77/47/50/656774750.db2.gz ICYUJPZEQYQLNC-VIFPVBQESA-N 0 1 296.331 -1.677 20 0 CAADMN NC(=O)CN1CCO[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001035552080 656774846 /nfs/dbraw/zinc/77/48/46/656774846.db2.gz RXUCFXMMBHCYLX-ZETCQYMHSA-N 0 1 268.277 -2.279 20 0 CAADMN NC(=O)CN1CCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035552080 656774852 /nfs/dbraw/zinc/77/48/52/656774852.db2.gz RXUCFXMMBHCYLX-ZETCQYMHSA-N 0 1 268.277 -2.279 20 0 CAADMN NC(=O)C[N@@H+]1CCO[C@@H](CNC(=O)c2nnc[n-]2)C1 ZINC001035552080 656774861 /nfs/dbraw/zinc/77/48/61/656774861.db2.gz RXUCFXMMBHCYLX-ZETCQYMHSA-N 0 1 268.277 -2.279 20 0 CAADMN NC(=O)C[N@H+]1CCO[C@@H](CNC(=O)c2nnc[n-]2)C1 ZINC001035552080 656774870 /nfs/dbraw/zinc/77/48/70/656774870.db2.gz RXUCFXMMBHCYLX-ZETCQYMHSA-N 0 1 268.277 -2.279 20 0 CAADMN C[C@H](C(N)=O)[N@H+]1CCO[C@H](CNC(=O)c2nnc[n-]2)C1 ZINC001035549291 656774904 /nfs/dbraw/zinc/77/49/04/656774904.db2.gz KQGZBEMBIDRIHL-HTQZYQBOSA-N 0 1 282.304 -1.891 20 0 CAADMN C[C@H](C(N)=O)N1CCO[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035549291 656774909 /nfs/dbraw/zinc/77/49/09/656774909.db2.gz KQGZBEMBIDRIHL-HTQZYQBOSA-N 0 1 282.304 -1.891 20 0 CAADMN C[C@H](C(N)=O)[N@H+]1CCO[C@@H](CNC(=O)c2nnc[n-]2)C1 ZINC001035549295 656775328 /nfs/dbraw/zinc/77/53/28/656775328.db2.gz KQGZBEMBIDRIHL-SFYZADRCSA-N 0 1 282.304 -1.891 20 0 CAADMN C[C@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035549295 656775339 /nfs/dbraw/zinc/77/53/39/656775339.db2.gz KQGZBEMBIDRIHL-SFYZADRCSA-N 0 1 282.304 -1.891 20 0 CAADMN O=C(NC[C@@H]1CN(Cc2cnon2)CCO1)c1ncn[nH]1 ZINC001035557361 656777023 /nfs/dbraw/zinc/77/70/23/656777023.db2.gz VVQISHKMCMORDQ-SECBINFHSA-N 0 1 293.287 -1.182 20 0 CAADMN O=C(NC[C@@H]1CN(Cc2cnon2)CCO1)c1nc[nH]n1 ZINC001035557361 656777029 /nfs/dbraw/zinc/77/70/29/656777029.db2.gz VVQISHKMCMORDQ-SECBINFHSA-N 0 1 293.287 -1.182 20 0 CAADMN O=C(NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1)c1nnc[n-]1 ZINC001035552773 656777182 /nfs/dbraw/zinc/77/71/82/656777182.db2.gz ZWQLJWMUSLFCTF-RKDXNWHRSA-N 0 1 294.315 -1.876 20 0 CAADMN O=C(NC[C@@H]1CN([C@@H]2CCNC2=O)CCO1)c1nnc[nH]1 ZINC001035552773 656777189 /nfs/dbraw/zinc/77/71/89/656777189.db2.gz ZWQLJWMUSLFCTF-RKDXNWHRSA-N 0 1 294.315 -1.876 20 0 CAADMN O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1ncn[n-]1 ZINC001035558080 656777243 /nfs/dbraw/zinc/77/72/43/656777243.db2.gz YRJBCZHIFVQNRL-MRVPVSSYSA-N 0 1 255.278 -1.772 20 0 CAADMN O=C(NC[C@@H]1CN(CCO)CCO1)c1nnc[nH]1 ZINC001035558080 656777250 /nfs/dbraw/zinc/77/72/50/656777250.db2.gz YRJBCZHIFVQNRL-MRVPVSSYSA-N 0 1 255.278 -1.772 20 0 CAADMN O=C(NC[C@@H]1CN(CCO)CCO1)c1ncn[nH]1 ZINC001035558080 656777255 /nfs/dbraw/zinc/77/72/55/656777255.db2.gz YRJBCZHIFVQNRL-MRVPVSSYSA-N 0 1 255.278 -1.772 20 0 CAADMN C[C@H](O)CN1CCO[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001035554724 656777480 /nfs/dbraw/zinc/77/74/80/656777480.db2.gz HCLIVYFTTPYZDD-IUCAKERBSA-N 0 1 269.305 -1.384 20 0 CAADMN C[C@H](O)CN1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001035554724 656777495 /nfs/dbraw/zinc/77/74/95/656777495.db2.gz HCLIVYFTTPYZDD-IUCAKERBSA-N 0 1 269.305 -1.384 20 0 CAADMN 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-1.469 20 0 CAADMN Cc1cc(CC(=O)N[C@@H]2CCN(CC(N)=O)C2)[nH]n1 ZINC001010534382 657091126 /nfs/dbraw/zinc/09/11/26/657091126.db2.gz KGCKDIPRNWPVOE-SECBINFHSA-N 0 1 265.317 -1.064 20 0 CAADMN Cc1cc(C(=O)N2CCN(C(=O)CC(N)=O)CC2)n[nH]1 ZINC001010514955 657091241 /nfs/dbraw/zinc/09/12/41/657091241.db2.gz DEBJIJHOEGMBRV-UHFFFAOYSA-N 0 1 279.300 -1.122 20 0 CAADMN O=C(Cn1cncn1)N1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001010421714 657091511 /nfs/dbraw/zinc/09/15/11/657091511.db2.gz FIHLXGVZOCBIHX-UHFFFAOYSA-N 0 1 289.299 -1.014 20 0 CAADMN NC(=O)C1(C(=O)N2CCN(C(=O)c3ccn[nH]3)CC2)CC1 ZINC001010417855 657091587 /nfs/dbraw/zinc/09/15/87/657091587.db2.gz FOSSJXLBWDINIE-UHFFFAOYSA-N 0 1 291.311 -1.040 20 0 CAADMN NC(=O)CC(=O)N1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001010791958 657095554 /nfs/dbraw/zinc/09/55/54/657095554.db2.gz SVFATAYIHQRUGF-UHFFFAOYSA-N 0 1 280.288 -2.107 20 0 CAADMN Cn1ncc(C(=O)N[C@H]2CCN(CCO)C2)c1N ZINC001010725475 657096309 /nfs/dbraw/zinc/09/63/09/657096309.db2.gz ILNYKTVMHVNELY-QMMMGPOBSA-N 0 1 253.306 -1.201 20 0 CAADMN NC(=O)C(=O)N1CC2(C1)CCCN(C(=O)c1ccn[nH]1)C2 ZINC001010822158 657098120 /nfs/dbraw/zinc/09/81/20/657098120.db2.gz VKKQARCAJUZBQI-UHFFFAOYSA-N 0 1 291.311 -1.040 20 0 CAADMN Cc1nn[nH]c1C(=O)N1CCN(C(=O)CC(N)=O)CC1 ZINC001010804933 657098437 /nfs/dbraw/zinc/09/84/37/657098437.db2.gz WMEJWQJUTKEKEO-UHFFFAOYSA-N 0 1 280.288 -1.727 20 0 CAADMN O=C(N[C@H]1CCN(CCn2cncn2)C1)[C@@H]1COC(=O)N1 ZINC001010815573 657098546 /nfs/dbraw/zinc/09/85/46/657098546.db2.gz KCQXUHXSRNVLSO-UWVGGRQHSA-N 0 1 294.315 -1.423 20 0 CAADMN Cc1nn[nH]c1C(=O)N1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001011450376 657110371 /nfs/dbraw/zinc/11/03/71/657110371.db2.gz YRRDTUZRNGVBDP-UHFFFAOYSA-N 0 1 290.287 -1.171 20 0 CAADMN C[C@H]1[C@H](NC(=O)c2cnn[nH]2)CCN1C(=O)CC(N)=O ZINC001011590462 657111753 /nfs/dbraw/zinc/11/17/53/657111753.db2.gz GEMVLXCHJYXASU-NKWVEPMBSA-N 0 1 280.288 -1.601 20 0 CAADMN Cc1cc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)n[nH]1 ZINC001011541888 657111869 /nfs/dbraw/zinc/11/18/69/657111869.db2.gz MWFMLJINIYBTPM-YUMQZZPRSA-N 0 1 279.300 -1.077 20 0 CAADMN C[C@@H]1[C@H](NC(=O)Cc2cnc[nH]2)CCN1C(=O)CC(N)=O ZINC001011587235 657111942 /nfs/dbraw/zinc/11/19/42/657111942.db2.gz AAONFRWJPFOEFZ-PSASIEDQSA-N 0 1 293.327 -1.067 20 0 CAADMN Cc1ncc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)[nH]1 ZINC001011567976 657112281 /nfs/dbraw/zinc/11/22/81/657112281.db2.gz RPAJWVFVDAOONZ-XPUUQOCRSA-N 0 1 279.300 -1.077 20 0 CAADMN C[C@H]1[C@H](NC(=O)c2ncn[nH]2)CCN1C(=O)c1cn[nH]n1 ZINC001011879763 657117298 /nfs/dbraw/zinc/11/72/98/657117298.db2.gz UMBBVWKDHLOGDO-NKWVEPMBSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@H]1[C@H](NC(=O)c2nc[nH]n2)CCN1C(=O)c1cn[nH]n1 ZINC001011879763 657117307 /nfs/dbraw/zinc/11/73/07/657117307.db2.gz UMBBVWKDHLOGDO-NKWVEPMBSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@@H]1[C@H](NC(=O)c2ncn[nH]2)CCN1C(=O)c1cn[nH]n1 ZINC001011879764 657117441 /nfs/dbraw/zinc/11/74/41/657117441.db2.gz UMBBVWKDHLOGDO-RNFRBKRXSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@@H]1[C@H](NC(=O)c2nc[nH]n2)CCN1C(=O)c1cn[nH]n1 ZINC001011879764 657117459 /nfs/dbraw/zinc/11/74/59/657117459.db2.gz UMBBVWKDHLOGDO-RNFRBKRXSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@H]1[C@H](NC(=O)c2cnn[nH]2)CCN1C(=O)c1nc[nH]n1 ZINC001011965119 657118569 /nfs/dbraw/zinc/11/85/69/657118569.db2.gz WZKRMWVSDOGAGX-NKWVEPMBSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@H]1[C@H](NC(=O)c2ncn[nH]2)CCN1C(=O)c1nc[nH]n1 ZINC001011966781 657118624 /nfs/dbraw/zinc/11/86/24/657118624.db2.gz XXDFJAVRAMKIQF-NKWVEPMBSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@H]1[C@H](NC(=O)c2nc[nH]n2)CCN1C(=O)c1nc[nH]n1 ZINC001011966781 657118630 /nfs/dbraw/zinc/11/86/30/657118630.db2.gz XXDFJAVRAMKIQF-NKWVEPMBSA-N 0 1 290.287 -1.044 20 0 CAADMN Cc1nc(CC(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)n[nH]1 ZINC001012014753 657119272 /nfs/dbraw/zinc/11/92/72/657119272.db2.gz GAYYBYCYVVIPPH-XPUUQOCRSA-N 0 1 294.315 -1.753 20 0 CAADMN Cc1nn[nH]c1C(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC001011952070 657119580 /nfs/dbraw/zinc/11/95/80/657119580.db2.gz RDJMEYXCIFJTSG-RNFRBKRXSA-N 0 1 280.288 -1.682 20 0 CAADMN Cc1nc(CC(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)n[nH]1 ZINC001012014752 657119693 /nfs/dbraw/zinc/11/96/93/657119693.db2.gz GAYYBYCYVVIPPH-POYBYMJQSA-N 0 1 294.315 -1.753 20 0 CAADMN Cc1cc(CC(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)[nH]n1 ZINC001012015328 657120313 /nfs/dbraw/zinc/12/03/13/657120313.db2.gz KNYJPKZMRMBJLU-PSASIEDQSA-N 0 1 293.327 -1.148 20 0 CAADMN CN(CCCNC(=O)C(N)=O)c1ncnc2[nH]cnc21 ZINC001095719108 782190412 /nfs/dbraw/zinc/19/04/12/782190412.db2.gz POEDSNODBIOCCO-UHFFFAOYSA-N 0 1 277.288 -1.219 20 0 CAADMN C[C@H]1[C@H](NC(=O)c2cnn[nH]2)CCN1C(=O)C(N)=O ZINC001012024105 657121637 /nfs/dbraw/zinc/12/16/37/657121637.db2.gz UVFUCKRVROZRMW-NTSWFWBYSA-N 0 1 266.261 -1.991 20 0 CAADMN C[C@H]1[C@H](NC(=O)Cc2cnc[nH]2)CCN1C(=O)C(N)=O ZINC001012026348 657122020 /nfs/dbraw/zinc/12/20/20/657122020.db2.gz UDPBCEBNIRKSOD-IONNQARKSA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001012102549 657123328 /nfs/dbraw/zinc/12/33/28/657123328.db2.gz QQPVVAANBPXBDD-CBAPKCEASA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001012102551 657123872 /nfs/dbraw/zinc/12/38/72/657123872.db2.gz QQPVVAANBPXBDD-IONNQARKSA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCc1c[nH]nn1 ZINC001012078846 657124318 /nfs/dbraw/zinc/12/43/18/657124318.db2.gz NFCPHVVMLRZHDD-VXNVDRBHSA-N 0 1 294.315 -1.672 20 0 CAADMN C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCc1cnn[nH]1 ZINC001012078846 657124327 /nfs/dbraw/zinc/12/43/27/657124327.db2.gz NFCPHVVMLRZHDD-VXNVDRBHSA-N 0 1 294.315 -1.672 20 0 CAADMN Cc1ncc(C(=O)N2C[C@H](NC(=O)C(N)=O)C[C@H]2C)[nH]1 ZINC001012388720 657126288 /nfs/dbraw/zinc/12/62/88/657126288.db2.gz DDQYGFJXIOHICV-HTRCEHHLSA-N 0 1 279.300 -1.077 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)c1ccn[nH]1 ZINC001012332566 657126882 /nfs/dbraw/zinc/12/68/82/657126882.db2.gz JGZKUPQVDODFOY-RNFRBKRXSA-N 0 1 265.273 -1.386 20 0 CAADMN Cc1ncc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@H]2C)[nH]1 ZINC001012388722 657127139 /nfs/dbraw/zinc/12/71/39/657127139.db2.gz DDQYGFJXIOHICV-SVRRBLITSA-N 0 1 279.300 -1.077 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)CN1C(=O)CC(N)=O ZINC001012409553 657127163 /nfs/dbraw/zinc/12/71/63/657127163.db2.gz SPVVKENIJHPTLB-HTQZYQBOSA-N 0 1 294.315 -1.672 20 0 CAADMN C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1ccn[nH]1 ZINC001012425137 657128297 /nfs/dbraw/zinc/12/82/97/657128297.db2.gz KGEANXRRFYCAJH-CBAPKCEASA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)c2cnn[nH]2)CN1C(=O)CC(N)=O ZINC001012416832 657128747 /nfs/dbraw/zinc/12/87/47/657128747.db2.gz JZYPVFITJHOPSD-RQJHMYQMSA-N 0 1 280.288 -1.601 20 0 CAADMN C[C@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)CN1C(=O)CC(N)=O ZINC001012411355 657129014 /nfs/dbraw/zinc/12/90/14/657129014.db2.gz FVYDSSGVOOEUDG-WCBMZHEXSA-N 0 1 293.327 -1.067 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCc1cnc[nH]1 ZINC001012923897 657132019 /nfs/dbraw/zinc/13/20/19/657132019.db2.gz QIXNOYHYMJWEQF-PSASIEDQSA-N 0 1 293.327 -1.067 20 0 CAADMN C[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)CN1C(=O)c1cn[nH]n1 ZINC001013151028 657132954 /nfs/dbraw/zinc/13/29/54/657132954.db2.gz XOXFWEHOHQQMLH-NKWVEPMBSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@H]1C[C@H](NC(=O)c2ncn[nH]2)CN1C(=O)c1cn[nH]n1 ZINC001013139434 657133130 /nfs/dbraw/zinc/13/31/30/657133130.db2.gz CYTAZNDNZWSJCE-BQBZGAKWSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@H]1C[C@H](NC(=O)c2nc[nH]n2)CN1C(=O)c1cn[nH]n1 ZINC001013139434 657133134 /nfs/dbraw/zinc/13/31/34/657133134.db2.gz CYTAZNDNZWSJCE-BQBZGAKWSA-N 0 1 290.287 -1.044 20 0 CAADMN Cc1nn[nH]c1C(=O)N1C[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC001013541089 657134863 /nfs/dbraw/zinc/13/48/63/657134863.db2.gz DTKPACRQVMHNNB-CAHLUQPWSA-N 0 1 280.288 -1.682 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)c2ncn[nH]2)CN1C(=O)c1nc[nH]n1 ZINC001013652191 657135776 /nfs/dbraw/zinc/13/57/76/657135776.db2.gz JJOWBIPXCFVEGV-RQJHMYQMSA-N 0 1 290.287 -1.044 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)c2nc[nH]n2)CN1C(=O)c1nc[nH]n1 ZINC001013652191 657135782 /nfs/dbraw/zinc/13/57/82/657135782.db2.gz JJOWBIPXCFVEGV-RQJHMYQMSA-N 0 1 290.287 -1.044 20 0 CAADMN Cc1cc(CC(=O)N[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)[nH]n1 ZINC001013961343 657140359 /nfs/dbraw/zinc/14/03/59/657140359.db2.gz YQHWJDNBFQYAAT-WCBMZHEXSA-N 0 1 293.327 -1.148 20 0 CAADMN Cc1cc(CC(=O)N[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)[nH]n1 ZINC001013961344 657140601 /nfs/dbraw/zinc/14/06/01/657140601.db2.gz YQHWJDNBFQYAAT-WPRPVWTQSA-N 0 1 293.327 -1.148 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)CN2CCCC2)CN1C(=O)C(N)=O ZINC001013977754 657141996 /nfs/dbraw/zinc/14/19/96/657141996.db2.gz WIHBSVQZYUUUIG-ZJUUUORDSA-N 0 1 282.344 -1.327 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)c2cnn[nH]2)CN1C(=O)C(N)=O ZINC001013988099 657142455 /nfs/dbraw/zinc/14/24/55/657142455.db2.gz BBFWLBBCGYVJOM-RITPCOANSA-N 0 1 266.261 -1.991 20 0 CAADMN NC(=O)C(=O)N1CC[C@@]2(NC(=O)c3ncn[nH]3)CCC[C@H]12 ZINC001014396327 657142994 /nfs/dbraw/zinc/14/29/94/657142994.db2.gz MCJJXTZEKPEGGT-MADCSZMMSA-N 0 1 292.299 -1.457 20 0 CAADMN NC(=O)C(=O)N1CC[C@@]2(NC(=O)c3nc[nH]n3)CCC[C@H]12 ZINC001014396327 657143006 /nfs/dbraw/zinc/14/30/06/657143006.db2.gz MCJJXTZEKPEGGT-MADCSZMMSA-N 0 1 292.299 -1.457 20 0 CAADMN CNC(=O)[C@H](C)N1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001014392282 657143376 /nfs/dbraw/zinc/14/33/76/657143376.db2.gz DORFZOQLWMOBJZ-WCBMZHEXSA-N 0 1 294.359 -1.019 20 0 CAADMN NC(=O)C(=O)N1CC[C@@]2(NC(=O)c3cnn[nH]3)CCC[C@H]12 ZINC001014332598 657143411 /nfs/dbraw/zinc/14/34/11/657143411.db2.gz IQFSBJIULNUDNG-UFBFGSQYSA-N 0 1 292.299 -1.457 20 0 CAADMN CNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001014392271 657143603 /nfs/dbraw/zinc/14/36/03/657143603.db2.gz DORFZOQLWMOBJZ-PSASIEDQSA-N 0 1 294.359 -1.019 20 0 CAADMN Cc1nc(CC(=O)N[C@@H]2CCN([C@@H]3CCNC3=O)C2)n[nH]1 ZINC001014392206 657143629 /nfs/dbraw/zinc/14/36/29/657143629.db2.gz DICYCJDAAHKFQR-NXEZZACHSA-N 0 1 292.343 -1.265 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH]cn1 ZINC001014101997 657143706 /nfs/dbraw/zinc/14/37/06/657143706.db2.gz GJFFDEZETYYWPA-APPZFPTMSA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH]cn1 ZINC001014102000 657143799 /nfs/dbraw/zinc/14/37/99/657143799.db2.gz GJFFDEZETYYWPA-VXNVDRBHSA-N 0 1 279.300 -1.457 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCc1c[nH]nn1 ZINC001014075968 657144173 /nfs/dbraw/zinc/14/41/73/657144173.db2.gz BCRMMZONHRXBHQ-VXNVDRBHSA-N 0 1 294.315 -1.672 20 0 CAADMN C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCc1cnn[nH]1 ZINC001014075968 657144181 /nfs/dbraw/zinc/14/41/81/657144181.db2.gz BCRMMZONHRXBHQ-VXNVDRBHSA-N 0 1 294.315 -1.672 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCc1c[nH]nn1 ZINC001014075965 657144269 /nfs/dbraw/zinc/14/42/69/657144269.db2.gz BCRMMZONHRXBHQ-APPZFPTMSA-N 0 1 294.315 -1.672 20 0 CAADMN C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCc1cnn[nH]1 ZINC001014075965 657144272 /nfs/dbraw/zinc/14/42/72/657144272.db2.gz BCRMMZONHRXBHQ-APPZFPTMSA-N 0 1 294.315 -1.672 20 0 CAADMN C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH]cn1 ZINC001014101998 657144287 /nfs/dbraw/zinc/14/42/87/657144287.db2.gz GJFFDEZETYYWPA-CBAPKCEASA-N 0 1 279.300 -1.457 20 0 CAADMN CNC(=O)[C@H](C)N1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001014392284 657144425 /nfs/dbraw/zinc/14/44/25/657144425.db2.gz DORFZOQLWMOBJZ-WPRPVWTQSA-N 0 1 294.359 -1.019 20 0 CAADMN Cc1nc(CC(=O)N[C@H]2CCN([C@H](C)C(N)=O)C2)n[nH]1 ZINC001014394776 657144730 /nfs/dbraw/zinc/14/47/30/657144730.db2.gz LIHRUQXIEHESKC-APPZFPTMSA-N 0 1 280.332 -1.280 20 0 CAADMN O=C(Cn1ncnn1)N[C@H]1CCN(CCn2cccn2)C1 ZINC001014428593 657146461 /nfs/dbraw/zinc/14/64/61/657146461.db2.gz LKWRWHGFVDPXHC-NSHDSACASA-N 0 1 290.331 -1.240 20 0 CAADMN CN1C[C@@H](C(=O)N[C@@H]2CCN(CCO)C2)CC1=O ZINC001014638840 657150839 /nfs/dbraw/zinc/15/08/39/657150839.db2.gz WMCCXNFKPKKENO-VHSXEESVSA-N 0 1 255.318 -1.353 20 0 CAADMN COCCN1C[C@@H](C(=O)N[C@@H]2CCN(CCO)C2)CC1=O ZINC001014639305 657150998 /nfs/dbraw/zinc/15/09/98/657150998.db2.gz XJQHLRHPMDQDFM-NWDGAFQWSA-N 0 1 299.371 -1.336 20 0 CAADMN C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCN(CCO)C1 ZINC001014794013 657154449 /nfs/dbraw/zinc/15/44/49/657154449.db2.gz YLBSMXMUWLKQTJ-AXFHLTTASA-N 0 1 258.318 -1.027 20 0 CAADMN O=C(N[C@H]1CCN(CCO)C1)[C@@H]1CCCNC1=O ZINC001014823103 657156436 /nfs/dbraw/zinc/15/64/36/657156436.db2.gz HOLQSBOZVUXWCU-VHSXEESVSA-N 0 1 255.318 -1.305 20 0 CAADMN O=C(N[C@@H]1CCN(CCO)C1)[C@@H]1CCCNC1=O ZINC001014823095 657156551 /nfs/dbraw/zinc/15/65/51/657156551.db2.gz HOLQSBOZVUXWCU-NXEZZACHSA-N 0 1 255.318 -1.305 20 0 CAADMN CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(CCO)C1 ZINC001015026934 657158727 /nfs/dbraw/zinc/15/87/27/657158727.db2.gz VCSVMVOUDWCNAG-VXGBXAGGSA-N 0 1 271.361 -1.110 20 0 CAADMN C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110764 657160563 /nfs/dbraw/zinc/16/05/63/657160563.db2.gz WEVAVSWSXWHEBE-RQJHMYQMSA-N 0 1 283.288 -1.532 20 0 CAADMN Cn1cc(CN2CC[C@@H](NC(=O)c3cnn[nH]3)C2)nn1 ZINC001015065460 657160672 /nfs/dbraw/zinc/16/06/72/657160672.db2.gz FFQPWNZEYYDBGM-MRVPVSSYSA-N 0 1 276.304 -1.063 20 0 CAADMN CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC001015061621 657160978 /nfs/dbraw/zinc/16/09/78/657160978.db2.gz OTGGWIPVQXDJLX-IONNQARKSA-N 0 1 266.305 -1.127 20 0 CAADMN Cn1ncnc1CN1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001015068122 657161059 /nfs/dbraw/zinc/16/10/59/657161059.db2.gz UFYMIDTUGZDSJI-MRVPVSSYSA-N 0 1 276.304 -1.063 20 0 CAADMN C[C@@H](c1nnnn1C)N1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001015065631 657161234 /nfs/dbraw/zinc/16/12/34/657161234.db2.gz GNNMFWYWIVYGNF-JGVFFNPUSA-N 0 1 291.319 -1.107 20 0 CAADMN C[C@H]1[C@@H](NC(=O)c2cnn[nH]2)CCCN1C(=O)C(N)=O ZINC001015061136 657161387 /nfs/dbraw/zinc/16/13/87/657161387.db2.gz UJNATUSYYSPSMG-BQBZGAKWSA-N 0 1 280.288 -1.601 20 0 CAADMN O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnn[n-]1 ZINC001015066615 657161436 /nfs/dbraw/zinc/16/14/36/657161436.db2.gz LEIANFGWJHBGLY-VXNVDRBHSA-N 0 1 292.299 -1.586 20 0 CAADMN Cn1nnc(CN2CC[C@H](NC(=O)c3cnn[nH]3)C2)n1 ZINC001015062197 657161919 /nfs/dbraw/zinc/16/19/19/657161919.db2.gz QHJXLPZHUFUUSX-ZETCQYMHSA-N 0 1 277.292 -1.668 20 0 CAADMN CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn[n-]3)C2)C1=O ZINC001015062070 657162344 /nfs/dbraw/zinc/16/23/44/657162344.db2.gz PJXWMMNVTWBINS-SCZZXKLOSA-N 0 1 278.316 -1.161 20 0 CAADMN Cn1ncnc1CN1CC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001015068123 657162523 /nfs/dbraw/zinc/16/25/23/657162523.db2.gz UFYMIDTUGZDSJI-QMMMGPOBSA-N 0 1 276.304 -1.063 20 0 CAADMN NC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(CCO)C2)C1 ZINC001015163162 657163239 /nfs/dbraw/zinc/16/32/39/657163239.db2.gz CQIOSQHIWPLQLL-MNOVXSKESA-N 0 1 284.360 -1.040 20 0 CAADMN C[C@@H]1[C@H](NC(=O)c2ncn[nH]2)CCCN1C(=O)C(N)=O ZINC001015126367 657163521 /nfs/dbraw/zinc/16/35/21/657163521.db2.gz BPHFSELRJPKXSU-RNFRBKRXSA-N 0 1 280.288 -1.601 20 0 CAADMN C[C@@H]1[C@H](NC(=O)c2nc[nH]n2)CCCN1C(=O)C(N)=O ZINC001015126367 657163524 /nfs/dbraw/zinc/16/35/24/657163524.db2.gz BPHFSELRJPKXSU-RNFRBKRXSA-N 0 1 280.288 -1.601 20 0 CAADMN NC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(CCO)C2)C1 ZINC001015163164 657164030 /nfs/dbraw/zinc/16/40/30/657164030.db2.gz CQIOSQHIWPLQLL-QWRGUYRKSA-N 0 1 284.360 -1.040 20 0 CAADMN C[C@H]1[C@@H](NC(=O)c2ncn[nH]2)CCCN1C(=O)C(N)=O ZINC001015126365 657164341 /nfs/dbraw/zinc/16/43/41/657164341.db2.gz BPHFSELRJPKXSU-BQBZGAKWSA-N 0 1 280.288 -1.601 20 0 CAADMN C[C@H]1[C@@H](NC(=O)c2nc[nH]n2)CCCN1C(=O)C(N)=O ZINC001015126365 657164347 /nfs/dbraw/zinc/16/43/47/657164347.db2.gz BPHFSELRJPKXSU-BQBZGAKWSA-N 0 1 280.288 -1.601 20 0 CAADMN NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(CCO)C2)C1 ZINC001015163131 657164502 /nfs/dbraw/zinc/16/45/02/657164502.db2.gz CQIOSQHIWPLQLL-GHMZBOCLSA-N 0 1 284.360 -1.040 20 0 CAADMN Cc1nn[nH]c1C(=O)N1CCC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC001015188724 657164905 /nfs/dbraw/zinc/16/49/05/657164905.db2.gz KEVIHXCJDMJYPH-HTQZYQBOSA-N 0 1 294.315 -1.292 20 0 CAADMN Cc1nn[nH]c1C(=O)N1CCC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC001015188728 657166273 /nfs/dbraw/zinc/16/62/73/657166273.db2.gz KEVIHXCJDMJYPH-YUMQZZPRSA-N 0 1 294.315 -1.292 20 0 CAADMN C[C@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1ncn[nH]1 ZINC001015195303 657166434 /nfs/dbraw/zinc/16/64/34/657166434.db2.gz RQYRRKSOVDQVTP-YUMQZZPRSA-N 0 1 294.315 -1.672 20 0 CAADMN O=C(N[C@H]1CCN(CCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001015369666 657166618 /nfs/dbraw/zinc/16/66/18/657166618.db2.gz WMZXMEUZVJFUQB-ONGXEEELSA-N 0 1 293.327 -1.452 20 0 CAADMN C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015489024 657167643 /nfs/dbraw/zinc/16/76/43/657167643.db2.gz VMIDEYNHRRXJGL-IUCAKERBSA-N 0 1 296.327 -1.329 20 0 CAADMN C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015489030 657167864 /nfs/dbraw/zinc/16/78/64/657167864.db2.gz VMIDEYNHRRXJGL-RKDXNWHRSA-N 0 1 296.327 -1.329 20 0 CAADMN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCN(CCO)C2)N(C(C)=O)C1 ZINC001015403213 657167999 /nfs/dbraw/zinc/16/79/99/657167999.db2.gz CCUDLFUAJABWTE-FRRDWIJNSA-N 0 1 299.371 -1.195 20 0 CAADMN CN1C[C@H](C(=O)N[C@@H]2CCN(CCO)C2)NC1=O ZINC001015507093 657169374 /nfs/dbraw/zinc/16/93/74/657169374.db2.gz BGROIGQWXJIWGC-RKDXNWHRSA-N 0 1 256.306 -1.807 20 0 CAADMN CN1C[C@@H](C(=O)N[C@H]2CCN(CCO)C2)NC1=O ZINC001015507090 657169817 /nfs/dbraw/zinc/16/98/17/657169817.db2.gz BGROIGQWXJIWGC-IUCAKERBSA-N 0 1 256.306 -1.807 20 0 CAADMN Cn1c(C(=O)N[C@H]2CCN(CCO)C2)c[nH]c1=O ZINC001015515733 657169864 /nfs/dbraw/zinc/16/98/64/657169864.db2.gz XQOOEPNHHFVROE-QMMMGPOBSA-N 0 1 254.290 -1.078 20 0 CAADMN Cn1c(C(=O)N[C@@H]2CCN(CCO)C2)c[nH]c1=O ZINC001015515732 657170595 /nfs/dbraw/zinc/17/05/95/657170595.db2.gz XQOOEPNHHFVROE-MRVPVSSYSA-N 0 1 254.290 -1.078 20 0 CAADMN CN1C[C@H](C(=O)N[C@H]2CCN(CCO)C2)NC1=O ZINC001015507085 657170790 /nfs/dbraw/zinc/17/07/90/657170790.db2.gz BGROIGQWXJIWGC-DTWKUNHWSA-N 0 1 256.306 -1.807 20 0 CAADMN Cc1nc(CN2CC[C@H](NC(=O)c3nnn(C)n3)C2)n[nH]1 ZINC001015548204 657171795 /nfs/dbraw/zinc/17/17/95/657171795.db2.gz BBWCZWCDTZMSFD-QMMMGPOBSA-N 0 1 291.319 -1.359 20 0 CAADMN CN1CC[C@H](C(=O)N[C@@H]2CCN(CCO)C2)C1=O ZINC001015569043 657174434 /nfs/dbraw/zinc/17/44/34/657174434.db2.gz QWWLXPHROOKINA-NXEZZACHSA-N 0 1 255.318 -1.353 20 0 CAADMN CN1CC[C@H](C(=O)N[C@H]2CCN(CCO)C2)C1=O ZINC001015569045 657175502 /nfs/dbraw/zinc/17/55/02/657175502.db2.gz QWWLXPHROOKINA-VHSXEESVSA-N 0 1 255.318 -1.353 20 0 CAADMN NC(=O)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001015557041 657175554 /nfs/dbraw/zinc/17/55/54/657175554.db2.gz CQQWZDCKEDFYGS-RQJHMYQMSA-N 0 1 280.288 -1.695 20 0 CAADMN C[C@H](O)CN1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015555164 657175736 /nfs/dbraw/zinc/17/57/36/657175736.db2.gz TVKUJAHFHYMVCY-JGVFFNPUSA-N 0 1 254.294 -1.605 20 0 CAADMN CN1CC[C@@H](C(=O)N[C@@H]2CCN(CCO)C2)C1=O ZINC001015569046 657175840 /nfs/dbraw/zinc/17/58/40/657175840.db2.gz QWWLXPHROOKINA-ZJUUUORDSA-N 0 1 255.318 -1.353 20 0 CAADMN C[C@@H](O)CN1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015555163 657175949 /nfs/dbraw/zinc/17/59/49/657175949.db2.gz TVKUJAHFHYMVCY-HTQZYQBOSA-N 0 1 254.294 -1.605 20 0 CAADMN O=C(N[C@H]1CCN(CCO)C1)c1c[nH]c(=O)cn1 ZINC001015622945 657177105 /nfs/dbraw/zinc/17/71/05/657177105.db2.gz MJJAWLUCKUJDLE-QMMMGPOBSA-N 0 1 252.274 -1.434 20 0 CAADMN COCCN1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015633356 657177437 /nfs/dbraw/zinc/17/74/37/657177437.db2.gz FXGIWVAPFCCYER-IUCAKERBSA-N 0 1 256.306 -1.495 20 0 CAADMN COCCN1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015633357 657177952 /nfs/dbraw/zinc/17/79/52/657177952.db2.gz FXGIWVAPFCCYER-RKDXNWHRSA-N 0 1 256.306 -1.495 20 0 CAADMN Cn1ccc(CN2CC[C@@H](NC(=O)C(N)=O)C2)cc1=O ZINC001015636868 657179731 /nfs/dbraw/zinc/17/97/31/657179731.db2.gz DTRAYMVEDQHBSI-SNVBAGLBSA-N 0 1 278.312 -1.439 20 0 CAADMN Cc1nc(CN2CC[C@H](NC(=O)C(N)=O)C2)n[nH]1 ZINC001015639553 657181197 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780477160 /nfs/dbraw/zinc/47/71/60/780477160.db2.gz IHNQDBCFNAIIPJ-VHSXEESVSA-N 0 1 283.332 -1.103 20 0 CAADMN CN(CCCNC(=O)[C@@H]1COCCO1)[C@@H]1CCNC1=O ZINC001234224305 780479578 /nfs/dbraw/zinc/47/95/78/780479578.db2.gz IQDFHKWARWUGMX-MNOVXSKESA-N 0 1 285.344 -1.272 20 0 CAADMN COC[C@@H](O)CN1CC[C@H]1CN(C)C(=O)c1ncn(C)n1 ZINC001234068474 780478167 /nfs/dbraw/zinc/47/81/67/780478167.db2.gz MABBXFFARVBPIF-QWRGUYRKSA-N 0 1 297.359 -1.031 20 0 CAADMN COC[C@H](O)CN1CC[C@H]1CN(C)C(=O)c1ncn(C)n1 ZINC001234068475 780478418 /nfs/dbraw/zinc/47/84/18/780478418.db2.gz MABBXFFARVBPIF-WDEREUQCSA-N 0 1 297.359 -1.031 20 0 CAADMN C[C@@H](C(N)=O)N(C)CCCNC(=O)CCn1cncn1 ZINC001234020030 780478487 /nfs/dbraw/zinc/47/84/87/780478487.db2.gz LTRXGDBPDBMLHS-JTQLQIEISA-N 0 1 282.348 -1.020 20 0 CAADMN COC[C@@H](O)CN1CC[C@H]1CN(C)C(=O)c1cnnn1C ZINC001233989850 780478552 /nfs/dbraw/zinc/47/85/52/780478552.db2.gz FIUYJDRPLRMHKT-QWRGUYRKSA-N 0 1 297.359 -1.031 20 0 CAADMN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H]1CCN1CCO 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272.349 -1.223 20 0 CAADMN CNC(=O)CN(C)CCCNC(=O)CN(C)C(C)=O ZINC001234161126 780480465 /nfs/dbraw/zinc/48/04/65/780480465.db2.gz ATAHOMBAVUODDL-UHFFFAOYSA-N 0 1 272.349 -1.351 20 0 CAADMN C[C@@H](CC(=O)N(C)C[C@H]1CCN1CCO)NC(N)=O ZINC001234287095 780481144 /nfs/dbraw/zinc/48/11/44/780481144.db2.gz QBKZBOAMTFDAGE-VHSXEESVSA-N 0 1 272.349 -1.042 20 0 CAADMN CN(C[C@@H]1CCN1CCOCCO)C(=O)Cn1ncnn1 ZINC001234356375 780481164 /nfs/dbraw/zinc/48/11/64/780481164.db2.gz IMBKFVXLKYXSFQ-NSHDSACASA-N 0 1 298.347 -1.785 20 0 CAADMN CN(C[C@H]1CCN1CCOCCO)C(=O)Cn1ncnn1 ZINC001234356374 780481194 /nfs/dbraw/zinc/48/11/94/780481194.db2.gz IMBKFVXLKYXSFQ-LLVKDONJSA-N 0 1 298.347 -1.785 20 0 CAADMN CNC(=O)NC(=O)CN(C)CCCNC(=O)c1ccn[nH]1 ZINC001234243475 780481267 /nfs/dbraw/zinc/48/12/67/780481267.db2.gz IQPNPWGDPGJAQG-UHFFFAOYSA-N 0 1 296.331 -1.083 20 0 CAADMN COC[C@H](O)CN1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234358236 780481297 /nfs/dbraw/zinc/48/12/97/780481297.db2.gz XAQXQOKNVUCNBB-GHMZBOCLSA-N 0 1 298.347 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299.331 -1.136 20 0 CAADMN C[N@@H+](CCCNC(=O)[C@@H]1COCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001234226900 780481642 /nfs/dbraw/zinc/48/16/42/780481642.db2.gz ZWUNDWHJWRFTFQ-VIFPVBQESA-N 0 1 299.331 -1.136 20 0 CAADMN COC[C@H](O)CN1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234358239 780482106 /nfs/dbraw/zinc/48/21/06/780482106.db2.gz XAQXQOKNVUCNBB-WDEREUQCSA-N 0 1 298.347 -1.787 20 0 CAADMN C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C2 ZINC001234372336 780483053 /nfs/dbraw/zinc/48/30/53/780483053.db2.gz DBIPREAMJIEKAV-JIGDXULJSA-N 0 1 293.275 -1.287 20 0 CAADMN C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C2 ZINC001234372336 780483058 /nfs/dbraw/zinc/48/30/58/780483058.db2.gz DBIPREAMJIEKAV-JIGDXULJSA-N 0 1 293.275 -1.287 20 0 CAADMN C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C2 ZINC001234372344 780483169 /nfs/dbraw/zinc/48/31/69/780483169.db2.gz DBIPREAMJIEKAV-RNLVFQAGSA-N 0 1 293.275 -1.287 20 0 CAADMN 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CC(C)NC(=O)CN[C@H](CO)CNC(=O)c1ccn(C)n1 ZINC001382270822 888322108 /nfs/dbraw/zinc/32/21/08/888322108.db2.gz DSIXZGGKOGBHSM-JTQLQIEISA-N 0 1 297.359 -1.375 20 0 CAADMN CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)Cc1[nH]cnc1C ZINC001382271728 888322673 /nfs/dbraw/zinc/32/26/73/888322673.db2.gz FCDARHDYYCVYKV-VHSXEESVSA-N 0 1 297.359 -1.538 20 0 CAADMN O=C(CCc1c[nH]nn1)N[C@H](CO)CNC(=O)C1CC1 ZINC001382277212 888323413 /nfs/dbraw/zinc/32/34/13/888323413.db2.gz XLPHZAMPZUQQFE-JTQLQIEISA-N 0 1 281.316 -1.259 20 0 CAADMN O=C(CCc1cnn[nH]1)N[C@H](CO)CNC(=O)C1CC1 ZINC001382277212 888323429 /nfs/dbraw/zinc/32/34/29/888323429.db2.gz XLPHZAMPZUQQFE-JTQLQIEISA-N 0 1 281.316 -1.259 20 0 CAADMN CNC(=O)CN[C@H](CO)CNC(=O)C[C@@H]1CCCOC1 ZINC001382274934 888323717 /nfs/dbraw/zinc/32/37/17/888323717.db2.gz QOQZRFSRKPLEAY-QWRGUYRKSA-N 0 1 287.360 -1.384 20 0 CAADMN CCc1ncncc1C(=O)NC[C@H](CO)N[C@H](C)C(N)=O ZINC001382274279 888324900 /nfs/dbraw/zinc/32/49/00/888324900.db2.gz OXDURDZYZZFXJL-RKDXNWHRSA-N 0 1 295.343 -1.407 20 0 CAADMN O=C(CCc1c[nH]nn1)N[C@@H](CO)CNC(=O)C1CC1 ZINC001382277213 888325101 /nfs/dbraw/zinc/32/51/01/888325101.db2.gz XLPHZAMPZUQQFE-SNVBAGLBSA-N 0 1 281.316 -1.259 20 0 CAADMN Cc1ccc(CC(=O)NC[C@@H](CO)NCC(N)=O)cn1 ZINC001382274921 888325553 /nfs/dbraw/zinc/32/55/53/888325553.db2.gz QKAQUDJDCPDRNC-NSHDSACASA-N 0 1 280.328 -1.515 20 0 CAADMN CCn1nc(C)c(C(=O)NC[C@H](CO)NCC(N)=O)n1 ZINC001382287662 888327353 /nfs/dbraw/zinc/32/73/53/888327353.db2.gz NFFQPEGQGSOUOA-MRVPVSSYSA-N 0 1 284.320 -2.228 20 0 CAADMN Cn1nccc1CN[C@@H](CO)CNC(=O)CCNC(N)=O ZINC001382282516 888327388 /nfs/dbraw/zinc/32/73/88/888327388.db2.gz KIZSZWNGPRULQU-SECBINFHSA-N 0 1 298.347 -1.955 20 0 CAADMN CCOCC(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001382286775 888327443 /nfs/dbraw/zinc/32/74/43/888327443.db2.gz CHICLRRSLBWVFP-QMMMGPOBSA-N 0 1 285.304 -2.023 20 0 CAADMN COc1c(C(=O)NC[C@@H](CO)N[C@@H](C)C(N)=O)cnn1C ZINC001382278651 888327464 /nfs/dbraw/zinc/32/74/64/888327464.db2.gz QUBCLEMFQQDBKT-YUMQZZPRSA-N 0 1 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/nfs/dbraw/zinc/33/29/55/888332955.db2.gz RJNISBFVOSSKOT-BDAKNGLRSA-N 0 1 297.315 -1.663 20 0 CAADMN O=C(CN1CCCC1)N[C@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001382299523 888333085 /nfs/dbraw/zinc/33/30/85/888333085.db2.gz XYSNFJWQPMDJCX-NWDGAFQWSA-N 0 1 299.371 -1.146 20 0 CAADMN Cc1nc[nH]c1C(=O)NC[C@@H](CO)NCC(=O)N1CCC1 ZINC001382295224 888333906 /nfs/dbraw/zinc/33/39/06/888333906.db2.gz YUTGXFVIXSMDPH-JTQLQIEISA-N 0 1 295.343 -1.369 20 0 CAADMN CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1[nH]ncc1F ZINC001382339773 888334905 /nfs/dbraw/zinc/33/49/05/888334905.db2.gz FTLXHZBXUHBGCF-RQJHMYQMSA-N 0 1 288.279 -1.209 20 0 CAADMN CS[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001382325705 888335520 /nfs/dbraw/zinc/33/55/20/888335520.db2.gz FGEYMZLILMQZBQ-BQBZGAKWSA-N 0 1 287.345 -1.237 20 0 CAADMN CS[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001382325716 888335899 /nfs/dbraw/zinc/33/58/99/888335899.db2.gz FGEYMZLILMQZBQ-RQJHMYQMSA-N 0 1 287.345 -1.237 20 0 CAADMN O=C(N[C@H](CO)CNC(=O)C1=COCCC1)c1cnn[nH]1 ZINC001382355247 888338837 /nfs/dbraw/zinc/33/88/37/888338837.db2.gz FUNDXENMMKMXJT-VIFPVBQESA-N 0 1 295.299 -1.294 20 0 CAADMN CCOCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCN1C ZINC001382368331 888339062 /nfs/dbraw/zinc/33/90/62/888339062.db2.gz LIDXWPBZJAEGLF-QWRGUYRKSA-N 0 1 287.360 -1.290 20 0 CAADMN CCOCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCN1C ZINC001382368328 888339304 /nfs/dbraw/zinc/33/93/04/888339304.db2.gz LIDXWPBZJAEGLF-MNOVXSKESA-N 0 1 287.360 -1.290 20 0 CAADMN CN1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnco1 ZINC001382370201 888339433 /nfs/dbraw/zinc/33/94/33/888339433.db2.gz QXDAMERGSGSZDG-NXEZZACHSA-N 0 1 296.327 -1.024 20 0 CAADMN C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[n-]1 ZINC001382365782 888339922 /nfs/dbraw/zinc/33/99/22/888339922.db2.gz FDKDEXUVBYQYHG-WCBMZHEXSA-N 0 1 296.331 -1.894 20 0 CAADMN O=C(NC[C@H](CO)NC(=O)c1ncn[nH]1)c1cscn1 ZINC001382368107 888340978 /nfs/dbraw/zinc/34/09/78/888340978.db2.gz YPXNUCOAIRECRR-ZCFIWIBFSA-N 0 1 296.312 -1.218 20 0 CAADMN O=C(NC[C@H](CO)NC(=O)c1nc[nH]n1)c1cscn1 ZINC001382368107 888340992 /nfs/dbraw/zinc/34/09/92/888340992.db2.gz YPXNUCOAIRECRR-ZCFIWIBFSA-N 0 1 296.312 -1.218 20 0 CAADMN C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[n-]1 ZINC001382365772 888341055 /nfs/dbraw/zinc/34/10/55/888341055.db2.gz FDKDEXUVBYQYHG-PSASIEDQSA-N 0 1 296.331 -1.894 20 0 CAADMN CO[C@H](C)CCC(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001382396613 888347645 /nfs/dbraw/zinc/34/76/45/888347645.db2.gz FJUKRRCKORHGIR-RKDXNWHRSA-N 0 1 299.331 -1.173 20 0 CAADMN CO[C@H](C)CCC(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001382396608 888349163 /nfs/dbraw/zinc/34/91/63/888349163.db2.gz FJUKRRCKORHGIR-BDAKNGLRSA-N 0 1 299.331 -1.173 20 0 CAADMN CCC(=O)N(C)C[C@@H](O)CN(C)[C@H](C)C(=O)NC(N)=O ZINC001382426022 888350977 /nfs/dbraw/zinc/35/09/77/888350977.db2.gz AIFHIKREJVKPFI-BDAKNGLRSA-N 0 1 288.348 -1.269 20 0 CAADMN COCC(=O)N(C)C[C@H](O)CN(C)[C@H]1CCCNC1=O ZINC001382434291 888357521 /nfs/dbraw/zinc/35/75/21/888357521.db2.gz 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O=C(NC/C=C/CN[C@H]1CCNC1=O)[C@H]1COCCO1 ZINC001482982157 892719553 /nfs/dbraw/zinc/71/95/53/892719553.db2.gz WNROWWPVWAIXJY-ATOIVCMTSA-N 0 1 283.328 -1.448 20 0 CAADMN CCN(CCNCC(N)=O)C(=O)[C@H](C)CS(C)(=O)=O ZINC001482971041 892719949 /nfs/dbraw/zinc/71/99/49/892719949.db2.gz SSVUQDUAGJNRMK-SECBINFHSA-N 0 1 293.389 -1.410 20 0 CAADMN CN1CC[C@@H](C(=O)NC/C=C\CNCC(N)=O)CC1=O ZINC001483026171 892721260 /nfs/dbraw/zinc/72/12/60/892721260.db2.gz HVTUSHNXSRGILC-MXQLGCADSA-N 0 1 282.344 -1.398 20 0 CAADMN Cn1nncc1CNC/C=C/CNC(=O)CC(N)=O ZINC001482992199 892721792 /nfs/dbraw/zinc/72/17/92/892721792.db2.gz DAYFPESNXSOTMN-NSCUHMNNSA-N 0 1 266.305 -1.548 20 0 CAADMN O=C(NC/C=C\CN[C@H]1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001483028024 892721844 /nfs/dbraw/zinc/72/18/44/892721844.db2.gz KWMUHJNTUBZCTR-SYCYMAOGSA-N 0 1 294.355 -1.337 20 0 CAADMN COC(=O)NCC(=O)NC/C=C/CNCC(=O)NC1CC1 ZINC001482989186 892721948 /nfs/dbraw/zinc/72/19/48/892721948.db2.gz JOCWVGOYYCSCPQ-NSCUHMNNSA-N 0 1 298.343 -1.117 20 0 CAADMN C[C@@H]1C[C@H](C(=O)NC/C=C/CNCC(=O)NC(N)=O)CO1 ZINC001483029202 892722132 /nfs/dbraw/zinc/72/21/32/892722132.db2.gz MLXPQJGIZOALOF-NBYFHADBSA-N 0 1 298.343 -1.132 20 0 CAADMN CCNC(=O)CNC/C=C/CNC(=O)CNC(=O)NC ZINC001483015182 892722160 /nfs/dbraw/zinc/72/21/60/892722160.db2.gz GAEAYHSJDGUNOB-SNAWJCMRSA-N 0 1 285.348 -1.687 20 0 CAADMN CN1CC[C@@H](C(=O)NC/C=C/CNCC(N)=O)CC1=O ZINC001483026180 892722334 /nfs/dbraw/zinc/72/23/34/892722334.db2.gz HVTUSHNXSRGILC-VMZHVLLKSA-N 0 1 282.344 -1.398 20 0 CAADMN CO[C@H](C)C(=O)NC/C=C\CNCC(=O)NC(N)=O ZINC001482990372 892722901 /nfs/dbraw/zinc/72/29/01/892722901.db2.gz ZCPXCVNHGNYNET-TUUFMJSCSA-N 0 1 272.305 -1.522 20 0 CAADMN NC(=O)c1ncn(CC(=O)NC/C=C/CNCCF)n1 ZINC001483007520 892723113 /nfs/dbraw/zinc/72/31/13/892723113.db2.gz AZAVTKCOTPVUSA-OWOJBTEDSA-N 0 1 284.295 -1.392 20 0 CAADMN Cn1cc(CNC/C=C/CNC(=O)Cn2ncnn2)cn1 ZINC001483012293 892723131 /nfs/dbraw/zinc/72/31/31/892723131.db2.gz SZGWEWFKCJVZPT-NSCUHMNNSA-N 0 1 290.331 -1.131 20 0 CAADMN 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ZINC001548715881 894496718 /nfs/dbraw/zinc/49/67/18/894496718.db2.gz GYRGTTYCVQUBLV-IJLUTSLNSA-N 0 1 296.371 -1.523 20 0 CAADMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCOC[C@H]1CC(N)=O ZINC001548715881 894496729 /nfs/dbraw/zinc/49/67/29/894496729.db2.gz GYRGTTYCVQUBLV-IJLUTSLNSA-N 0 1 296.371 -1.523 20 0 CAADMN C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H](O)C[C@]1(C)CO ZINC001548731630 894497202 /nfs/dbraw/zinc/49/72/02/894497202.db2.gz OINPTWJFGAJXLR-GFQSEFKGSA-N 0 1 283.372 -1.281 20 0 CAADMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1C[C@@H](O)C[C@]1(C)CO ZINC001548731630 894497211 /nfs/dbraw/zinc/49/72/11/894497211.db2.gz OINPTWJFGAJXLR-GFQSEFKGSA-N 0 1 283.372 -1.281 20 0 CAADMN C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1n[nH]c(=O)n1C ZINC001548727775 894497303 /nfs/dbraw/zinc/49/73/03/894497303.db2.gz DSSBGMTYPANWBM-RKDXNWHRSA-N 0 1 280.332 -1.475 20 0 CAADMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCC1N=NC(=O)N1C ZINC001548727775 894497314 /nfs/dbraw/zinc/49/73/14/894497314.db2.gz DSSBGMTYPANWBM-RKDXNWHRSA-N 0 1 280.332 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/nfs/dbraw/zinc/49/82/02/894498202.db2.gz YASQBFXUKJLJCJ-RKDXNWHRSA-N 0 1 281.316 -1.590 20 0 CAADMN CO[C@](C)(CO)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548727472 894498376 /nfs/dbraw/zinc/49/83/76/894498376.db2.gz WZRWTXQQMGXXGI-LOWVWBTDSA-N 0 1 271.361 -1.112 20 0 CAADMN CO[C@](C)(CO)CNC(=O)[C@H]1CN2CCN1C[C@@H]2C ZINC001548727472 894498384 /nfs/dbraw/zinc/49/83/84/894498384.db2.gz WZRWTXQQMGXXGI-LOWVWBTDSA-N 0 1 271.361 -1.112 20 0 CAADMN C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(CCO)C[C@@H]1C ZINC001548716162 894498547 /nfs/dbraw/zinc/49/85/47/894498547.db2.gz IEXHKZVULJROKR-HZSPNIEDSA-N 0 1 296.415 -1.100 20 0 CAADMN C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@]1(C(N)=O)CCOC1 ZINC001548726667 894498741 /nfs/dbraw/zinc/49/87/41/894498741.db2.gz FKZLSVBCQMNVLZ-NRUUGDAUSA-N 0 1 282.344 -1.865 20 0 CAADMN C[C@@H]1CN2CCN1C[C@H]2C(=O)N[C@@]1(C(N)=O)CCOC1 ZINC001548726667 894498747 /nfs/dbraw/zinc/49/87/47/894498747.db2.gz FKZLSVBCQMNVLZ-NRUUGDAUSA-N 0 1 282.344 -1.865 20 0 CAADMN C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@H](O)C[C@]1(C)CO ZINC001548731631 894498866 /nfs/dbraw/zinc/49/88/66/894498866.db2.gz OINPTWJFGAJXLR-HKUMRIAESA-N 0 1 283.372 -1.281 20 0 CAADMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1C[C@H](O)C[C@]1(C)CO ZINC001548731631 894498881 /nfs/dbraw/zinc/49/88/81/894498881.db2.gz OINPTWJFGAJXLR-HKUMRIAESA-N 0 1 283.372 -1.281 20 0 CAADMN CNC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001548722759 894498959 /nfs/dbraw/zinc/49/89/59/894498959.db2.gz UARBSIINHKJPFY-TUAOUCFPSA-N 0 1 280.372 -1.031 20 0 CAADMN CNC(=O)[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2C[C@@H]3C)C1 ZINC001548722759 894498971 /nfs/dbraw/zinc/49/89/71/894498971.db2.gz UARBSIINHKJPFY-TUAOUCFPSA-N 0 1 280.372 -1.031 20 0 CAADMN C[C@H]1CN2CCN1C[C@@H]2C(=O)NCC(C)(CO)CO ZINC001548710824 894499714 /nfs/dbraw/zinc/49/97/14/894499714.db2.gz MQKGYLLWZNYFIN-WDEREUQCSA-N 0 1 271.361 -1.518 20 0 CAADMN C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H](CO)c1ccnn1C ZINC001548718768 894499212 /nfs/dbraw/zinc/49/92/12/894499212.db2.gz HHLZRNQTQNAZHU-NQBHXWOUSA-N 0 1 293.371 -1.042 20 0 CAADMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N[C@H](CO)c1ccnn1C ZINC001548718768 894499222 /nfs/dbraw/zinc/49/92/22/894499222.db2.gz HHLZRNQTQNAZHU-NQBHXWOUSA-N 0 1 293.371 -1.042 20 0 CAADMN CO[C@](C)(CO)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548727476 894499393 /nfs/dbraw/zinc/49/93/93/894499393.db2.gz WZRWTXQQMGXXGI-WZRBSPASSA-N 0 1 271.361 -1.112 20 0 CAADMN CO[C@](C)(CO)CNC(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001548727476 894499398 /nfs/dbraw/zinc/49/93/98/894499398.db2.gz WZRWTXQQMGXXGI-WZRBSPASSA-N 0 1 271.361 -1.112 20 0 CAADMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NC1COCCOC1 ZINC001548708540 894499436 /nfs/dbraw/zinc/49/94/36/894499436.db2.gz FMOBQQKUHAVCCP-ZYHUDNBSSA-N 0 1 269.345 -1.094 20 0 CAADMN CO[C@](C)(CO)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548727474 894499516 /nfs/dbraw/zinc/49/95/16/894499516.db2.gz WZRWTXQQMGXXGI-MDZLAQPJSA-N 0 1 271.361 -1.112 20 0 CAADMN CO[C@](C)(CO)CNC(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001548727474 894499520 /nfs/dbraw/zinc/49/95/20/894499520.db2.gz WZRWTXQQMGXXGI-MDZLAQPJSA-N 0 1 271.361 -1.112 20 0 CAADMN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CCO1 ZINC001548720981 894499536 /nfs/dbraw/zinc/49/95/36/894499536.db2.gz JJZOEYVAZDVCHZ-VOAKCMCISA-N 0 1 283.372 -1.017 20 0 CAADMN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2CN3CCN2C[C@H]3C)CCO1 ZINC001548720981 894499539 /nfs/dbraw/zinc/49/95/39/894499539.db2.gz JJZOEYVAZDVCHZ-VOAKCMCISA-N 0 1 283.372 -1.017 20 0 CAADMN C[C@H](NC(=O)[C@H]1CN2CCN1C[C@H]2C)C(=O)NCCF ZINC001548700639 894499551 /nfs/dbraw/zinc/49/95/51/894499551.db2.gz AKKJRRKCINANIO-OUAUKWLOSA-N 0 1 286.351 -1.035 20 0 CAADMN C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC2(C1)CNC(=O)O2 ZINC001548723375 894499558 /nfs/dbraw/zinc/49/95/58/894499558.db2.gz MROYOSRWWXXJFA-UWVGGRQHSA-N 0 1 280.328 -1.305 20 0 CAADMN C[C@H]1CN2CCN1C[C@H]2C(=O)N1CC2(C1)CNC(=O)O2 ZINC001548723375 894499564 /nfs/dbraw/zinc/49/95/64/894499564.db2.gz MROYOSRWWXXJFA-UWVGGRQHSA-N 0 1 280.328 -1.305 20 0 CAADMN COC(=O)[C@](C)(CO)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548718546 894499731 /nfs/dbraw/zinc/49/97/31/894499731.db2.gz UIDRXENKAPJHEG-NRUUGDAUSA-N 0 1 285.344 -1.585 20 0 CAADMN COC(=O)[C@](C)(CO)NC(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001548718546 894499736 /nfs/dbraw/zinc/49/97/36/894499736.db2.gz UIDRXENKAPJHEG-NRUUGDAUSA-N 0 1 285.344 -1.585 20 0 CAADMN C[C@H](O)[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CCO1 ZINC001548720982 894499745 /nfs/dbraw/zinc/49/97/45/894499745.db2.gz JJZOEYVAZDVCHZ-XQHKEYJVSA-N 0 1 283.372 -1.017 20 0 CAADMN C[C@H](O)[C@@H]1CN(C(=O)[C@H]2CN3CCN2C[C@H]3C)CCO1 ZINC001548720982 894499749 /nfs/dbraw/zinc/49/97/49/894499749.db2.gz JJZOEYVAZDVCHZ-XQHKEYJVSA-N 0 1 283.372 -1.017 20 0 CAADMN C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C)C[C@H]1CO ZINC001548730985 894499800 /nfs/dbraw/zinc/49/98/00/894499800.db2.gz UBVBOOMILAAXEV-FRRDWIJNSA-N 0 1 282.388 -1.490 20 0 CAADMN 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COC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548724854 894500422 /nfs/dbraw/zinc/50/04/22/894500422.db2.gz JTJTWINZFCQFLH-FDYHWXHSSA-N 0 1 283.372 -1.017 20 0 CAADMN COC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001548724854 894500435 /nfs/dbraw/zinc/50/04/35/894500435.db2.gz JTJTWINZFCQFLH-FDYHWXHSSA-N 0 1 283.372 -1.017 20 0 CAADMN C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@]1(C(N)=O)CCOC1 ZINC001548726661 894500517 /nfs/dbraw/zinc/50/05/17/894500517.db2.gz FKZLSVBCQMNVLZ-BREBYQMCSA-N 0 1 282.344 -1.865 20 0 CAADMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N[C@@]1(C(N)=O)CCOC1 ZINC001548726661 894500533 /nfs/dbraw/zinc/50/05/33/894500533.db2.gz FKZLSVBCQMNVLZ-BREBYQMCSA-N 0 1 282.344 -1.865 20 0 CAADMN C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(O)(CO)CC1 ZINC001548729497 894500605 /nfs/dbraw/zinc/50/06/05/894500605.db2.gz XZGPHLSOSQESTG-NEPJUHHUSA-N 0 1 283.372 -1.280 20 0 CAADMN C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCC(O)(CO)CC1 ZINC001548729497 894500622 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CNS(=O)(=O)NCC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000450567227 530021753 /nfs/dbraw/zinc/02/17/53/530021753.db2.gz MWVXGSXMPPVNLJ-BDAKNGLRSA-N 0 1 278.378 -1.409 20 0 CAADMN CNS(=O)(=O)NCC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000450567243 530021799 /nfs/dbraw/zinc/02/17/99/530021799.db2.gz MWVXGSXMPPVNLJ-IUCAKERBSA-N 0 1 278.378 -1.409 20 0 CAADMN CNS(=O)(=O)NCC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000450567239 530021829 /nfs/dbraw/zinc/02/18/29/530021829.db2.gz MWVXGSXMPPVNLJ-DTWKUNHWSA-N 0 1 278.378 -1.409 20 0 CAADMN CNS(=O)(=O)NCC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000451377456 530021849 /nfs/dbraw/zinc/02/18/49/530021849.db2.gz QQXOJZWYMCRVSD-SNVBAGLBSA-N 0 1 292.405 -1.161 20 0 CAADMN CNS(=O)(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000429232843 530023161 /nfs/dbraw/zinc/02/31/61/530023161.db2.gz LHQOVSGCEGPAPH-VIFPVBQESA-N 0 1 250.368 -1.324 20 0 CAADMN CNS(=O)(=O)NCCCN1CCC(O)CC1 ZINC000429238634 530023179 /nfs/dbraw/zinc/02/31/79/530023179.db2.gz ZLQNNBYPZMYPJF-UHFFFAOYSA-N 0 1 251.352 -1.113 20 0 CAADMN CNS(=O)(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000351945398 530023457 /nfs/dbraw/zinc/02/34/57/530023457.db2.gz PWLSRQQZLKNGGT-SECBINFHSA-N 0 1 250.368 -1.324 20 0 CAADMN CN1CCN(C(=O)CCNC(=O)[C@@H]2CNCCO2)CC1 ZINC000178700565 530067692 /nfs/dbraw/zinc/06/76/92/530067692.db2.gz BZHPRHJZZBVRKW-NSHDSACASA-N 0 1 284.360 -1.745 20 0 CAADMN CN1CCN(C(=O)CN2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000336811900 530068102 /nfs/dbraw/zinc/06/81/02/530068102.db2.gz PAHBLQOLUZBIMZ-LBPRGKRZSA-N 0 1 270.333 -2.318 20 0 CAADMN CN1CCN(C(=O)CN2CCC(C(N)=O)CC2)CC1 ZINC000124758623 530068179 /nfs/dbraw/zinc/06/81/79/530068179.db2.gz JCFOKEXGXSFBEJ-UHFFFAOYSA-N 0 1 268.361 -1.042 20 0 CAADMN CN1CCN(C)[C@@H](CNC(=O)CN2CCNCC2=O)C1 ZINC000431014999 530070481 /nfs/dbraw/zinc/07/04/81/530070481.db2.gz QWQKKPFBDQERPF-NSHDSACASA-N 0 1 283.376 -2.220 20 0 CAADMN CN1CCN(C)[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC000344926268 530071150 /nfs/dbraw/zinc/07/11/50/530071150.db2.gz BJMJTWLXWRCYBG-VXGBXAGGSA-N 0 1 270.377 -1.321 20 0 CAADMN 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FBVDICLMRMJGGT-MRVPVSSYSA-N 0 1 266.305 -1.270 20 0 CAADMN CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn[n-]1 ZINC000974781535 614617601 /nfs/dbraw/zinc/61/76/01/614617601.db2.gz FBVDICLMRMJGGT-MRVPVSSYSA-N 0 1 266.305 -1.270 20 0 CAADMN CC1(C)CN(CC(N)=O)C[C@H]1NC(=O)c1cnn[nH]1 ZINC000974781535 614617605 /nfs/dbraw/zinc/61/76/05/614617605.db2.gz FBVDICLMRMJGGT-MRVPVSSYSA-N 0 1 266.305 -1.270 20 0 CAADMN CCC(=O)N1CC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC000965965331 614659620 /nfs/dbraw/zinc/65/96/20/614659620.db2.gz VJNRVNAZZLYFTD-SNVBAGLBSA-N 0 1 282.344 -1.455 20 0 CAADMN CC1(C)CN([C@@H]2CCNC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000940996880 614682222 /nfs/dbraw/zinc/68/22/22/614682222.db2.gz JCXSROYENJKVSD-BDAKNGLRSA-N 0 1 282.344 -1.423 20 0 CAADMN CC1(C)CN([C@H]2CCNC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000940996881 614682620 /nfs/dbraw/zinc/68/26/20/614682620.db2.gz JCXSROYENJKVSD-DTWKUNHWSA-N 0 1 282.344 -1.423 20 0 CAADMN CCN(C(=O)c1[nH]nnc1C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000942899063 614701614 /nfs/dbraw/zinc/70/16/14/614701614.db2.gz JADLVPHWSOKONN-QMMMGPOBSA-N 0 1 294.315 -1.339 20 0 CAADMN CCN(C(=O)c1cc(C)[nH]n1)C1CN(C(=O)C(N)=O)C1 ZINC000967822579 614709403 /nfs/dbraw/zinc/70/94/03/614709403.db2.gz ZAFSSYGODXKVAM-UHFFFAOYSA-N 0 1 279.300 -1.124 20 0 CAADMN CCCN1C[C@@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC000958096006 614785736 /nfs/dbraw/zinc/78/57/36/614785736.db2.gz GINQQUIKOPSUAM-GXSJLCMTSA-N 0 1 290.385 -1.150 20 0 CAADMN CCCC(=O)N1CC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC000966204910 614801221 /nfs/dbraw/zinc/80/12/21/614801221.db2.gz XXMGRZHOJOPBLE-LLVKDONJSA-N 0 1 296.371 -1.065 20 0 CAADMN CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC000958971209 614810229 /nfs/dbraw/zinc/81/02/29/614810229.db2.gz DZMTYNZCSGFRBV-IUCAKERBSA-N 0 1 281.316 -1.213 20 0 CAADMN CCC(=O)N1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC000962830290 614814938 /nfs/dbraw/zinc/81/49/38/614814938.db2.gz RZAODPUFOIYSBU-BDAKNGLRSA-N 0 1 281.316 -1.246 20 0 CAADMN CCC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC000970781862 614815147 /nfs/dbraw/zinc/81/51/47/614815147.db2.gz XQZXBXWCGRFALN-SFYZADRCSA-N 0 1 267.289 -1.555 20 0 CAADMN CC1(NC(=O)c2ncn[nH]2)CCN(C(=O)C(N)=O)CC1 ZINC000956449408 614919937 /nfs/dbraw/zinc/91/99/37/614919937.db2.gz JDKQBUGVECZMFB-UHFFFAOYSA-N 0 1 280.288 -1.599 20 0 CAADMN CC1(NC(=O)c2nc[nH]n2)CCN(C(=O)C(N)=O)CC1 ZINC000956449408 614919938 /nfs/dbraw/zinc/91/99/38/614919938.db2.gz JDKQBUGVECZMFB-UHFFFAOYSA-N 0 1 280.288 -1.599 20 0 CAADMN CC1(NC(=O)c2ncn[nH]2)CCN(C(=O)CC(N)=O)CC1 ZINC000956448912 614920077 /nfs/dbraw/zinc/92/00/77/614920077.db2.gz CIJBZDRMXJFLLL-UHFFFAOYSA-N 0 1 294.315 -1.209 20 0 CAADMN CC1(NC(=O)c2nc[nH]n2)CCN(C(=O)CC(N)=O)CC1 ZINC000956448912 614920080 /nfs/dbraw/zinc/92/00/80/614920080.db2.gz CIJBZDRMXJFLLL-UHFFFAOYSA-N 0 1 294.315 -1.209 20 0 CAADMN CCC(=O)N[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1O ZINC000961042070 614923582 /nfs/dbraw/zinc/92/35/82/614923582.db2.gz SVGOGLSYYMSYCB-BDAKNGLRSA-N 0 1 281.316 -1.165 20 0 CAADMN CCC(=O)N[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@@H]1O ZINC000961052025 614934577 /nfs/dbraw/zinc/93/45/77/614934577.db2.gz BGCRZSIQMPDFFG-APPZFPTMSA-N 0 1 282.300 -1.163 20 0 CAADMN CCN1CC(N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC000941353345 615086533 /nfs/dbraw/zinc/08/65/33/615086533.db2.gz RLQAVPCVCXMXAY-UHFFFAOYSA-N 0 1 254.334 -1.290 20 0 CAADMN CCN1CC(N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000941408480 615086938 /nfs/dbraw/zinc/08/69/38/615086938.db2.gz HZXWDZZPNMOUID-UHFFFAOYSA-N 0 1 279.348 -1.479 20 0 CAADMN CCN1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC000941568644 615088025 /nfs/dbraw/zinc/08/80/25/615088025.db2.gz XPRPNYKMHVGNKN-NEPJUHHUSA-N 0 1 280.372 -1.044 20 0 CAADMN CCN1CC(N2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 ZINC000941515640 615088116 /nfs/dbraw/zinc/08/81/16/615088116.db2.gz ASYDQGOHBCMLIV-GFCCVEGCSA-N 0 1 295.387 -1.142 20 0 CAADMN CCN1CC(N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC000941525093 615088828 /nfs/dbraw/zinc/08/88/28/615088828.db2.gz VFVLSBSVTQOMTI-UHFFFAOYSA-N 0 1 279.348 -1.328 20 0 CAADMN CC[NH+]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957473620 615149577 /nfs/dbraw/zinc/14/95/77/615149577.db2.gz BBUGXNXPJZNEFR-UHFFFAOYSA-N 0 1 255.278 -1.147 20 0 CAADMN CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000972527287 615191200 /nfs/dbraw/zinc/19/12/00/615191200.db2.gz SVSREFGZHPAEBF-GXFFZTMASA-N 0 1 282.344 -1.009 20 0 CAADMN CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC000969786181 615235928 /nfs/dbraw/zinc/23/59/28/615235928.db2.gz VVMJUBLBIPKNNZ-RKDXNWHRSA-N 0 1 268.317 -1.717 20 0 CAADMN CC[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971238511 615392163 /nfs/dbraw/zinc/39/21/63/615392163.db2.gz HJWJAVIOHDCJRH-BDAKNGLRSA-N 0 1 270.333 -1.342 20 0 CAADMN CC[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971048397 615393908 /nfs/dbraw/zinc/39/39/08/615393908.db2.gz JRWOOAKCRQHPNY-ZJUUUORDSA-N 0 1 295.347 -1.530 20 0 CAADMN CC[C@@H](C(N)=O)N(C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971048389 615394612 /nfs/dbraw/zinc/39/46/12/615394612.db2.gz JRWOOAKCRQHPNY-UWVGGRQHSA-N 0 1 295.347 -1.530 20 0 CAADMN CC[C@@H](C(N)=O)N(C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971238513 615394890 /nfs/dbraw/zinc/39/48/90/615394890.db2.gz HJWJAVIOHDCJRH-IUCAKERBSA-N 0 1 270.333 -1.342 20 0 CAADMN CC[C@@H](C(N)=O)N1C[C@]2(C)CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC000982503965 615402524 /nfs/dbraw/zinc/40/25/24/615402524.db2.gz SHTYFJKSIROSLE-QCZZGDTMSA-N 0 1 296.371 -1.094 20 0 CAADMN CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958186248 615403297 /nfs/dbraw/zinc/40/32/97/615403297.db2.gz YSDUIYHICJREOP-QCBRBAQYSA-N 0 1 293.331 -2.017 20 0 CAADMN CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000962473018 615403438 /nfs/dbraw/zinc/40/34/38/615403438.db2.gz DQLZEERTDPLBSZ-MIZYBKAJSA-N 0 1 292.343 -1.412 20 0 CAADMN CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959905581 615403624 /nfs/dbraw/zinc/40/36/24/615403624.db2.gz YZKVWDBULHMKKN-QCBRBAQYSA-N 0 1 293.331 -2.017 20 0 CAADMN CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC000958790719 615404100 /nfs/dbraw/zinc/40/41/00/615404100.db2.gz MPELDUHHLVJSPV-QCLAVDOMSA-N 0 1 292.343 -1.261 20 0 CAADMN CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC000962047768 615404148 /nfs/dbraw/zinc/40/41/48/615404148.db2.gz WZYQYHXBOQIRTM-GISOBZBCSA-N 0 1 292.343 -1.261 20 0 CAADMN CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000958317315 615408744 /nfs/dbraw/zinc/40/87/44/615408744.db2.gz VZLXMHKLUCXRHG-WPRPVWTQSA-N 0 1 296.327 -1.472 20 0 CAADMN CC[C@@H](CN1CC(N2CCN(C(=O)C(N)=O)CC2)C1)OC ZINC000941543842 615473394 /nfs/dbraw/zinc/47/33/94/615473394.db2.gz UNMBEEJCQXNNGZ-LBPRGKRZSA-N 0 1 298.387 -1.275 20 0 CAADMN CCc1cc(C(=O)N2CC(N(C)C(=O)C(N)=O)C2)n[nH]1 ZINC000955159685 615612646 /nfs/dbraw/zinc/61/26/46/615612646.db2.gz GOQQEWVOKGPEMT-UHFFFAOYSA-N 0 1 279.300 -1.260 20 0 CAADMN CC[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544267 615614954 /nfs/dbraw/zinc/61/49/54/615614954.db2.gz ZKDXOUDJXGDYOO-NXEZZACHSA-N 0 1 295.347 -1.530 20 0 CAADMN CC[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971048383 615615070 /nfs/dbraw/zinc/61/50/70/615615070.db2.gz JRWOOAKCRQHPNY-NXEZZACHSA-N 0 1 295.347 -1.530 20 0 CAADMN CC[C@H](C(N)=O)N(C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971238512 615616265 /nfs/dbraw/zinc/61/62/65/615616265.db2.gz HJWJAVIOHDCJRH-DTWKUNHWSA-N 0 1 270.333 -1.342 20 0 CAADMN CC[C@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000972114126 615616721 /nfs/dbraw/zinc/61/67/21/615616721.db2.gz BXCYFEBTCVAFCW-DTWKUNHWSA-N 0 1 295.347 -1.380 20 0 CAADMN CCc1cc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)n[nH]1 ZINC000942305189 615617804 /nfs/dbraw/zinc/61/78/04/615617804.db2.gz RWFIEQSZOPSTFD-MRVPVSSYSA-N 0 1 279.300 -1.212 20 0 CAADMN CC[C@H](C(N)=O)N1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000940996234 615621090 /nfs/dbraw/zinc/62/10/90/615621090.db2.gz AXMDQNOSPVBLRF-RKDXNWHRSA-N 0 1 284.360 -1.048 20 0 CAADMN CCc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n[nH]1 ZINC000977081181 615622196 /nfs/dbraw/zinc/62/21/96/615622196.db2.gz XPUDIMPWPCZIHZ-MBTKJCJQSA-N 0 1 291.311 -1.356 20 0 CAADMN CC[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000962473007 615622405 /nfs/dbraw/zinc/62/24/05/615622405.db2.gz DQLZEERTDPLBSZ-KLBPJQLPSA-N 0 1 292.343 -1.412 20 0 CAADMN CC[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961495639 615623109 /nfs/dbraw/zinc/62/31/09/615623109.db2.gz BLEKQISMGAMZOL-XAVMHZPKSA-N 0 1 293.331 -1.866 20 0 CAADMN CCn1ncc(C(=O)NC[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)n1 ZINC000978124528 615686598 /nfs/dbraw/zinc/68/65/98/615686598.db2.gz ZIFOBGOTSBIFTC-OWUUHHOZSA-N 0 1 292.343 -1.309 20 0 CAADMN CCn1ncnc1CNCC1CC(NC(=O)C(N)=O)C1 ZINC000962250791 615736607 /nfs/dbraw/zinc/73/66/07/615736607.db2.gz FDRMGQFXLVTGLO-UHFFFAOYSA-N 0 1 280.332 -1.232 20 0 CAADMN CCn1nncc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958051599 615748506 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656020914 /nfs/dbraw/zinc/02/09/14/656020914.db2.gz PEAWCGCPFBPCJC-RKDXNWHRSA-N 0 1 281.320 -1.920 20 0 CAADMN CC(C)(O)CCN1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933095436 656021718 /nfs/dbraw/zinc/02/17/18/656021718.db2.gz GSBGOIHLIVZTON-SECBINFHSA-N 0 1 263.363 -1.018 20 0 CAADMN O=S1(=O)NC[C@H]2CN(C[C@@H](O)C3CC3)CCN21 ZINC000933097115 656022099 /nfs/dbraw/zinc/02/20/99/656022099.db2.gz RHRBXXJIMZYEKO-VHSXEESVSA-N 0 1 261.347 -1.409 20 0 CAADMN O=S1(=O)NC[C@@H]2CN(C[C@@H](O)C3CC3)CCN21 ZINC000933097112 656022109 /nfs/dbraw/zinc/02/21/09/656022109.db2.gz RHRBXXJIMZYEKO-NXEZZACHSA-N 0 1 261.347 -1.409 20 0 CAADMN CCC[C@@H](O)CN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933097139 656022160 /nfs/dbraw/zinc/02/21/60/656022160.db2.gz RNXUIQPVTOSNBE-VHSXEESVSA-N 0 1 263.363 -1.018 20 0 CAADMN CCC[C@H](O)CN1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933097141 656022250 /nfs/dbraw/zinc/02/22/50/656022250.db2.gz RNXUIQPVTOSNBE-ZJUUUORDSA-N 0 1 263.363 -1.018 20 0 CAADMN CCC[C@H](O)CN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933097138 656022359 /nfs/dbraw/zinc/02/23/59/656022359.db2.gz RNXUIQPVTOSNBE-UWVGGRQHSA-N 0 1 263.363 -1.018 20 0 CAADMN Cn1cc(CN[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)nn1 ZINC001021816162 656022556 /nfs/dbraw/zinc/02/25/56/656022556.db2.gz HMXJKOQCUSHWNW-DTORHVGOSA-N 0 1 291.319 -1.761 20 0 CAADMN Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001021816386 656022591 /nfs/dbraw/zinc/02/25/91/656022591.db2.gz LMTBQKWLXWYMLJ-DTORHVGOSA-N 0 1 291.319 -1.761 20 0 CAADMN Cn1ccc(CN[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001021816602 656022826 /nfs/dbraw/zinc/02/28/26/656022826.db2.gz OGQFIWSHKNORAR-PHIMTYICSA-N 0 1 290.331 -1.156 20 0 CAADMN C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971376758 656023095 /nfs/dbraw/zinc/02/30/95/656023095.db2.gz PDIGGDWAIOLBPL-DTWKUNHWSA-N 0 1 296.331 -1.610 20 0 CAADMN Cc1nnc(CN[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)[nH]1 ZINC001021817205 656023101 /nfs/dbraw/zinc/02/31/01/656023101.db2.gz YTCZPGSFNIBXFE-DTORHVGOSA-N 0 1 291.319 -1.463 20 0 CAADMN Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001021849802 656023136 /nfs/dbraw/zinc/02/31/36/656023136.db2.gz BDKGCJGXMONUQI-OUAUKWLOSA-N 0 1 295.343 -1.033 20 0 CAADMN C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971352940 656023362 /nfs/dbraw/zinc/02/33/62/656023362.db2.gz CAILSXOMSMFDRV-NWDGAFQWSA-N 0 1 298.387 -1.275 20 0 CAADMN C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC000971413534 656023719 /nfs/dbraw/zinc/02/37/19/656023719.db2.gz GVXQRUAQZPQWKU-BDAKNGLRSA-N 0 1 296.327 -1.002 20 0 CAADMN C[C@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC000971413534 656023722 /nfs/dbraw/zinc/02/37/22/656023722.db2.gz GVXQRUAQZPQWKU-BDAKNGLRSA-N 0 1 296.327 -1.002 20 0 CAADMN Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001021850620 656023815 /nfs/dbraw/zinc/02/38/15/656023815.db2.gz KLFIFODYSCZLEQ-OUAUKWLOSA-N 0 1 295.343 -1.033 20 0 CAADMN COCCN1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000048428577 656024036 /nfs/dbraw/zinc/02/40/36/656024036.db2.gz 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/nfs/dbraw/zinc/02/58/61/656025861.db2.gz CPXUAQMOVOGBGB-ZJUUUORDSA-N 0 1 280.332 -1.315 20 0 CAADMN Cn1ccnc1CN[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001022083562 656025901 /nfs/dbraw/zinc/02/59/01/656025901.db2.gz UJYBNXSNDCEMBY-AOOOYVTPSA-N 0 1 290.331 -1.156 20 0 CAADMN Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001022082828 656026038 /nfs/dbraw/zinc/02/60/38/656026038.db2.gz HNWBPUAOKNZFKW-DTORHVGOSA-N 0 1 291.319 -1.761 20 0 CAADMN C[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000971726220 656027233 /nfs/dbraw/zinc/02/72/33/656027233.db2.gz MYNOHBKKAZHSRH-RKDXNWHRSA-N 0 1 284.360 -1.096 20 0 CAADMN C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971850150 656029259 /nfs/dbraw/zinc/02/92/59/656029259.db2.gz FMJSDWMQIMXQHK-JGVFFNPUSA-N 0 1 266.305 -1.175 20 0 CAADMN C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000971866269 656029341 /nfs/dbraw/zinc/02/93/41/656029341.db2.gz BPSSQLWUNXDHAZ-JGVFFNPUSA-N 0 1 297.315 -1.190 20 0 CAADMN Cc1nn[n-]c1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022527010 656029634 /nfs/dbraw/zinc/02/96/34/656029634.db2.gz LALCOEKCWYEZCG-BIIVOSGPSA-N 0 1 266.305 -1.163 20 0 CAADMN C[C@H](CNC(=O)CN1CC[C@@H]1CO)N1CC[C@H]1CO ZINC000934016776 656029985 /nfs/dbraw/zinc/02/99/85/656029985.db2.gz XYHQICTUFDMLSP-UTUOFQBUSA-N 0 1 271.361 -1.376 20 0 CAADMN Cn1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)nn1 ZINC001022543230 656030416 /nfs/dbraw/zinc/03/04/16/656030416.db2.gz PVLKCWLKQNCFPK-WCABBAIRSA-N 0 1 292.343 -1.312 20 0 CAADMN C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001022548669 656030795 /nfs/dbraw/zinc/03/07/95/656030795.db2.gz QHCSVERQXPTVRP-HBNTYKKESA-N 0 1 294.355 -1.375 20 0 CAADMN CN1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001022548669 656030797 /nfs/dbraw/zinc/03/07/97/656030797.db2.gz QHCSVERQXPTVRP-HBNTYKKESA-N 0 1 294.355 -1.375 20 0 CAADMN NC(=O)C(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001022555928 656031299 /nfs/dbraw/zinc/03/12/99/656031299.db2.gz GYUNWSSZBUFUAR-WCBMZHEXSA-N 0 1 291.311 -1.503 20 0 CAADMN Cn1ccnc1CN[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001022560157 656031308 /nfs/dbraw/zinc/03/13/08/656031308.db2.gz GXTYFCXZPRTILN-DTORHVGOSA-N 0 1 290.331 -1.006 20 0 CAADMN O=C(N[C@H]1C[C@@H](NCc2cnns2)C1)[C@H]1CNC(=O)N1 ZINC001022629345 656031626 /nfs/dbraw/zinc/03/16/26/656031626.db2.gz AQMNVWPQMQPAJX-BKPPORCPSA-N 0 1 296.356 -1.044 20 0 CAADMN Cc1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)[nH]1 ZINC001022628495 656031696 /nfs/dbraw/zinc/03/16/96/656031696.db2.gz QXZOJOKORZMIJD-YIZRAAEISA-N 0 1 293.331 -1.469 20 0 CAADMN Cn1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001022627935 656031840 /nfs/dbraw/zinc/03/18/40/656031840.db2.gz JYRARJFKGZWYLV-KHQFGBGNSA-N 0 1 293.331 -1.767 20 0 CAADMN Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001022629421 656031884 /nfs/dbraw/zinc/03/18/84/656031884.db2.gz CEPAKZMRFSFRFH-YIZRAAEISA-N 0 1 293.331 -1.767 20 0 CAADMN NC(=O)C(=O)N[C@H]1C[C@@H](NCc2cn(CC3CC3)nn2)C1 ZINC001022633258 656032175 /nfs/dbraw/zinc/03/21/75/656032175.db2.gz GPJNNAKFLQUDEH-AOOOYVTPSA-N 0 1 292.343 -1.090 20 0 CAADMN CCn1ncnc1CN[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001022633863 656032343 /nfs/dbraw/zinc/03/23/43/656032343.db2.gz WAKSDBKYCXRIBX-OCAPTIKFSA-N 0 1 266.305 -1.480 20 0 CAADMN CCCn1ncnc1CN[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001022633245 656032379 /nfs/dbraw/zinc/03/23/79/656032379.db2.gz FQYOBJDJVKVKQG-DTORHVGOSA-N 0 1 280.332 -1.090 20 0 CAADMN Cn1c(CN[C@H]2C[C@@H](NC(=O)C(N)=O)C2)nnc1C1CC1 ZINC001022633471 656032387 /nfs/dbraw/zinc/03/23/87/656032387.db2.gz JMOZAVCNMUEYAD-DTORHVGOSA-N 0 1 292.343 -1.085 20 0 CAADMN NC(=O)C(=O)N[C@H]1C[C@@H](NCc2ncnn2CCF)C1 ZINC001022633875 656032411 /nfs/dbraw/zinc/03/24/11/656032411.db2.gz WRAKTQCVAGUBQW-OCAPTIKFSA-N 0 1 284.295 -1.530 20 0 CAADMN Cn1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001022631181 656032487 /nfs/dbraw/zinc/03/24/87/656032487.db2.gz 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/nfs/dbraw/zinc/27/03/50/657270350.db2.gz QVCHVANSGWRJGQ-NSHDSACASA-N 0 1 296.371 -1.079 20 0 CAADMN O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019522826 657270497 /nfs/dbraw/zinc/27/04/97/657270497.db2.gz KJLAMGXYBZPQJZ-JTQLQIEISA-N 0 1 296.327 -1.891 20 0 CAADMN NC(=O)C(=O)N1CCCO[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001019647099 657274636 /nfs/dbraw/zinc/27/46/36/657274636.db2.gz ZVEABFABKJFBLT-SSDOTTSWSA-N 0 1 296.287 -2.363 20 0 CAADMN NC(=O)C(=O)N1CCCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001019647099 657274658 /nfs/dbraw/zinc/27/46/58/657274658.db2.gz ZVEABFABKJFBLT-SSDOTTSWSA-N 0 1 296.287 -2.363 20 0 CAADMN CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cc3nnc[n-]3)C2)C1=O ZINC001019628987 657275426 /nfs/dbraw/zinc/27/54/26/657275426.db2.gz ATYCSENKBNMWDU-UWVGGRQHSA-N 0 1 292.343 -1.232 20 0 CAADMN NC(=O)C(=O)N1CCCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001019620202 657275727 /nfs/dbraw/zinc/27/57/27/657275727.db2.gz IQJULDDKCIVFJV-ZETCQYMHSA-N 0 1 296.287 -2.363 20 0 CAADMN C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019625129 657275983 /nfs/dbraw/zinc/27/59/83/657275983.db2.gz CHNCYPBPUDFPHQ-ZJUUUORDSA-N 0 1 282.344 -1.469 20 0 CAADMN CC[C@H]([NH2+][C@H]1CCN(C(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001019629416 657276306 /nfs/dbraw/zinc/27/63/06/657276306.db2.gz LCKYLJZXYTWSSM-IUCAKERBSA-N 0 1 280.332 -1.198 20 0 CAADMN NC(=O)C(=O)N1CCCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001019620201 657276430 /nfs/dbraw/zinc/27/64/30/657276430.db2.gz IQJULDDKCIVFJV-SSDOTTSWSA-N 0 1 296.287 -2.363 20 0 CAADMN O=C(Cc1nnc[n-]1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019629883 657276453 /nfs/dbraw/zinc/27/64/53/657276453.db2.gz SMVRWFREAUREFU-DTWKUNHWSA-N 0 1 278.316 -1.574 20 0 CAADMN O=C(Cc1nnc[n-]1)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019629739 657276590 /nfs/dbraw/zinc/27/65/90/657276590.db2.gz QFDTZFZJKOSGKG-UWVGGRQHSA-N 0 1 292.343 -1.184 20 0 CAADMN Cn1nncc1CN[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001019629013 657276770 /nfs/dbraw/zinc/27/67/70/657276770.db2.gz 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657289906 /nfs/dbraw/zinc/28/99/06/657289906.db2.gz DYBKOGGTKHABBU-KYZUINATSA-N 0 1 291.319 -1.463 20 0 CAADMN O=C(N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)c1cnn[nH]1 ZINC001020342958 657293869 /nfs/dbraw/zinc/29/38/69/657293869.db2.gz CQENKXJYFRSMET-IZLXSQMJSA-N 0 1 278.276 -1.321 20 0 CAADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)c1n[nH]c(=O)[n-]c1=O ZINC001095694378 782191482 /nfs/dbraw/zinc/19/14/82/782191482.db2.gz XSKYBINJTIXHOX-CSMHCCOUSA-N 0 1 295.299 -1.390 20 0 CAADMN C[N@H+](C[C@@](C)(O)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000070714298 957695672 /nfs/dbraw/zinc/69/56/72/957695672.db2.gz HZXUQFFGMWLOTF-VXNVDRBHSA-N 0 1 251.304 -1.059 20 0 CAADMN C[N@@H+](C[C@@](C)(O)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000070714298 957695677 /nfs/dbraw/zinc/69/56/77/957695677.db2.gz HZXUQFFGMWLOTF-VXNVDRBHSA-N 0 1 251.304 -1.059 20 0 CAADMN O=C(NC[C@]1(O)CCN(c2ncccn2)C1)c1ncn[nH]1 ZINC001111089543 782195628 /nfs/dbraw/zinc/19/56/28/782195628.db2.gz UBTYWJBZFQQFPE-GFCCVEGCSA-N 0 1 289.299 -1.034 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-1.002 20 0 CAADMN CCN(CCS(C)(=O)=O)C(=O)[C@@H]1CNCCO1 ZINC000688603651 782201049 /nfs/dbraw/zinc/20/10/49/782201049.db2.gz NDTOTPSRDJHRSW-VIFPVBQESA-N 0 1 264.347 -1.132 20 0 CAADMN CCCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114509009 782203480 /nfs/dbraw/zinc/20/34/80/782203480.db2.gz ZJLMATJUVNOONB-GDGBQDQQSA-N 0 1 292.343 -1.009 20 0 CAADMN NC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114508473 782203654 /nfs/dbraw/zinc/20/36/54/782203654.db2.gz URIDHLJHVCHNEM-KPCSLPGQSA-N 0 1 293.287 -2.340 20 0 CAADMN Cn1ncc(CNC[C@H]2CCC[C@H]2NC(=O)C(N)=O)n1 ZINC001037068679 782206202 /nfs/dbraw/zinc/20/62/02/782206202.db2.gz QXABCPQSTLAAMB-PSASIEDQSA-N 0 1 280.332 -1.325 20 0 CAADMN NCC(=O)NCC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000037802811 782206144 /nfs/dbraw/zinc/20/61/44/782206144.db2.gz HOFDOINUEDUPFF-UHFFFAOYSA-N 0 1 291.355 -1.199 20 0 CAADMN Cn1[n-]c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)nc1=O ZINC001037066442 782207008 /nfs/dbraw/zinc/20/70/08/782207008.db2.gz JHZNATOUMTYGPT-YUMQZZPRSA-N 0 1 296.331 -2.032 20 0 CAADMN Cn1[n-]c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C(N)=O)nc1=O ZINC001037066440 782206461 /nfs/dbraw/zinc/20/64/61/782206461.db2.gz JHZNATOUMTYGPT-JGVFFNPUSA-N 0 1 296.331 -2.032 20 0 CAADMN Cn1ncc(CNC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)n1 ZINC001037068682 782206592 /nfs/dbraw/zinc/20/65/92/782206592.db2.gz QXABCPQSTLAAMB-WPRPVWTQSA-N 0 1 280.332 -1.325 20 0 CAADMN Cn1ncnc1CNC[C@H]1CCC[C@@H]1NC(=O)C(N)=O ZINC001037068707 782206718 /nfs/dbraw/zinc/20/67/18/782206718.db2.gz RPGUPLTZMWGKMQ-BDAKNGLRSA-N 0 1 280.332 -1.325 20 0 CAADMN Cn1cnnc1CNC[C@H]1CCC[C@@H]1NC(=O)C(N)=O ZINC001037067371 782206750 /nfs/dbraw/zinc/20/67/50/782206750.db2.gz WXECUYWMIBPABC-BDAKNGLRSA-N 0 1 280.332 -1.325 20 0 CAADMN Cn1ncc(CNC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)n1 ZINC001037068681 782206859 /nfs/dbraw/zinc/20/68/59/782206859.db2.gz QXABCPQSTLAAMB-WCBMZHEXSA-N 0 1 280.332 -1.325 20 0 CAADMN C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN(CC(=O)N(C)C)C[C@H]21 ZINC001114674511 782209519 /nfs/dbraw/zinc/20/95/19/782209519.db2.gz KBCKMHOBHMXUQG-QISWUMQESA-N 0 1 296.371 -1.368 20 0 CAADMN C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN(CC(=O)N(C)C)C[C@H]21 ZINC001114674507 782209851 /nfs/dbraw/zinc/20/98/51/782209851.db2.gz KBCKMHOBHMXUQG-DNJQJEMRSA-N 0 1 296.371 -1.368 20 0 CAADMN CC[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114757624 782211745 /nfs/dbraw/zinc/21/17/45/782211745.db2.gz NMDLRONIIDUYFS-RGOKHQFPSA-N 0 1 294.355 -1.438 20 0 CAADMN NC(=O)C(=O)N[C@@H]1[C@H]2CN(CCNC(=O)C3CC3)C[C@H]21 ZINC001114753376 782211667 /nfs/dbraw/zinc/21/16/67/782211667.db2.gz UZZLTSPLZZTFHA-MYJAWHEDSA-N 0 1 280.328 -1.956 20 0 CAADMN CC(C)NC(=O)NCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114753666 782211762 /nfs/dbraw/zinc/21/17/62/782211762.db2.gz ZQZDMBZFKBTWEF-MYJAWHEDSA-N 0 1 297.359 -1.774 20 0 CAADMN CN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114763682 782212242 /nfs/dbraw/zinc/21/22/42/782212242.db2.gz GSAKFCKPLXJEJJ-JZYVYDRUSA-N 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780590967 /nfs/dbraw/zinc/59/09/67/780590967.db2.gz HDQVBYIJJLIVPH-DGCLKSJQSA-N 0 1 298.339 -1.603 20 0 CAADMN NC(=O)[C@H](CO)NC[C@H](O)COc1ccc(CCO)cc1 ZINC001253164144 780591178 /nfs/dbraw/zinc/59/11/78/780591178.db2.gz HDQVBYIJJLIVPH-AAEUAGOBSA-N 0 1 298.339 -1.603 20 0 CAADMN CN1CCN(C)[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001253591595 780593842 /nfs/dbraw/zinc/59/38/42/780593842.db2.gz PIOAGXRSIAXGPG-MNOVXSKESA-N 0 1 268.361 -1.125 20 0 CAADMN COc1cccc(OC[C@@H](O)CN[C@H](CO)C(N)=O)c1 ZINC001253979023 780597377 /nfs/dbraw/zinc/59/73/77/780597377.db2.gz GECAJFKQIBPVJY-JOYOIKCWSA-N 0 1 284.312 -1.129 20 0 CAADMN O=C(CC[NH+]1CCOCC1)NCc1nc(=O)o[n-]1 ZINC001254027047 780597612 /nfs/dbraw/zinc/59/76/12/780597612.db2.gz DPWCNSXPABKPQM-UHFFFAOYSA-N 0 1 256.262 -1.299 20 0 CAADMN C[C@@]1(N[C@@H]2CCS(=O)(=O)C2)CCC(=O)NC1=O ZINC001254319753 780603175 /nfs/dbraw/zinc/60/31/75/780603175.db2.gz FGXHKBGFFDYVMS-GMSGAONNSA-N 0 1 260.315 -1.042 20 0 CAADMN C[C@]1(N[C@H]2CCS(=O)(=O)C2)CCC(=O)NC1=O 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1 263.319 -1.318 20 0 CAADMN C[C@H]1[C@H](N[C@H]2CC[N@@H+](C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001255411961 780614064 /nfs/dbraw/zinc/61/40/64/780614064.db2.gz MMWHEBIPAKWKIA-FXQIFTODSA-N 0 1 263.319 -1.318 20 0 CAADMN CS(=O)(=O)N1CC(CNC(=O)c2cnn[nH]2)C1 ZINC001255311318 780614078 /nfs/dbraw/zinc/61/40/78/780614078.db2.gz ZMUISWZMMBOIBG-UHFFFAOYSA-N 0 1 259.291 -1.574 20 0 CAADMN COC[C@H](C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001255559776 780616673 /nfs/dbraw/zinc/61/66/73/780616673.db2.gz IICGMMPNLVICIA-IHICSVBISA-N 0 1 251.279 -2.589 20 0 CAADMN CC[N@@H+](CCO)CCNC(=O)NCC(=O)[N-]OC ZINC001255994308 780619634 /nfs/dbraw/zinc/61/96/34/780619634.db2.gz CTDPVYCQCVORRY-UHFFFAOYSA-N 0 1 262.310 -1.723 20 0 CAADMN NC(=O)C(NC1CCN(c2ncccn2)CC1)C(N)=O ZINC001256046488 780619790 /nfs/dbraw/zinc/61/97/90/780619790.db2.gz LPNQCIPBYRGDKE-UHFFFAOYSA-N 0 1 278.316 -1.626 20 0 CAADMN CCOC(=O)N1CC[C@@H](NCC(=O)NCC(N)=O)C1 ZINC001256026657 780620398 /nfs/dbraw/zinc/62/03/98/780620398.db2.gz 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CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001403707694 889353491 /nfs/dbraw/zinc/35/34/91/889353491.db2.gz WSTZRULIXLJYJB-DBIOUOCHSA-N 0 1 285.344 -1.633 20 0 CAADMN CC1(C(=O)NC[C@H](CO)N[C@H]2CCNC2=O)CCOCC1 ZINC001403698178 889353867 /nfs/dbraw/zinc/35/38/67/889353867.db2.gz BFKWCFXSEQMWGS-MNOVXSKESA-N 0 1 299.371 -1.242 20 0 CAADMN CNC(=O)CN[C@@H](CO)CNC(=O)c1csc(=O)[nH]1 ZINC001403699678 889354057 /nfs/dbraw/zinc/35/40/57/889354057.db2.gz HMQIXJFJJSIPSV-ZCFIWIBFSA-N 0 1 288.329 -1.725 20 0 CAADMN O=C(CN[C@H](CO)CNC(=O)c1n[nH]cc1F)N1CCC1 ZINC001403701317 889354243 /nfs/dbraw/zinc/35/42/43/889354243.db2.gz NEEDHYMHJHTBCQ-QMMMGPOBSA-N 0 1 299.306 -1.539 20 0 CAADMN CNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001403707700 889354424 /nfs/dbraw/zinc/35/44/24/889354424.db2.gz WSTZRULIXLJYJB-ZDCRXTMVSA-N 0 1 285.344 -1.633 20 0 CAADMN O=C(CN[C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N1CCC1 ZINC001403703919 889354589 /nfs/dbraw/zinc/35/45/89/889354589.db2.gz 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ZINC001403722734 889357391 /nfs/dbraw/zinc/35/73/91/889357391.db2.gz PSWMBTPQHOGWGT-BDAKNGLRSA-N 0 1 281.316 -1.709 20 0 CAADMN CCn1ccc(CN[C@@H](CO)CNC(=O)c2ncn[nH]2)n1 ZINC001403712465 889357615 /nfs/dbraw/zinc/35/76/15/889357615.db2.gz UQQXTYMRYHCRDL-SNVBAGLBSA-N 0 1 293.331 -1.098 20 0 CAADMN CCn1ccc(CN[C@@H](CO)CNC(=O)c2nc[nH]n2)n1 ZINC001403712465 889357624 /nfs/dbraw/zinc/35/76/24/889357624.db2.gz UQQXTYMRYHCRDL-SNVBAGLBSA-N 0 1 293.331 -1.098 20 0 CAADMN CCn1nc(C)c(C(=O)NC[C@@H](CO)NCC(N)=O)c1C ZINC001403717563 889357751 /nfs/dbraw/zinc/35/77/51/889357751.db2.gz ZQMLLZQYJHOVKK-JTQLQIEISA-N 0 1 297.359 -1.315 20 0 CAADMN CNC(=O)CN[C@@H](CO)CNC(=O)c1cccc(OC)n1 ZINC001403713434 889357796 /nfs/dbraw/zinc/35/77/96/889357796.db2.gz GTVQIDDZSDFPRL-SECBINFHSA-N 0 1 296.327 -1.484 20 0 CAADMN CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)CCn1cnnn1 ZINC001403711285 889358215 /nfs/dbraw/zinc/35/82/15/889358215.db2.gz GNYFHOUKRJMVAQ-BDAKNGLRSA-N 0 1 299.335 -2.736 20 0 CAADMN NC(=O)CN[C@@H](CO)CNC(=O)CCC1CCOCC1 ZINC001403720170 889358737 /nfs/dbraw/zinc/35/87/37/889358737.db2.gz BJCUDZXXAHWIOB-LLVKDONJSA-N 0 1 287.360 -1.255 20 0 CAADMN Cc1cnoc1C(=O)NC[C@@H](CO)N[C@@H]1CCNC1=O ZINC001403722165 889358436 /nfs/dbraw/zinc/35/84/36/889358436.db2.gz PBGSZCIDLUGGRV-DTWKUNHWSA-N 0 1 282.300 -1.448 20 0 CAADMN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1cnc(C)n1C ZINC001403711489 889358659 /nfs/dbraw/zinc/35/86/59/889358659.db2.gz RUXNOZPVAUOWOP-WPRPVWTQSA-N 0 1 297.359 -1.457 20 0 CAADMN Cc1cc(=O)c(C(=O)NC[C@H](CO)N[C@H](C)C(N)=O)c[nH]1 ZINC001403724639 889358872 /nfs/dbraw/zinc/35/88/72/889358872.db2.gz KNEJIYROYLKYER-RKDXNWHRSA-N 0 1 296.327 -1.763 20 0 CAADMN C[C@@H](N[C@@H](CO)CNC(=O)Cn1cncn1)C(N)=O ZINC001403725078 889359831 /nfs/dbraw/zinc/35/98/31/889359831.db2.gz LSGSHGFGUVLHLO-HTQZYQBOSA-N 0 1 270.293 -2.781 20 0 CAADMN CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1ccc(=O)[nH]c1 ZINC001403738777 889360288 /nfs/dbraw/zinc/36/02/88/889360288.db2.gz KCFAEEOUHCJVBV-PSASIEDQSA-N 0 1 296.327 -1.398 20 0 CAADMN C[C@@H](N[C@H](CO)CNC(=O)c1cccn(C)c1=O)C(N)=O ZINC001403734255 889360365 /nfs/dbraw/zinc/36/03/65/889360365.db2.gz XOLPYRBEAXIREF-BDAKNGLRSA-N 0 1 296.327 -2.061 20 0 CAADMN CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1ccc(=O)[nH]c1 ZINC001403738779 889361802 /nfs/dbraw/zinc/36/18/02/889361802.db2.gz KCFAEEOUHCJVBV-SCZZXKLOSA-N 0 1 296.327 -1.398 20 0 CAADMN CC[C@H](N[C@@H](CO)CNC(=O)c1nocc1C)C(N)=O ZINC001403733824 889362126 /nfs/dbraw/zinc/36/21/26/889362126.db2.gz WEDRGOQABNPKFF-BDAKNGLRSA-N 0 1 284.316 -1.073 20 0 CAADMN Cc1nc(CN[C@H](CO)CNC(=O)Cc2ncc[nH]2)n[nH]1 ZINC001403725844 889362389 /nfs/dbraw/zinc/36/23/89/889362389.db2.gz RXSPJKYQSGFQLB-VIFPVBQESA-N 0 1 293.331 -1.354 20 0 CAADMN Cc1c(C(=O)NC[C@@H](CO)NCC(N)=O)cnn1C(C)C ZINC001403732139 889362479 /nfs/dbraw/zinc/36/24/79/889362479.db2.gz SAQVPECNXDWFGB-JTQLQIEISA-N 0 1 297.359 -1.062 20 0 CAADMN C[C@H](N[C@@H](CO)CNC(=O)Cn1cncn1)C(N)=O ZINC001403725079 889362550 /nfs/dbraw/zinc/36/25/50/889362550.db2.gz LSGSHGFGUVLHLO-JGVFFNPUSA-N 0 1 270.293 -2.781 20 0 CAADMN NC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001403729193 889362566 /nfs/dbraw/zinc/36/25/66/889362566.db2.gz CSEQYVLTUIMLBZ-WCBMZHEXSA-N 0 1 295.343 -1.933 20 0 CAADMN Cc1nc(CN[C@@H](CO)CNC(=O)Cc2ncc[nH]2)n[nH]1 ZINC001403725839 889362577 /nfs/dbraw/zinc/36/25/77/889362577.db2.gz RXSPJKYQSGFQLB-SECBINFHSA-N 0 1 293.331 -1.354 20 0 CAADMN CC[C@@H](N[C@@H](CO)CNC(=O)c1nocc1C)C(N)=O ZINC001403733865 889362597 /nfs/dbraw/zinc/36/25/97/889362597.db2.gz WEDRGOQABNPKFF-RKDXNWHRSA-N 0 1 284.316 -1.073 20 0 CAADMN C[C@@H](N[C@H](CO)CNC(=O)Cc1ncc[nH]1)C(=O)N(C)C ZINC001403730546 889362684 /nfs/dbraw/zinc/36/26/84/889362684.db2.gz YTKFTNRVYYZDFY-ZJUUUORDSA-N 0 1 297.359 -1.504 20 0 CAADMN Cc1nonc1CC(=O)NC[C@H](CO)N[C@@H]1CCNC1=O ZINC001403724915 889362733 /nfs/dbraw/zinc/36/27/33/889362733.db2.gz UQQDGGKKDNHEKG-RKDXNWHRSA-N 0 1 297.315 -2.124 20 0 CAADMN 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/nfs/dbraw/zinc/50/33/14/889503314.db2.gz GFLXTANQEPDGQR-JTQLQIEISA-N 0 1 298.347 -1.955 20 0 CAADMN Cn1nncc1CNC[C@H](O)CNC(=O)c1ccnnc1 ZINC001406275147 889505233 /nfs/dbraw/zinc/50/52/33/889505233.db2.gz RBQVZVVZANUHRH-NSHDSACASA-N 0 1 291.315 -1.514 20 0 CAADMN COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001406281880 889506155 /nfs/dbraw/zinc/50/61/55/889506155.db2.gz LWOUOWDTLRAKTM-RKDXNWHRSA-N 0 1 297.315 -1.928 20 0 CAADMN Cc1cc(CNC[C@H](O)CNC(=O)c2cnon2)nn1C ZINC001406286101 889506427 /nfs/dbraw/zinc/50/64/27/889506427.db2.gz WDNQPMDXAMGXAU-JTQLQIEISA-N 0 1 294.315 -1.008 20 0 CAADMN C[C@H](CNCc1nnn(C)n1)NC(=O)[C@H]1CCCN1C ZINC001406331426 889509601 /nfs/dbraw/zinc/50/96/01/889509601.db2.gz AIXYWBZGTTVXOK-NXEZZACHSA-N 0 1 281.364 -1.101 20 0 CAADMN C[C@H](CNCc1cnnn1C)NC(=O)Cn1cnnn1 ZINC001406325729 889511151 /nfs/dbraw/zinc/51/11/51/889511151.db2.gz AQKXZYIGWQFOBJ-MRVPVSSYSA-N 0 1 279.308 -1.904 20 0 CAADMN C[C@H](CNCc1nnn(C)n1)NC(=O)[C@@H]1CCCN1C ZINC001406331443 889511436 /nfs/dbraw/zinc/51/14/36/889511436.db2.gz AIXYWBZGTTVXOK-ZJUUUORDSA-N 0 1 281.364 -1.101 20 0 CAADMN COCCC(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O ZINC001406359895 889512925 /nfs/dbraw/zinc/51/29/25/889512925.db2.gz ACVCXHZHQZQQLV-NEPJUHHUSA-N 0 1 299.371 -1.193 20 0 CAADMN COc1cc(CNC[C@H](C)NC(=O)Cn2cnnn2)on1 ZINC001406449581 889520723 /nfs/dbraw/zinc/52/07/23/889520723.db2.gz NFKQGYQPPKVIKD-QMMMGPOBSA-N 0 1 295.303 -1.036 20 0 CAADMN CC(=O)N[C@@H](C)CNCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001406442893 889521756 /nfs/dbraw/zinc/52/17/56/889521756.db2.gz LFRABGBFTVAZFW-IUCAKERBSA-N 0 1 272.349 -1.307 20 0 CAADMN C[C@H](CN[C@@H](C)c1nnnn1C)NC(=O)Cc1nnc[nH]1 ZINC001406412371 889521860 /nfs/dbraw/zinc/52/18/60/889521860.db2.gz CNDWKKMMAXDXBE-SFYZADRCSA-N 0 1 293.335 -1.274 20 0 CAADMN CNC(=O)NCCC(=O)N[C@@H](C)CNCc1cnnn1C ZINC001406473936 889526761 /nfs/dbraw/zinc/52/67/61/889526761.db2.gz UQKVSABPCZRVEZ-VIFPVBQESA-N 0 1 297.363 -1.272 20 0 CAADMN CCC(=O)NCC(=O)NC[C@H]1CCN1C[C@H](O)COC 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O=C(NCC1(N[C@H]2CCNC2=O)CC1)[C@@H]1COCCO1 ZINC001406913695 889545254 /nfs/dbraw/zinc/54/52/54/889545254.db2.gz XEHATMYBRVGDIH-UWVGGRQHSA-N 0 1 283.328 -1.471 20 0 CAADMN Cn1cnnc1CN1CC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001406883796 889545583 /nfs/dbraw/zinc/54/55/83/889545583.db2.gz VMCPUBMCSDCWHA-SECBINFHSA-N 0 1 290.331 -1.134 20 0 CAADMN CNC(=O)[C@H](C)NC1(CNC(=O)c2ncn(C)n2)CC1 ZINC001406926451 889545693 /nfs/dbraw/zinc/54/56/93/889545693.db2.gz XTKJYZIRLVYEJE-QMMMGPOBSA-N 0 1 280.332 -1.198 20 0 CAADMN COC(=O)NCC(=O)NCC1(NCC(=O)N(C)C)CC1 ZINC001406899772 889545841 /nfs/dbraw/zinc/54/58/41/889545841.db2.gz BBFPYPKBZYGZHD-UHFFFAOYSA-N 0 1 286.332 -1.331 20 0 CAADMN CNC(=O)CNC1(CNC(=O)CNC(=O)C2CC2)CC1 ZINC001406900524 889545864 /nfs/dbraw/zinc/54/58/64/889545864.db2.gz CRHMJBDGQCNPJI-UHFFFAOYSA-N 0 1 282.344 -1.503 20 0 CAADMN O=C(Cn1ncnn1)NCC1(NCC(=O)N2CCC2)CC1 ZINC001406923202 889545980 /nfs/dbraw/zinc/54/59/80/889545980.db2.gz WZLSYLMLRQXATG-UHFFFAOYSA-N 0 1 293.331 -1.856 20 0 CAADMN 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C[C@@H](C(=O)N(C)C)N1CCCC2(CN(C(=O)C(N)=O)C2)C1 ZINC000981979003 617298565 /nfs/dbraw/zinc/29/85/65/617298565.db2.gz KVPAGHBCBRWOEH-JTQLQIEISA-N 0 1 296.371 -1.127 20 0 CAADMN C[C@@H](C(=O)N(C)C)N1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000957134758 617298885 /nfs/dbraw/zinc/29/88/85/617298885.db2.gz FHEUCYGFHFHFIH-JTQLQIEISA-N 0 1 294.359 -1.032 20 0 CAADMN C[C@@H](C(=O)N(C)C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961653807 617299348 /nfs/dbraw/zinc/29/93/48/617299348.db2.gz DMRBBSXAMHCWFM-RBXMUDONSA-N 0 1 268.317 -2.005 20 0 CAADMN CC(=O)N1CCOC2(CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC000965255453 613420451 /nfs/dbraw/zinc/42/04/51/613420451.db2.gz MMKDJHOQRTVWFQ-UHFFFAOYSA-N 0 1 279.300 -1.193 20 0 CAADMN CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC000964249746 613426635 /nfs/dbraw/zinc/42/66/35/613426635.db2.gz VYBGOSBPAMBDNY-QMMMGPOBSA-N 0 1 253.262 -1.218 20 0 CAADMN CC(=O)N1CCO[C@@H](C(=O)N[C@@H](C)C2CN(CCO)C2)C1 ZINC000970825901 613433559 /nfs/dbraw/zinc/43/35/59/613433559.db2.gz NGLYVAYSKMGPFD-GXFFZTMASA-N 0 1 299.371 -1.338 20 0 CAADMN CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nnc2C)C1 ZINC000958909214 613654913 /nfs/dbraw/zinc/65/49/13/613654913.db2.gz NGLVSAMCPDCJMG-IUCAKERBSA-N 0 1 267.289 -1.223 20 0 CAADMN CC(=O)N1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC000962204274 613657886 /nfs/dbraw/zinc/65/78/86/613657886.db2.gz KAZTUQDSKACOEK-MNOVXSKESA-N 0 1 266.301 -1.032 20 0 CAADMN CC(=O)N1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC000962827593 613658001 /nfs/dbraw/zinc/65/80/01/613658001.db2.gz CJPBBHOFOXBANP-BDAKNGLRSA-N 0 1 267.289 -1.637 20 0 CAADMN CC(=O)N1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC000970950073 613658125 /nfs/dbraw/zinc/65/81/25/613658125.db2.gz COAHNELXMQWLDF-ZJUUUORDSA-N 0 1 252.274 -1.340 20 0 CAADMN CC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC000970780403 613658155 /nfs/dbraw/zinc/65/81/55/613658155.db2.gz BTIGXXPRNDRDDS-SFYZADRCSA-N 0 1 253.262 -1.945 20 0 CAADMN CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@@H](O)C1 ZINC000961929231 613658285 /nfs/dbraw/zinc/65/82/85/613658285.db2.gz WZTZXCHUDGAGFU-VWYCJHECSA-N 0 1 255.318 -1.212 20 0 CAADMN CC(=O)N1C[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1 ZINC000970355634 613661207 /nfs/dbraw/zinc/66/12/07/613661207.db2.gz PROQKXTUVUPHOK-SFYZADRCSA-N 0 1 256.237 -1.130 20 0 CAADMN CC(=O)N(C)[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1O ZINC000958342077 613751034 /nfs/dbraw/zinc/75/10/34/613751034.db2.gz HLNFHTSSXHJIDG-UWVGGRQHSA-N 0 1 281.316 -1.213 20 0 CAADMN CC(=O)N1CC(C(=O)N2CCCN(CCO)CC2)C1 ZINC000981056106 613759254 /nfs/dbraw/zinc/75/92/54/613759254.db2.gz NNSUNWYSDBPMCE-UHFFFAOYSA-N 0 1 269.345 -1.009 20 0 CAADMN CC(=O)N1CC(C(=O)NC[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000978069361 613761179 /nfs/dbraw/zinc/76/11/79/613761179.db2.gz DLCPBLNABNFPPO-CNDDSTCGSA-N 0 1 294.355 -1.756 20 0 CAADMN CC(=O)N1CC2(C1)CN(C(=O)Cc1ncn[nH]1)CCO2 ZINC000965501020 613783370 /nfs/dbraw/zinc/78/33/70/613783370.db2.gz VWJYKVVXOQVHLE-UHFFFAOYSA-N 0 1 279.300 -1.193 20 0 CAADMN CC(=O)NC[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O ZINC000957788812 613795385 /nfs/dbraw/zinc/79/53/85/613795385.db2.gz OFVLEWBPRVWKGR-ZJUUUORDSA-N 0 1 284.316 -2.033 20 0 CAADMN CC(=O)N1CC2(C1)C[C@@H](NC(=O)c1cnn[nH]1)CO2 ZINC000965742193 613795402 /nfs/dbraw/zinc/79/54/02/613795402.db2.gz WQHRIQBSYYBRDW-MRVPVSSYSA-N 0 1 265.273 -1.076 20 0 CAADMN CC(C)N1C[C@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC000958096581 613887855 /nfs/dbraw/zinc/88/78/55/613887855.db2.gz OYQGDZSTLZEMNH-ONGXEEELSA-N 0 1 290.385 -1.152 20 0 CAADMN CC(C)C(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC000970781667 613897750 /nfs/dbraw/zinc/89/77/50/613897750.db2.gz STUYMZPBQRFNQN-BDAKNGLRSA-N 0 1 281.316 -1.309 20 0 CAADMN CC(C)C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968694704 613898423 /nfs/dbraw/zinc/89/84/23/613898423.db2.gz XIFLHRAKOIVIDR-BDAKNGLRSA-N 0 1 267.289 -1.238 20 0 CAADMN CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)CN2CCOCC2)C[C@@H]1O ZINC000961076487 614036374 /nfs/dbraw/zinc/03/63/74/614036374.db2.gz VYJVVYBMAODIIG-UHTWSYAYSA-N 0 1 299.371 -1.338 20 0 CAADMN CC(=O)N[C@@H]1CN(C(=O)[C@H](C)CN2CCOCC2)C[C@@H]1O ZINC000961076485 614038090 /nfs/dbraw/zinc/03/80/90/614038090.db2.gz VYJVVYBMAODIIG-RTXFEEFZSA-N 0 1 299.371 -1.338 20 0 CAADMN CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1O ZINC000961062979 614038941 /nfs/dbraw/zinc/03/89/41/614038941.db2.gz DYURBZQOAYNYMW-MXWKQRLJSA-N 0 1 255.318 -1.212 20 0 CAADMN CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@@H]1O ZINC000961065982 614039409 /nfs/dbraw/zinc/03/94/09/614039409.db2.gz SYSNZZKYNLSFJX-AXTRIDKLSA-N 0 1 293.327 -1.383 20 0 CAADMN CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@@H]1O ZINC000961065982 614039410 /nfs/dbraw/zinc/03/94/10/614039410.db2.gz SYSNZZKYNLSFJX-AXTRIDKLSA-N 0 1 293.327 -1.383 20 0 CAADMN CC(=O)N[C@H](C)C1CN(C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC000969179488 614099453 /nfs/dbraw/zinc/09/94/53/614099453.db2.gz BEKPKWQOWZTIEJ-BXKDBHETSA-N 0 1 297.355 -1.047 20 0 CAADMN CC(C)(F)C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968694307 614141793 /nfs/dbraw/zinc/14/17/93/614141793.db2.gz GIGBJDWXMMUHHX-SFYZADRCSA-N 0 1 285.279 -1.146 20 0 CAADMN CC(C)(O)CC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC000969748488 614181864 /nfs/dbraw/zinc/18/18/64/614181864.db2.gz JIIPVSNQLAMSOD-SFYZADRCSA-N 0 1 297.315 -1.733 20 0 CAADMN CC(C)(O)CC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC000969748488 614181865 /nfs/dbraw/zinc/18/18/65/614181865.db2.gz JIIPVSNQLAMSOD-SFYZADRCSA-N 0 1 297.315 -1.733 20 0 CAADMN CC(C)(C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)c1c[nH]cn1 ZINC000942301871 614292742 /nfs/dbraw/zinc/29/27/42/614292742.db2.gz CXZUXWDEUADLBW-MRVPVSSYSA-N 0 1 293.327 -1.110 20 0 CAADMN CC(C)(C(N)=O)C(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC000942164909 614310160 /nfs/dbraw/zinc/31/01/60/614310160.db2.gz JWEBGDARDDMLOP-SSDOTTSWSA-N 0 1 294.315 -1.353 20 0 CAADMN CC(C)(C(N)=O)C(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC000942164909 614310163 /nfs/dbraw/zinc/31/01/63/614310163.db2.gz JWEBGDARDDMLOP-SSDOTTSWSA-N 0 1 294.315 -1.353 20 0 CAADMN CC(C)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 ZINC000941545035 614316424 /nfs/dbraw/zinc/31/64/24/614316424.db2.gz JEMWQJJDTDAYQQ-UHFFFAOYSA-N 0 1 254.334 -1.292 20 0 CAADMN CC(C)N1CC(N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC000941541093 614317419 /nfs/dbraw/zinc/31/74/19/614317419.db2.gz UTWYJKKMJUUYKR-LBPRGKRZSA-N 0 1 295.387 -1.095 20 0 CAADMN CC(C)[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000958224902 614397707 /nfs/dbraw/zinc/39/77/07/614397707.db2.gz ZOBGIJSKDXHVBY-JGVFFNPUSA-N 0 1 297.315 -1.286 20 0 CAADMN CC(C)N1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC000958096580 614397752 /nfs/dbraw/zinc/39/77/52/614397752.db2.gz OYQGDZSTLZEMNH-MWLCHTKSSA-N 0 1 290.385 -1.152 20 0 CAADMN CC1CCN(C(=O)CN[C@@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC000969777056 614429068 /nfs/dbraw/zinc/42/90/68/614429068.db2.gz KYYXTHONNRQOAG-LLVKDONJSA-N 0 1 296.371 -1.079 20 0 CAADMN CC1(C(=O)N2C[C@@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)CC1 ZINC000970787783 614457464 /nfs/dbraw/zinc/45/74/64/614457464.db2.gz YBSBJKDGEUWQIB-BDAKNGLRSA-N 0 1 293.327 -1.165 20 0 CAADMN CC1(C)CCN(CC(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000938832190 614541822 /nfs/dbraw/zinc/54/18/22/614541822.db2.gz YYXLHWABFBRQRV-JTQLQIEISA-N 0 1 296.371 -1.079 20 0 CAADMN CCCn1nnnc1CNCC1CC(NC(=O)C(N)=O)C1 ZINC000962250568 614557044 /nfs/dbraw/zinc/55/70/44/614557044.db2.gz YZAVRBWLAMZQJL-UHFFFAOYSA-N 0 1 295.347 -1.447 20 0 CAADMN CCCN1CC(N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000941303914 614604176 /nfs/dbraw/zinc/60/41/76/614604176.db2.gz GFFLLTXVHUIKHL-UHFFFAOYSA-N 0 1 293.375 -1.089 20 0 CAADMN CCCN1CC(N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC000941540475 614604214 /nfs/dbraw/zinc/60/42/14/614604214.db2.gz DHMKMHDYGHIGDH-LBPRGKRZSA-N 0 1 295.387 -1.094 20 0 CAADMN CCCN1CC(N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC000941540474 614605164 /nfs/dbraw/zinc/60/51/64/614605164.db2.gz DHMKMHDYGHIGDH-GFCCVEGCSA-N 0 1 295.387 -1.094 20 0 CAADMN CC1(C)CN(CC(N)=O)C[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000977489174 614614663 /nfs/dbraw/zinc/61/46/63/614614663.db2.gz UGMUTEJFGIGTIB-QMMMGPOBSA-N 0 1 280.332 -1.341 20 0 CAADMN CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1cnn[n-]1 ZINC000974781599 614615767 /nfs/dbraw/zinc/61/57/67/614615767.db2.gz FBVDICLMRMJGGT-QMMMGPOBSA-N 0 1 266.305 -1.270 20 0 CAADMN CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1cnn[n-]1 ZINC000974781599 614615769 /nfs/dbraw/zinc/61/57/69/614615769.db2.gz FBVDICLMRMJGGT-QMMMGPOBSA-N 0 1 266.305 -1.270 20 0 CAADMN CC1(C)CN(CC(N)=O)C[C@@H]1NC(=O)c1cnn[nH]1 ZINC000974781599 614615772 /nfs/dbraw/zinc/61/57/72/614615772.db2.gz FBVDICLMRMJGGT-QMMMGPOBSA-N 0 1 266.305 -1.270 20 0 CAADMN CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1ncn[n-]1 ZINC000977355656 614615892 /nfs/dbraw/zinc/61/58/92/614615892.db2.gz MGELINMZDVAEAW-ZETCQYMHSA-N 0 1 266.305 -1.270 20 0 CAADMN CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1ncn[n-]1 ZINC000977355656 614615893 /nfs/dbraw/zinc/61/58/93/614615893.db2.gz MGELINMZDVAEAW-ZETCQYMHSA-N 0 1 266.305 -1.270 20 0 CAADMN 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