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CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000021332615 1069012578 /nfs/dbraw/zinc/01/25/78/1069012578.db2.gz JIBSIEPXWVUNPG-CQSZACIVSA-N 0 0 490.556 -0.295 20 0 JBADRN CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000021332619 1069012828 /nfs/dbraw/zinc/01/28/28/1069012828.db2.gz JIBSIEPXWVUNPG-AWEZNQCLSA-N 0 0 490.556 -0.295 20 0 JBADRN CCCNC(=O)CN(C)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000021336812 1067637552 /nfs/dbraw/zinc/63/75/52/1067637552.db2.gz OYYDWUQJGGTQIK-UHFFFAOYSA-N 0 0 482.559 -0.319 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000021376790 1069012753 /nfs/dbraw/zinc/01/27/53/1069012753.db2.gz OJRGJJHGCQFOCU-UHFFFAOYSA-N 0 0 492.514 -0.696 20 0 JBADRN CN(c1ccc(C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1)S(C)(=O)=O ZINC000021392967 1067638283 /nfs/dbraw/zinc/63/82/83/1067638283.db2.gz CRCCJQCFXUODAQ-UHFFFAOYSA-N 0 0 463.472 -0.744 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)c1ccc3c(c1)CCCN3S(C)(=O)=O)c(=O)n2C ZINC000021392980 1067638354 /nfs/dbraw/zinc/63/83/54/1067638354.db2.gz OIJNGQYXTIMGQJ-UHFFFAOYSA-N 0 0 489.510 -0.428 20 0 JBADRN CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000021399240 1069013591 /nfs/dbraw/zinc/01/35/91/1069013591.db2.gz ZSWIGXMRLXARFB-MRXNPFEDSA-N 0 0 476.625 -0.306 20 0 JBADRN CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)CC1 ZINC000021399246 1069013367 /nfs/dbraw/zinc/01/33/67/1069013367.db2.gz ZSWIGXMRLXARFB-INIZCTEOSA-N 0 0 476.625 -0.306 20 0 JBADRN CCCNC(=O)CN(C)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000021400001 1067638307 /nfs/dbraw/zinc/63/83/07/1067638307.db2.gz RZKRLMSJIBWPRN-UHFFFAOYSA-N 0 0 484.575 -0.085 20 0 JBADRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)c1 ZINC000021403493 1068440078 /nfs/dbraw/zinc/44/00/78/1068440078.db2.gz OPLGTAHHZMDESJ-UHFFFAOYSA-N 0 0 472.545 -0.164 20 0 JBADRN COCCn1c(N)c(C(=O)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)c(=O)[nH]c1=O ZINC000021414701 1068366285 /nfs/dbraw/zinc/36/62/85/1068366285.db2.gz VKWQWUFEAVOILV-UHFFFAOYSA-N 0 0 468.518 -0.709 20 0 JBADRN O=C(CN1CCN(C(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)CC1)Nc1ccc(F)cc1 ZINC000021421915 1067730190 /nfs/dbraw/zinc/73/01/90/1067730190.db2.gz BGPISNVZDINZEO-UHFFFAOYSA-N 0 0 490.580 -0.615 20 0 JBADRN O=C(CN1CCOCC1)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000021422077 1067730435 /nfs/dbraw/zinc/73/04/35/1067730435.db2.gz MXMDZFKTCBYXNR-UHFFFAOYSA-N 0 0 497.593 -0.865 20 0 JBADRN O=C(CN1CCOCC1)N1CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000021433693 1068366374 /nfs/dbraw/zinc/36/63/74/1068366374.db2.gz RVGGTUMPYFHQGF-UHFFFAOYSA-N 0 0 458.563 -0.161 20 0 JBADRN Cn1cc(/C=C/C(=O)OCC(=O)N2CCN(C(=O)COC(=O)/C=C/c3cnn(C)c3)CC2)cn1 ZINC000021434644 1067638702 /nfs/dbraw/zinc/63/87/02/1067638702.db2.gz AXWNTQNTNOXFFD-GGWOSOGESA-N 0 0 470.486 -0.363 20 0 JBADRN CC(C)Cn1c(N)c(C(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000021434726 1068366255 /nfs/dbraw/zinc/36/62/55/1068366255.db2.gz KLERZYDETUKIEM-UHFFFAOYSA-N 0 0 470.574 -0.098 20 0 JBADRN O=C(CN1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1)NCc1ccccc1 ZINC000021435827 1068366434 /nfs/dbraw/zinc/36/64/34/1068366434.db2.gz LLILXENCNADVSV-OAQYLSRUSA-N 0 0 477.631 -0.748 20 0 JBADRN O=C(CN1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1)NCc1ccccc1 ZINC000021435830 1068366223 /nfs/dbraw/zinc/36/62/23/1068366223.db2.gz LLILXENCNADVSV-NRFANRHFSA-N 0 0 477.631 -0.748 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000021472985 1068366549 /nfs/dbraw/zinc/36/65/49/1068366549.db2.gz UGKAGIIEPCDWKR-UHFFFAOYSA-N 0 0 475.531 -0.287 20 0 JBADRN O=C(CCC(=O)N1CCC2(CC1)NC(=O)NC2=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000021475199 1068524263 /nfs/dbraw/zinc/52/42/63/1068524263.db2.gz ZBAKYESZYFCTNP-UHFFFAOYSA-N 0 0 477.543 -0.500 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)c1 ZINC000021489091 1069013314 /nfs/dbraw/zinc/01/33/14/1069013314.db2.gz VKYFOOVRMHWFTG-UHFFFAOYSA-N 0 0 491.636 -0.390 20 0 JBADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000021489359 1069013225 /nfs/dbraw/zinc/01/32/25/1069013225.db2.gz ALUDVRGUBGKCBP-UHFFFAOYSA-N 0 0 452.331 -0.970 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000021490378 1067731067 /nfs/dbraw/zinc/73/10/67/1067731067.db2.gz CAAGMWURYIBIDJ-UHFFFAOYSA-N 0 0 468.561 -0.158 20 0 JBADRN Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(S(=O)(=O)N(C)C)c1C ZINC000021490714 1067639294 /nfs/dbraw/zinc/63/92/94/1067639294.db2.gz KHAQDEAXWWLXJM-UHFFFAOYSA-N 0 0 452.489 -0.427 20 0 JBADRN O=C(CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1)N1CCCC1 ZINC000021583081 1068366576 /nfs/dbraw/zinc/36/65/76/1068366576.db2.gz MFWGGKQZYZLRBE-UHFFFAOYSA-N 0 0 481.594 -0.101 20 0 JBADRN Cn1c(N)c(C(=O)COC(=O)CCNC(=O)c2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000021606525 1069013294 /nfs/dbraw/zinc/01/32/94/1069013294.db2.gz XQLXXMDIDUBQMD-UHFFFAOYSA-N 0 0 467.276 -0.025 20 0 JBADRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000021637069 1068366356 /nfs/dbraw/zinc/36/63/56/1068366356.db2.gz ZVVYPDGJEIQAPH-UHFFFAOYSA-N 0 0 498.583 -0.014 20 0 JBADRN CCn1c(=O)c2ccccc2n(CC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1=O ZINC000021675719 1069013196 /nfs/dbraw/zinc/01/31/96/1069013196.db2.gz DMQBDBUWBXKKAQ-UHFFFAOYSA-N 0 0 486.529 -0.049 20 0 JBADRN COCCn1c(N)c(C(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c(=O)[nH]c1=O ZINC000021691051 1068366645 /nfs/dbraw/zinc/36/66/45/1068366645.db2.gz OQOGUHYXBUJYAY-UHFFFAOYSA-N 0 0 451.509 -0.497 20 0 JBADRN CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000021759984 1068440222 /nfs/dbraw/zinc/44/02/22/1068440222.db2.gz ZAQBUDZOTQLUCY-UHFFFAOYSA-N 0 0 488.632 -0.118 20 0 JBADRN 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CCCn1c(N)c(N(CCOC)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(=O)[nH]c1=O ZINC000021848008 1067642404 /nfs/dbraw/zinc/64/24/04/1067642404.db2.gz YHTXTXWAYXWQOA-UHFFFAOYSA-N 0 0 452.493 -0.994 20 0 JBADRN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 ZINC000021852238 1067642458 /nfs/dbraw/zinc/64/24/58/1067642458.db2.gz OYQDFSXIYXHFAE-UHFFFAOYSA-N 0 0 468.513 -0.084 20 0 JBADRN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 ZINC000021853094 1067643212 /nfs/dbraw/zinc/64/32/12/1067643212.db2.gz GEWLAWLQYSWIFR-UHFFFAOYSA-N 0 0 468.513 -0.967 20 0 JBADRN CC(C)Cn1c(N)c(C(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(=O)n(C)c1=O ZINC000021853676 1067642489 /nfs/dbraw/zinc/64/24/89/1067642489.db2.gz KANSRACYAKHGAR-UHFFFAOYSA-N 0 0 465.488 -0.991 20 0 JBADRN Cn1c(=O)c(C(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(N)n(Cc2ccccc2)c1=O ZINC000021853691 1067642371 /nfs/dbraw/zinc/64/23/71/1067642371.db2.gz WLKFOXLRCOPNKT-UHFFFAOYSA-N 0 0 499.505 -0.599 20 0 JBADRN O=C(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000021854626 1067643002 /nfs/dbraw/zinc/64/30/02/1067643002.db2.gz IIUBPMJHGOKEEP-UHFFFAOYSA-N 0 0 494.551 -0.440 20 0 JBADRN CCCCN(C(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@@H]1CCS(=O)(=O)C1 ZINC000021855110 1067643250 /nfs/dbraw/zinc/64/32/50/1067643250.db2.gz RMUXJJWGROIWJW-OAHLLOKOSA-N 0 0 459.546 -0.157 20 0 JBADRN CCCCN(C(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@H]1CCS(=O)(=O)C1 ZINC000021855114 1067643184 /nfs/dbraw/zinc/64/31/84/1067643184.db2.gz RMUXJJWGROIWJW-HNNXBMFYSA-N 0 0 459.546 -0.157 20 0 JBADRN CC(C)CN(C(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@@H]1CCS(=O)(=O)C1 ZINC000021855119 1067643154 /nfs/dbraw/zinc/64/31/54/1067643154.db2.gz WPKHWCZBVMYEMH-OAHLLOKOSA-N 0 0 459.546 -0.301 20 0 JBADRN CC(C)CN(C(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@H]1CCS(=O)(=O)C1 ZINC000021855124 1067643107 /nfs/dbraw/zinc/64/31/07/1067643107.db2.gz WPKHWCZBVMYEMH-HNNXBMFYSA-N 0 0 459.546 -0.301 20 0 JBADRN 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/nfs/dbraw/zinc/91/71/77/1067917177.db2.gz WVPBBJVERHENGV-UXHICEINSA-N 0 0 485.628 -0.302 20 0 JBADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)CC2)cc1 ZINC000508385559 1067917459 /nfs/dbraw/zinc/91/74/59/1067917459.db2.gz WVPBBJVERHENGV-VQTJNVASSA-N 0 0 485.628 -0.302 20 0 JBADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)CC2)cc1 ZINC000508385562 1067917420 /nfs/dbraw/zinc/91/74/20/1067917420.db2.gz WVPBBJVERHENGV-WOJBJXKFSA-N 0 0 485.628 -0.302 20 0 JBADRN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000508385698 1067917470 /nfs/dbraw/zinc/91/74/70/1067917470.db2.gz XJEMAEUNVFORBG-CVEARBPZSA-N 0 0 474.377 -0.129 20 0 JBADRN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000508385705 1067917428 /nfs/dbraw/zinc/91/74/28/1067917428.db2.gz XJEMAEUNVFORBG-HOTGVXAUSA-N 0 0 474.377 -0.129 20 0 JBADRN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000508385986 1067917074 /nfs/dbraw/zinc/91/70/74/1067917074.db2.gz XJEMAEUNVFORBG-HZPDHXFCSA-N 0 0 474.377 -0.129 20 0 JBADRN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000508385987 1067917180 /nfs/dbraw/zinc/91/71/80/1067917180.db2.gz XJEMAEUNVFORBG-JKSUJKDBSA-N 0 0 474.377 -0.129 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 ZINC000508386634 1067917485 /nfs/dbraw/zinc/91/74/85/1067917485.db2.gz GWRPALGOYKTFMY-PMACEKPBSA-N 0 0 487.644 -0.048 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 ZINC000508386637 1067917451 /nfs/dbraw/zinc/91/74/51/1067917451.db2.gz GWRPALGOYKTFMY-UXHICEINSA-N 0 0 487.644 -0.048 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000508386640 1067917444 /nfs/dbraw/zinc/91/74/44/1067917444.db2.gz GWRPALGOYKTFMY-VQTJNVASSA-N 0 0 487.644 -0.048 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000508386642 1067917381 /nfs/dbraw/zinc/91/73/81/1067917381.db2.gz GWRPALGOYKTFMY-WOJBJXKFSA-N 0 0 487.644 -0.048 20 0 JBADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000508386685 1067917962 /nfs/dbraw/zinc/91/79/62/1067917962.db2.gz HAJOUKMYKZOHIE-CABCVRRESA-N 0 0 490.508 -0.005 20 0 JBADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000508386694 1067917815 /nfs/dbraw/zinc/91/78/15/1067917815.db2.gz HAJOUKMYKZOHIE-GJZGRUSLSA-N 0 0 490.508 -0.005 20 0 JBADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000508386699 1067917745 /nfs/dbraw/zinc/91/77/45/1067917745.db2.gz HAJOUKMYKZOHIE-HUUCEWRRSA-N 0 0 490.508 -0.005 20 0 JBADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000508386703 1067917880 /nfs/dbraw/zinc/91/78/80/1067917880.db2.gz HAJOUKMYKZOHIE-LSDHHAIUSA-N 0 0 490.508 -0.005 20 0 JBADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000508387096 1067917346 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/nfs/dbraw/zinc/91/74/02/1067917402.db2.gz HYTFHGMNKOJJQX-OALUTQOASA-N 0 0 453.561 -0.103 20 0 JBADRN CCCCOc1ccc(C(=O)NCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000508387207 1067917439 /nfs/dbraw/zinc/91/74/39/1067917439.db2.gz HYTFHGMNKOJJQX-RBUKOAKNSA-N 0 0 453.561 -0.103 20 0 JBADRN CCCCOc1ccc(C(=O)NCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000508387211 1067917415 /nfs/dbraw/zinc/91/74/15/1067917415.db2.gz HYTFHGMNKOJJQX-RTBURBONSA-N 0 0 453.561 -0.103 20 0 JBADRN O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000508387807 1067917940 /nfs/dbraw/zinc/91/79/40/1067917940.db2.gz JVNJNYJWYYLZLL-BHIYHBOVSA-N 0 0 487.600 -0.629 20 0 JBADRN O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000508387815 1067917853 /nfs/dbraw/zinc/91/78/53/1067917853.db2.gz JVNJNYJWYYLZLL-QRQLOZEOSA-N 0 0 487.600 -0.629 20 0 JBADRN O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000508387818 1067917835 /nfs/dbraw/zinc/91/78/35/1067917835.db2.gz JVNJNYJWYYLZLL-QXAKKESOSA-N 0 0 487.600 -0.629 20 0 JBADRN O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000508387821 1067917973 /nfs/dbraw/zinc/91/79/73/1067917973.db2.gz JVNJNYJWYYLZLL-UHOSZYNNSA-N 0 0 487.600 -0.629 20 0 JBADRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000508388559 1067918393 /nfs/dbraw/zinc/91/83/93/1067918393.db2.gz LRGNDPJBCQYAKQ-ATZDWAIDSA-N 0 0 489.591 -0.472 20 0 JBADRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000508388563 1067918381 /nfs/dbraw/zinc/91/83/81/1067918381.db2.gz LRGNDPJBCQYAKQ-AYOQOUSVSA-N 0 0 489.591 -0.472 20 0 JBADRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000508388567 1067918270 /nfs/dbraw/zinc/91/82/70/1067918270.db2.gz LRGNDPJBCQYAKQ-LZQZEXGQSA-N 0 0 489.591 -0.472 20 0 JBADRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000508388570 1067918367 /nfs/dbraw/zinc/91/83/67/1067918367.db2.gz LRGNDPJBCQYAKQ-MNEFBYGVSA-N 0 0 489.591 -0.472 20 0 JBADRN CCOc1ccc(C(=O)NCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1OCC ZINC000508388868 1067918350 /nfs/dbraw/zinc/91/83/50/1067918350.db2.gz MDDLRICOURVUJA-DLBZAZTESA-N 0 0 469.560 -0.484 20 0 JBADRN CCOc1ccc(C(=O)NCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1OCC ZINC000508388871 1067918374 /nfs/dbraw/zinc/91/83/74/1067918374.db2.gz MDDLRICOURVUJA-IAGOWNOFSA-N 0 0 469.560 -0.484 20 0 JBADRN CCOc1ccc(C(=O)NCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1OCC ZINC000508388873 1067918398 /nfs/dbraw/zinc/91/83/98/1067918398.db2.gz MDDLRICOURVUJA-IRXDYDNUSA-N 0 0 469.560 -0.484 20 0 JBADRN CCOc1ccc(C(=O)NCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1OCC ZINC000508388876 1067918344 /nfs/dbraw/zinc/91/83/44/1067918344.db2.gz MDDLRICOURVUJA-SJORKVTESA-N 0 0 469.560 -0.484 20 0 JBADRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3C(=O)N3CCN(C)CC3)c2)CC1 ZINC000508389946 1067918421 /nfs/dbraw/zinc/91/84/21/1067918421.db2.gz ONGOAQQVECLJSW-NRFANRHFSA-N 0 0 491.614 -0.082 20 0 JBADRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C(=O)N3CCN(C)CC3)c2)CC1 ZINC000508389950 1067918330 /nfs/dbraw/zinc/91/83/30/1067918330.db2.gz ONGOAQQVECLJSW-OAQYLSRUSA-N 0 0 491.614 -0.082 20 0 JBADRN O=C(CNC(=O)c1ccc(Br)o1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000508389981 1067918386 /nfs/dbraw/zinc/91/83/86/1067918386.db2.gz OVGHIAUYLUBSPF-GHMZBOCLSA-N 0 0 450.311 -0.926 20 0 JBADRN O=C(CNC(=O)c1ccc(Br)o1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000508389982 1067918726 /nfs/dbraw/zinc/91/87/26/1067918726.db2.gz OVGHIAUYLUBSPF-MNOVXSKESA-N 0 0 450.311 -0.926 20 0 JBADRN O=C(CNC(=O)c1ccc(Br)o1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000508389983 1067918813 /nfs/dbraw/zinc/91/88/13/1067918813.db2.gz OVGHIAUYLUBSPF-QWRGUYRKSA-N 0 0 450.311 -0.926 20 0 JBADRN O=C(CNC(=O)c1ccc(Br)o1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000508389984 1067918802 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NS(=O)(=O)N1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)CC1 ZINC000817840088 1068549096 /nfs/dbraw/zinc/54/90/96/1068549096.db2.gz WKZLMGAMEBVPLL-RVDMUPIBSA-N 0 0 471.536 -0.201 20 0 JBADRN O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000818029188 1068549414 /nfs/dbraw/zinc/54/94/14/1068549414.db2.gz OEARMOLAIPQOOA-UHFFFAOYSA-N 0 0 450.879 -0.405 20 0 JBADRN CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000818036662 1068549380 /nfs/dbraw/zinc/54/93/80/1068549380.db2.gz YGJWMIZQYCTOOY-UHFFFAOYSA-N 0 0 462.550 -0.308 20 0 JBADRN COc1cccc(/C=C(/C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)n2nnnc2C)c1 ZINC000818038949 1068549877 /nfs/dbraw/zinc/54/98/77/1068549877.db2.gz PFAVRMITBBDNRE-HKWRFOASSA-N 0 0 455.519 -0.009 20 0 JBADRN COc1cccc(/C=C(\C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)n2nnnc2C)c1 ZINC000818038950 1068549864 /nfs/dbraw/zinc/54/98/64/1068549864.db2.gz PFAVRMITBBDNRE-HMMYKYKNSA-N 0 0 455.519 -0.009 20 0 JBADRN COc1cccc(/C=C(/C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n2nnnc2C)c1 ZINC000818082097 1068549765 /nfs/dbraw/zinc/54/97/65/1068549765.db2.gz IJEHBEYOLUNUMP-CYVLTUHYSA-N 0 0 469.502 -0.482 20 0 JBADRN COc1cccc(/C=C(\C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n2nnnc2C)c1 ZINC000818082098 1068549891 /nfs/dbraw/zinc/54/98/91/1068549891.db2.gz IJEHBEYOLUNUMP-XDJHFCHBSA-N 0 0 469.502 -0.482 20 0 JBADRN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000818082476 1068549223 /nfs/dbraw/zinc/54/92/23/1068549223.db2.gz LUDGDUJSASHGLW-JXAWBTAJSA-N 0 0 457.466 -0.352 20 0 JBADRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000818082477 1068549406 /nfs/dbraw/zinc/54/94/06/1068549406.db2.gz LUDGDUJSASHGLW-NBVRZTHBSA-N 0 0 457.466 -0.352 20 0 JBADRN COc1cccc(/C=C(/C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n2nnnc2C)c1 ZINC000818111321 1068549711 /nfs/dbraw/zinc/54/97/11/1068549711.db2.gz MHNSARUNRGUBOQ-HKWRFOASSA-N 0 0 455.519 -0.009 20 0 JBADRN COc1cccc(/C=C(\C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n2nnnc2C)c1 ZINC000818111322 1068549802 /nfs/dbraw/zinc/54/98/02/1068549802.db2.gz MHNSARUNRGUBOQ-HMMYKYKNSA-N 0 0 455.519 -0.009 20 0 JBADRN Cn1c(N)c(C(=O)COC(=O)CCn2cnc3ccc(Br)cc3c2=O)c(=O)n(C)c1=O ZINC000818121479 1068550532 /nfs/dbraw/zinc/55/05/32/1068550532.db2.gz BPXJTITUVRDOFB-UHFFFAOYSA-N 0 0 492.286 -0.045 20 0 JBADRN COc1cccc(/C=C(\C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)n2nnnc2C)c1 ZINC000818158674 1068549907 /nfs/dbraw/zinc/54/99/07/1068549907.db2.gz JCNKBZRGOQNSCS-LFIBNONCSA-N 0 0 466.458 -0.021 20 0 JBADRN COc1cccc(/C=C(/C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)n2nnnc2C)c1 ZINC000818158681 1068549743 /nfs/dbraw/zinc/54/97/43/1068549743.db2.gz JCNKBZRGOQNSCS-WJDWOHSUSA-N 0 0 466.458 -0.021 20 0 JBADRN COc1cccc(C=C(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n2nnnc2C)c1 ZINC000818159457 1068549690 /nfs/dbraw/zinc/54/96/90/1068549690.db2.gz RXWFHZPQDGRATF-NTEUORMPSA-N 0 0 455.431 -0.606 20 0 JBADRN COc1cccc(C=C(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n2nnnc2C)c1 ZINC000818159463 1068549921 /nfs/dbraw/zinc/54/99/21/1068549921.db2.gz RXWFHZPQDGRATF-ZROIWOOFSA-N 0 0 455.431 -0.606 20 0 JBADRN CCOc1ccc(-n2ncc(C(=O)OCCn3cnc4c3c(=O)n(C)c(=O)n4C)c2C)nn1 ZINC000818181767 1068549840 /nfs/dbraw/zinc/54/98/40/1068549840.db2.gz DPKDESXUYBDETQ-UHFFFAOYSA-N 0 0 454.447 -0.026 20 0 JBADRN Cn1c(N)c(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c(=O)n(C)c1=O ZINC000818191920 1068550464 /nfs/dbraw/zinc/55/04/64/1068550464.db2.gz MEAAIFBTBQYBDC-UHFFFAOYSA-N 0 0 499.933 -0.459 20 0 JBADRN CCOc1ccccc1N1C(=O)C(=O)N(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1=O ZINC000818224797 1068550354 /nfs/dbraw/zinc/55/03/54/1068550354.db2.gz QZZRLWCPOIDBFB-UHFFFAOYSA-N 0 0 473.486 -0.659 20 0 JBADRN O=C(C(=O)N1CCN(Cn2ncc(Br)c(Br)c2=O)CC1)N1CCOCC1 ZINC000818224970 1068550502 /nfs/dbraw/zinc/55/05/02/1068550502.db2.gz USBUKDBNYDYTNT-UHFFFAOYSA-N 0 0 493.156 -0.271 20 0 JBADRN NC(=O)NC(=O)CN1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000818263005 1068550483 /nfs/dbraw/zinc/55/04/83/1068550483.db2.gz BRFQSOBXCSIMLJ-UHFFFAOYSA-N 0 0 470.577 -0.783 20 0 JBADRN CN1CCN(S(=O)(=O)c2ccc(NNC(=S)NCCCN3CCOCC3)nc2)CC1 ZINC000818269294 1068550598 /nfs/dbraw/zinc/55/05/98/1068550598.db2.gz NMLJFXPUVSALLR-UHFFFAOYSA-N 0 0 457.626 -0.469 20 0 JBADRN COCCN1C(=O)C(=C(Nc2cccc3c2C(=O)NC3=O)[C@H](F)C(=O)OC)C(=O)NC1=S ZINC000818338285 1068550614 /nfs/dbraw/zinc/55/06/14/1068550614.db2.gz ZPXBHMXVGMEOTK-KLDSGFLGSA-N 0 0 464.431 -0.363 20 0 JBADRN COCCN1C(=O)C(=C(Nc2cccc3c2C(=O)NC3=O)[C@@H](F)C(=O)OC)C(=O)NC1=S ZINC000818338286 1068550573 /nfs/dbraw/zinc/55/05/73/1068550573.db2.gz ZPXBHMXVGMEOTK-NPRUJURCSA-N 0 0 464.431 -0.363 20 0 JBADRN COCCN1C(=O)C(=C(Nc2cccc3c2C(=O)NC3=O)[C@H](F)C(=O)OC)C(=O)NC1=S ZINC000818338287 1068550314 /nfs/dbraw/zinc/55/03/14/1068550314.db2.gz ZPXBHMXVGMEOTK-OWRWYXLESA-N 0 0 464.431 -0.363 20 0 JBADRN COCCN1C(=O)C(=C(Nc2cccc3c2C(=O)NC3=O)[C@@H](F)C(=O)OC)C(=O)NC1=S ZINC000818338288 1068550588 /nfs/dbraw/zinc/55/05/88/1068550588.db2.gz ZPXBHMXVGMEOTK-RVROTUBLSA-N 0 0 464.431 -0.363 20 0 JBADRN CCOc1ccc(-n2ncc(C(=O)OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2C)nn1 ZINC000818373712 1068551020 /nfs/dbraw/zinc/55/10/20/1068551020.db2.gz CZGTXNFQTQEAOU-INIZCTEOSA-N 0 0 492.558 -0.142 20 0 JBADRN CCOc1ccc(-n2ncc(C(=O)OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2C)nn1 ZINC000818373714 1068550866 /nfs/dbraw/zinc/55/08/66/1068550866.db2.gz CZGTXNFQTQEAOU-MRXNPFEDSA-N 0 0 492.558 -0.142 20 0 JBADRN CCOc1ccc(-n2ncc(C(=O)OCC(=O)N3CCN(CC(=O)N(C)C)CC3)c2C)nn1 ZINC000818373848 1068550933 /nfs/dbraw/zinc/55/09/33/1068550933.db2.gz DPBKJIQHRBKBEA-UHFFFAOYSA-N 0 0 459.507 -0.241 20 0 JBADRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000818373994 1068551008 /nfs/dbraw/zinc/55/10/08/1068551008.db2.gz MHHHTVWNWYCGSB-GFKDLEGOSA-N 0 0 466.451 -0.325 20 0 JBADRN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000818373997 1068551100 /nfs/dbraw/zinc/55/11/00/1068551100.db2.gz MHHHTVWNWYCGSB-QDECMSLZSA-N 0 0 466.451 -0.325 20 0 JBADRN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000818373998 1068550847 /nfs/dbraw/zinc/55/08/47/1068550847.db2.gz MHHHTVWNWYCGSB-QVTJDRNWSA-N 0 0 466.451 -0.325 20 0 JBADRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000818373999 1068550980 /nfs/dbraw/zinc/55/09/80/1068550980.db2.gz MHHHTVWNWYCGSB-VLHYRRCOSA-N 0 0 466.451 -0.325 20 0 JBADRN Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000818374088 1068550584 /nfs/dbraw/zinc/55/05/84/1068550584.db2.gz ATNJCIXPFKFZKK-GFKDLEGOSA-N 0 0 466.451 -0.325 20 0 JBADRN Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000818374089 1068550450 /nfs/dbraw/zinc/55/04/50/1068550450.db2.gz ATNJCIXPFKFZKK-QDECMSLZSA-N 0 0 466.451 -0.325 20 0 JBADRN Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000818374090 1068550425 /nfs/dbraw/zinc/55/04/25/1068550425.db2.gz ATNJCIXPFKFZKK-QVTJDRNWSA-N 0 0 466.451 -0.325 20 0 JBADRN Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000818374091 1068550593 /nfs/dbraw/zinc/55/05/93/1068550593.db2.gz ATNJCIXPFKFZKK-VLHYRRCOSA-N 0 0 466.451 -0.325 20 0 JBADRN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000818375520 1068551109 /nfs/dbraw/zinc/55/11/09/1068551109.db2.gz URFCTAMSLOOYNY-GEBKJHSDSA-N 0 0 492.533 -0.007 20 0 JBADRN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000818375524 1068550947 /nfs/dbraw/zinc/55/09/47/1068550947.db2.gz URFCTAMSLOOYNY-IZILLXMLSA-N 0 0 492.533 -0.007 20 0 JBADRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000818375527 1068551035 /nfs/dbraw/zinc/55/10/35/1068551035.db2.gz URFCTAMSLOOYNY-LPGQDOADSA-N 0 0 492.533 -0.007 20 0 JBADRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000818375530 1068550995 /nfs/dbraw/zinc/55/09/95/1068550995.db2.gz URFCTAMSLOOYNY-LSCADSNKSA-N 0 0 492.533 -0.007 20 0 JBADRN 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COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)Cn1ccc(=O)n(C)c1=O ZINC000915394395 1068111589 /nfs/dbraw/zinc/11/15/89/1068111589.db2.gz WVMONQYSMYKFPD-LBPRGKRZSA-N 0 0 468.488 -0.624 20 0 JBADRN CCc1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cnc2ncnn21 ZINC000915394533 1068111568 /nfs/dbraw/zinc/11/15/68/1068111568.db2.gz WNSHJVOJRPODIS-UHFFFAOYSA-N 0 0 477.503 -0.019 20 0 JBADRN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000915394644 1068110252 /nfs/dbraw/zinc/11/02/52/1068110252.db2.gz ORBLYYWOFWSWOO-CYBMUJFWSA-N 0 0 452.489 -0.196 20 0 JBADRN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000915394645 1068110202 /nfs/dbraw/zinc/11/02/02/1068110202.db2.gz ORBLYYWOFWSWOO-ZDUSSCGKSA-N 0 0 452.489 -0.196 20 0 JBADRN Cn1c(=O)ccn(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1=O ZINC000915394729 1068111548 /nfs/dbraw/zinc/11/15/48/1068111548.db2.gz QCVIWOGZZQZGQN-UHFFFAOYSA-N 0 0 484.918 -0.723 20 0 JBADRN CCCN(C(=O)COC(=O)Cn1ccc(=O)n(C)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000915394754 1068111539 /nfs/dbraw/zinc/11/15/39/1068111539.db2.gz RAZXMOGSEVDYOX-UHFFFAOYSA-N 0 0 498.496 -0.574 20 0 JBADRN Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)c2sccc2-n2cnnn2)CC1 ZINC000915394847 1068111571 /nfs/dbraw/zinc/11/15/71/1068111571.db2.gz GBCIIKMUBMLNBE-UHFFFAOYSA-N 0 0 454.476 -0.094 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cn1ccc(=O)n(C)c1=O ZINC000915394906 1068111594 /nfs/dbraw/zinc/11/15/94/1068111594.db2.gz RTMXMABTKSJIPC-UHFFFAOYSA-N 0 0 494.526 -0.088 20 0 JBADRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000915395657 1068111513 /nfs/dbraw/zinc/11/15/13/1068111513.db2.gz YUECVDZDZDLQPM-GOSISDBHSA-N 0 0 480.587 -0.137 20 0 JBADRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000915395658 1068111608 /nfs/dbraw/zinc/11/16/08/1068111608.db2.gz YUECVDZDZDLQPM-SFHVURJKSA-N 0 0 480.587 -0.137 20 0 JBADRN Cn1c(=O)c(C(=O)COC(=O)CNS(=O)(=O)c2cccs2)c(N)n(Cc2ccccc2)c1=O ZINC000915396155 1068111556 /nfs/dbraw/zinc/11/15/56/1068111556.db2.gz FZPBOXWIGSAFLU-UHFFFAOYSA-N 0 0 492.535 -0.057 20 0 JBADRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000915396722 1068111598 /nfs/dbraw/zinc/11/15/98/1068111598.db2.gz RMOMXQRLKLPNRW-GFCCVEGCSA-N 0 0 475.570 -0.036 20 0 JBADRN C[C@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000915396914 1068111531 /nfs/dbraw/zinc/11/15/31/1068111531.db2.gz RMOMXQRLKLPNRW-LBPRGKRZSA-N 0 0 475.570 -0.036 20 0 JBADRN O=C(CNS(=O)(=O)c1cccs1)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000915396922 1068112200 /nfs/dbraw/zinc/11/22/00/1068112200.db2.gz RWWKCCHFDLVCFG-KBPBESRZSA-N 0 0 480.586 -0.236 20 0 JBADRN O=C(CNS(=O)(=O)c1cccs1)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000915396923 1068112342 /nfs/dbraw/zinc/11/23/42/1068112342.db2.gz RWWKCCHFDLVCFG-KGLIPLIRSA-N 0 0 480.586 -0.236 20 0 JBADRN O=C(CNS(=O)(=O)c1cccs1)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000915396924 1068112325 /nfs/dbraw/zinc/11/23/25/1068112325.db2.gz RWWKCCHFDLVCFG-UONOGXRCSA-N 0 0 480.586 -0.236 20 0 JBADRN O=C(CNS(=O)(=O)c1cccs1)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000915396926 1068112178 /nfs/dbraw/zinc/11/21/78/1068112178.db2.gz RWWKCCHFDLVCFG-ZIAGYGMSSA-N 0 0 480.586 -0.236 20 0 JBADRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000915397225 1068112215 /nfs/dbraw/zinc/11/22/15/1068112215.db2.gz YWGONKDALNJYNP-UHFFFAOYSA-N 0 0 460.578 -0.372 20 0 JBADRN CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cn2ccc(=O)n(C)c2=O)ccc1Cl ZINC000915397729 1068112126 /nfs/dbraw/zinc/11/21/26/1068112126.db2.gz BZISSWFGJCATME-UHFFFAOYSA-N 0 0 458.880 -0.367 20 0 JBADRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COC(=O)Cn3ccc(=O)n(C)c3=O)cc2)C[C@H](C)O1 ZINC000915397737 1068112146 /nfs/dbraw/zinc/11/21/46/1068112146.db2.gz CAYGAYKNWBQQHC-GASCZTMLSA-N 0 0 494.526 -0.473 20 0 JBADRN 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CN(CCCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)S(C)(=O)=O ZINC000918962188 1068217556 /nfs/dbraw/zinc/21/75/56/1068217556.db2.gz GPMIMXPAWUURAM-CQSZACIVSA-N 0 0 469.516 -0.248 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000918962362 1068217546 /nfs/dbraw/zinc/21/75/46/1068217546.db2.gz QZOXWKDCOBWNGF-UHFFFAOYSA-N 0 0 471.532 -0.213 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000918962391 1068217479 /nfs/dbraw/zinc/21/74/79/1068217479.db2.gz SIJMHMDSNDIPPG-INIZCTEOSA-N 0 0 484.575 -0.061 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N[C@H](C)C(=O)N2CCCCC2)c1 ZINC000918962392 1068217536 /nfs/dbraw/zinc/21/75/36/1068217536.db2.gz SIJMHMDSNDIPPG-MRXNPFEDSA-N 0 0 484.575 -0.061 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000918962471 1068217386 /nfs/dbraw/zinc/21/73/86/1068217386.db2.gz YLPVMWVEMCSMCK-UHFFFAOYSA-N 0 0 482.559 -0.497 20 0 JBADRN CC(C)N(CCCNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F)S(C)(=O)=O ZINC000918965573 1068218111 /nfs/dbraw/zinc/21/81/11/1068218111.db2.gz INXYALXCIXNIKJ-UHFFFAOYSA-N 0 0 453.514 -0.194 20 0 JBADRN CN(CCCNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Br)S(C)(=O)=O ZINC000918966067 1068217298 /nfs/dbraw/zinc/21/72/98/1068217298.db2.gz OKLJQUUDHIADEN-UHFFFAOYSA-N 0 0 486.366 -0.349 20 0 JBADRN C[C@@H](NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)C ZINC000918966347 1068218142 /nfs/dbraw/zinc/21/81/42/1068218142.db2.gz JEPADDGGTJZWDQ-CYBMUJFWSA-N 0 0 457.505 -0.348 20 0 JBADRN C[C@H](NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)C ZINC000918966348 1068218007 /nfs/dbraw/zinc/21/80/07/1068218007.db2.gz JEPADDGGTJZWDQ-ZDUSSCGKSA-N 0 0 457.505 -0.348 20 0 JBADRN CN(CCCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)S(C)(=O)=O ZINC000918967510 1068218051 /nfs/dbraw/zinc/21/80/51/1068218051.db2.gz MXCUAIUWQKONQF-UHFFFAOYSA-N 0 0 455.942 -0.441 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1 ZINC000918967683 1068218173 /nfs/dbraw/zinc/21/81/73/1068218173.db2.gz BMMQWNKQDVZVOA-AWEZNQCLSA-N 0 0 468.532 -0.016 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@H](C)C(=O)N2CCCCC2)cc1 ZINC000918967684 1068218196 /nfs/dbraw/zinc/21/81/96/1068218196.db2.gz BMMQWNKQDVZVOA-CQSZACIVSA-N 0 0 468.532 -0.016 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000918967922 1068217897 /nfs/dbraw/zinc/21/78/97/1068217897.db2.gz KUEVSBXPJBYCCC-UHFFFAOYSA-N 0 0 455.489 -0.168 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000918968034 1068217929 /nfs/dbraw/zinc/21/79/29/1068217929.db2.gz ONBNXQHHZUFQQO-INIZCTEOSA-N 0 0 454.505 -0.406 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000918968035 1068218131 /nfs/dbraw/zinc/21/81/31/1068218131.db2.gz ONBNXQHHZUFQQO-MRXNPFEDSA-N 0 0 454.505 -0.406 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000918968187 1068218149 /nfs/dbraw/zinc/21/81/49/1068218149.db2.gz ZJDUPKYSESRLPD-UHFFFAOYSA-N 0 0 466.516 -0.453 20 0 JBADRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O ZINC000918969664 1068218562 /nfs/dbraw/zinc/21/85/62/1068218562.db2.gz JVEGTWJVCVQDMJ-LBPRGKRZSA-N 0 0 469.969 -0.052 20 0 JBADRN Cc1cc(N2CCN(C(=O)COC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)nc(C(C)C)n1 ZINC000918971813 1068218527 /nfs/dbraw/zinc/21/85/27/1068218527.db2.gz AEUVLWRTVOZSQT-UHFFFAOYSA-N 0 0 498.544 -0.452 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NC1CCN(C(=O)C3CCCCC3)CC1)c(=O)n2C ZINC000918971939 1068218618 /nfs/dbraw/zinc/21/86/18/1068218618.db2.gz CBTKOGCVYQHQPH-UHFFFAOYSA-N 0 0 488.545 -0.336 20 0 JBADRN C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)C1 ZINC000918971957 1068218630 /nfs/dbraw/zinc/21/86/30/1068218630.db2.gz DGNJBWBJZXXXPG-HNNXBMFYSA-N 0 0 488.545 -0.526 20 0 JBADRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)C1 ZINC000918971958 1068218591 /nfs/dbraw/zinc/21/85/91/1068218591.db2.gz DGNJBWBJZXXXPG-OAHLLOKOSA-N 0 0 488.545 -0.526 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CCC(NC(=O)c3ccccc3)CC1)c(=O)n2C ZINC000918971984 1068218572 /nfs/dbraw/zinc/21/85/72/1068218572.db2.gz DWBORCWIUFBZJQ-UHFFFAOYSA-N 0 0 482.497 -0.602 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CCN(Cc3ccsc3)CC1)c(=O)n2C ZINC000918972311 1068218684 /nfs/dbraw/zinc/21/86/84/1068218684.db2.gz GNHIFVZASIMRFL-UHFFFAOYSA-N 0 0 460.516 -0.617 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCc1ccccc1CN1CCCC1=O)c(=O)n2C ZINC000918972327 1068218644 /nfs/dbraw/zinc/21/86/44/1068218644.db2.gz HRERDINMIBLVJU-UHFFFAOYSA-N 0 0 482.497 -0.584 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NC[C@@H]1CCN(c3ccccc3)C1)c(=O)n2C ZINC000918972329 1068218669 /nfs/dbraw/zinc/21/86/69/1068218669.db2.gz HSOUJUCCZBFAPE-HNNXBMFYSA-N 0 0 454.487 -0.380 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NC[C@H]1CCN(c3ccccc3)C1)c(=O)n2C ZINC000918972330 1068218713 /nfs/dbraw/zinc/21/87/13/1068218713.db2.gz HSOUJUCCZBFAPE-OAHLLOKOSA-N 0 0 454.487 -0.380 20 0 JBADRN CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000918972355 1068218567 /nfs/dbraw/zinc/21/85/67/1068218567.db2.gz IXCXNSUPDNSZNH-UHFFFAOYSA-N 0 0 462.507 -0.918 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CCC(C(=O)N3CCCCCC3)CC1)c(=O)n2C ZINC000918973385 1068218727 /nfs/dbraw/zinc/21/87/27/1068218727.db2.gz MPKMHSKQRBDISN-UHFFFAOYSA-N 0 0 488.545 -0.382 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCc1nnnn1-c1ccc(OC(F)F)cc1)c(=O)n2C ZINC000918973487 1068218609 /nfs/dbraw/zinc/21/86/09/1068218609.db2.gz NSINYRDMSXYOGN-UHFFFAOYSA-N 0 0 462.373 -0.246 20 0 JBADRN COc1cc(OC)c(CNC(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(OC)c1 ZINC000918974155 1068218553 /nfs/dbraw/zinc/21/85/53/1068218553.db2.gz PWEYDHHFSLLKKJ-UHFFFAOYSA-N 0 0 475.458 -0.681 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCC1(c3ccccc3)CCOCC1)c(=O)n2C ZINC000918974235 1068218558 /nfs/dbraw/zinc/21/85/58/1068218558.db2.gz RRJFGWSCJNPAGX-UHFFFAOYSA-N 0 0 469.498 -0.159 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCc1cccc(C(=O)NC3CC3)c1)c(=O)n2C ZINC000918974284 1068218545 /nfs/dbraw/zinc/21/85/45/1068218545.db2.gz UAHOYLLYOJUUBH-UHFFFAOYSA-N 0 0 468.470 -0.815 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCc1ccc(N3CCCC3=O)cc1)c(=O)n2C ZINC000918974915 1068219162 /nfs/dbraw/zinc/21/91/62/1068219162.db2.gz UUNDMTJJSWWBEH-UHFFFAOYSA-N 0 0 468.470 -0.580 20 0 JBADRN COC(=O)Nc1ccc(CNC(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000918974918 1068219134 /nfs/dbraw/zinc/21/91/34/1068219134.db2.gz UYORIDNWUHNGLL-UHFFFAOYSA-N 0 0 458.431 -0.528 20 0 JBADRN Cc1ccccc1C(=O)NC1CCN(C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000918974935 1068219240 /nfs/dbraw/zinc/21/92/40/1068219240.db2.gz VUVHLFREYNGPHQ-UHFFFAOYSA-N 0 0 496.524 -0.294 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CCO[C@H](c3ccc(F)cc3)C1)c(=O)n2C ZINC000918974992 1068219149 /nfs/dbraw/zinc/21/91/49/1068219149.db2.gz XYWOVUJVCYEOTL-HNNXBMFYSA-N 0 0 459.434 -0.284 20 0 JBADRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CCO[C@@H](c3ccc(F)cc3)C1)c(=O)n2C ZINC000918974993 1068219273 /nfs/dbraw/zinc/21/92/73/1068219273.db2.gz XYWOVUJVCYEOTL-OAHLLOKOSA-N 0 0 459.434 -0.284 20 0 JBADRN CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000918975243 1068219143 /nfs/dbraw/zinc/21/91/43/1068219143.db2.gz ZOXPKKIOGUZOSU-UHFFFAOYSA-N 0 0 476.534 -0.622 20 0 JBADRN CN(CCCNC(=O)COC(=O)CNC(=O)c1ccc(Br)o1)S(C)(=O)=O ZINC000918977298 1068218065 /nfs/dbraw/zinc/21/80/65/1068218065.db2.gz MGVBOBGGWUTKJC-UHFFFAOYSA-N 0 0 454.299 -0.287 20 0 JBADRN C[C@H](NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)N(C)C ZINC000918980494 1068218083 /nfs/dbraw/zinc/21/80/83/1068218083.db2.gz GIBZPJPLCZEASB-AWEZNQCLSA-N 0 0 483.543 -0.005 20 0 JBADRN C[C@@H](NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)N(C)C ZINC000918980495 1068217951 /nfs/dbraw/zinc/21/79/51/1068217951.db2.gz GIBZPJPLCZEASB-CQSZACIVSA-N 0 0 483.543 -0.005 20 0 JBADRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000918980671 1068217973 /nfs/dbraw/zinc/21/79/73/1068217973.db2.gz ONHYCQPNNSTTNJ-UHFFFAOYSA-N 0 0 494.492 -0.241 20 0 JBADRN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O ZINC000918985422 1068218030 /nfs/dbraw/zinc/21/80/30/1068218030.db2.gz ZLZSUAOIVVWPAV-LBPRGKRZSA-N 0 0 453.514 -0.567 20 0 JBADRN C[C@H](NC(=O)COC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N1CCCCC1 ZINC000918990575 1068219304 /nfs/dbraw/zinc/21/93/04/1068219304.db2.gz BGZMDQBMMVNTAP-HNNXBMFYSA-N 0 0 482.559 -0.273 20 0 JBADRN C[C@@H](NC(=O)COC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N1CCCCC1 ZINC000918990578 1068219222 /nfs/dbraw/zinc/21/92/22/1068219222.db2.gz BGZMDQBMMVNTAP-OAHLLOKOSA-N 0 0 482.559 -0.273 20 0 JBADRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000918990785 1068219200 /nfs/dbraw/zinc/21/92/00/1068219200.db2.gz FKIKZCRXACVYLE-UHFFFAOYSA-N 0 0 469.516 -0.425 20 0 JBADRN 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ZINC000919142107 1068230641 /nfs/dbraw/zinc/23/06/41/1068230641.db2.gz WOSNJDBKWYIQCQ-UHFFFAOYSA-N 0 0 451.545 -0.011 20 0 JBADRN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)CN1CCS(=O)(=O)CC1 ZINC000919142212 1068230924 /nfs/dbraw/zinc/23/09/24/1068230924.db2.gz WUUPMJMQRBXXGV-UHFFFAOYSA-N 0 0 473.573 -0.510 20 0 JBADRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)OC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000919142213 1068231642 /nfs/dbraw/zinc/23/16/42/1068231642.db2.gz WXTVPPDILLHYRW-GFCCVEGCSA-N 0 0 456.473 -0.140 20 0 JBADRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)OC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000919142214 1068231670 /nfs/dbraw/zinc/23/16/70/1068231670.db2.gz WXTVPPDILLHYRW-LBPRGKRZSA-N 0 0 456.473 -0.140 20 0 JBADRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)CN3CCS(=O)(=O)CC3)CC2)cc1 ZINC000919142216 1068231542 /nfs/dbraw/zinc/23/15/42/1068231542.db2.gz XENLEGACOICMKG-KRWDZBQOSA-N 0 0 487.600 -0.510 20 0 JBADRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)CN3CCS(=O)(=O)CC3)CC2)cc1 ZINC000919142217 1068231770 /nfs/dbraw/zinc/23/17/70/1068231770.db2.gz XENLEGACOICMKG-QGZVFWFLSA-N 0 0 487.600 -0.510 20 0 JBADRN O=C(COC(=O)CN1CCS(=O)(=O)CC1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000919142250 1068231443 /nfs/dbraw/zinc/23/14/43/1068231443.db2.gz ZNLFRNUEIRMCDS-GDNBJRDFSA-N 0 0 482.540 -0.492 20 0 JBADRN O=C(COC(=O)CN1CCS(=O)(=O)CC1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000919142251 1068231702 /nfs/dbraw/zinc/23/17/02/1068231702.db2.gz ZNLFRNUEIRMCDS-XNTDXEJSSA-N 0 0 482.540 -0.492 20 0 JBADRN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cc3nc4ncccn4n3)CC2)cc1 ZINC000919143993 1068231720 /nfs/dbraw/zinc/23/17/20/1068231720.db2.gz JUMONKRZISPDML-UHFFFAOYSA-N 0 0 486.510 -0.054 20 0 JBADRN O=C(Cc1nc2ncccn2n1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000919144066 1068231562 /nfs/dbraw/zinc/23/15/62/1068231562.db2.gz LKVKFHHELCOXDN-UHFFFAOYSA-N 0 0 462.463 -0.118 20 0 JBADRN O=C(COC(=O)Cc1nc2ncccn2n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000919144072 1068231591 /nfs/dbraw/zinc/23/15/91/1068231591.db2.gz LOWJAOUSHOSPKD-UHFFFAOYSA-N 0 0 460.472 -0.130 20 0 JBADRN O=C(Cc1nc2ncccn2n1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000919144094 1068231608 /nfs/dbraw/zinc/23/16/08/1068231608.db2.gz NFGLMSKVDBEYKW-UHFFFAOYSA-N 0 0 462.463 -0.118 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cc3nc4ncccn4n3)CC2)cc1 ZINC000919144455 1068231360 /nfs/dbraw/zinc/23/13/60/1068231360.db2.gz QSLISFYGGJBPQA-UHFFFAOYSA-N 0 0 474.499 -0.248 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)C(=O)C1=O ZINC000919145676 1068231625 /nfs/dbraw/zinc/23/16/25/1068231625.db2.gz BVRUAIPMZNRVCO-INIZCTEOSA-N 0 0 457.549 -0.431 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)C(=O)C1=O ZINC000919145677 1068231478 /nfs/dbraw/zinc/23/14/78/1068231478.db2.gz BVRUAIPMZNRVCO-MRXNPFEDSA-N 0 0 457.549 -0.431 20 0 JBADRN CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)CN2CCN(CC)C(=O)C2=O)CC1 ZINC000919145695 1068231684 /nfs/dbraw/zinc/23/16/84/1068231684.db2.gz CMVKLVWTNTWNNM-UHFFFAOYSA-N 0 0 487.557 -0.434 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C(=O)C1=O ZINC000919145859 1068231460 /nfs/dbraw/zinc/23/14/60/1068231460.db2.gz GMBXRUMUQOJXOP-UHFFFAOYSA-N 0 0 454.505 -0.582 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C(=O)C1=O ZINC000919145935 1068231739 /nfs/dbraw/zinc/23/17/39/1068231739.db2.gz ITQDNCJXJVWPCD-UHFFFAOYSA-N 0 0 477.493 -0.858 20 0 JBADRN CCN1CCN(CC(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C(=O)C1=O ZINC000919146039 1068231500 /nfs/dbraw/zinc/23/15/00/1068231500.db2.gz LYYXBKFUVHPXMV-AWEZNQCLSA-N 0 0 468.532 -0.066 20 0 JBADRN CCN1CCN(CC(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C(=O)C1=O ZINC000919146040 1068231519 /nfs/dbraw/zinc/23/15/19/1068231519.db2.gz LYYXBKFUVHPXMV-CQSZACIVSA-N 0 0 468.532 -0.066 20 0 JBADRN CCN1CCN(CC(=O)O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C(=O)C1=O ZINC000919146228 1068231656 /nfs/dbraw/zinc/23/16/56/1068231656.db2.gz MLZIFPHEWRKQMT-CYBMUJFWSA-N 0 0 454.505 -0.502 20 0 JBADRN CCN1CCN(CC(=O)O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C(=O)C1=O ZINC000919146229 1068232477 /nfs/dbraw/zinc/23/24/77/1068232477.db2.gz MLZIFPHEWRKQMT-ZDUSSCGKSA-N 0 0 454.505 -0.502 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)C(=O)C1=O ZINC000919146234 1068232354 /nfs/dbraw/zinc/23/23/54/1068232354.db2.gz MXWUCZDZGCMANW-UHFFFAOYSA-N 0 0 469.292 -0.262 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)C(=O)C1=O ZINC000919146237 1068232437 /nfs/dbraw/zinc/23/24/37/1068232437.db2.gz NAYNUZBHLKEMLE-UHFFFAOYSA-N 0 0 490.557 -0.110 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)C(=O)C1=O ZINC000919146242 1068232180 /nfs/dbraw/zinc/23/21/80/1068232180.db2.gz NRYRKLBIGSNZQD-UHFFFAOYSA-N 0 0 451.501 -0.185 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C(=O)C1=O ZINC000919146280 1068232114 /nfs/dbraw/zinc/23/21/14/1068232114.db2.gz PYDWBEPYGCNODR-AWEZNQCLSA-N 0 0 471.557 -0.502 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C(=O)C1=O ZINC000919146281 1068232417 /nfs/dbraw/zinc/23/24/17/1068232417.db2.gz PYDWBEPYGCNODR-CQSZACIVSA-N 0 0 471.557 -0.502 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C(=O)C1=O ZINC000919146289 1068232257 /nfs/dbraw/zinc/23/22/57/1068232257.db2.gz QIMKSKINCSCTOL-NVNXTCNLSA-N 0 0 492.554 -0.635 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(=O)C1=O ZINC000919146290 1068232308 /nfs/dbraw/zinc/23/23/08/1068232308.db2.gz QIMKSKINCSCTOL-OVCLIPMQSA-N 0 0 492.554 -0.635 20 0 JBADRN O=C(COC(=O)Cc1nc2ncccn2n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000919146360 1068232233 /nfs/dbraw/zinc/23/22/33/1068232233.db2.gz PUDSKDVRJPKOPX-UHFFFAOYSA-N 0 0 460.472 -0.130 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)C(=O)C1=O ZINC000919146481 1068232202 /nfs/dbraw/zinc/23/22/02/1068232202.db2.gz UNZADMHOWMEGGT-UHFFFAOYSA-N 0 0 470.504 -0.882 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)C1=O ZINC000919146496 1068232284 /nfs/dbraw/zinc/23/22/84/1068232284.db2.gz VWEMWPZZWRMBDD-UHFFFAOYSA-N 0 0 451.501 -0.112 20 0 JBADRN CCN1CCN(CC(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C(=O)C1=O ZINC000919146537 1068232323 /nfs/dbraw/zinc/23/23/23/1068232323.db2.gz XRXFIXGSACNIIC-JTQLQIEISA-N 0 0 458.393 -0.219 20 0 JBADRN CCN1CCN(CC(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C(=O)C1=O ZINC000919146538 1068232398 /nfs/dbraw/zinc/23/23/98/1068232398.db2.gz XRXFIXGSACNIIC-SNVBAGLBSA-N 0 0 458.393 -0.219 20 0 JBADRN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CN2CCN(CC)C(=O)C2=O)c1 ZINC000919146585 1068232341 /nfs/dbraw/zinc/23/23/41/1068232341.db2.gz CJNNPJMBEGPRJM-UHFFFAOYSA-N 0 0 468.532 -0.111 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)C(=O)C1=O ZINC000919146592 1068232133 /nfs/dbraw/zinc/23/21/33/1068232133.db2.gz ZSUIRORXPJHLGR-NRFANRHFSA-N 0 0 459.459 -0.891 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)C(=O)C1=O ZINC000919146593 1068232376 /nfs/dbraw/zinc/23/23/76/1068232376.db2.gz ZSUIRORXPJHLGR-OAQYLSRUSA-N 0 0 459.459 -0.891 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C(=O)C1=O ZINC000919146707 1068232470 /nfs/dbraw/zinc/23/24/70/1068232470.db2.gz JSXXTHLAQOKDRH-INIZCTEOSA-N 0 0 450.536 -0.283 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C(=O)C1=O ZINC000919146708 1068232162 /nfs/dbraw/zinc/23/21/62/1068232162.db2.gz JSXXTHLAQOKDRH-MRXNPFEDSA-N 0 0 450.536 -0.283 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C(=O)C1=O ZINC000919146740 1068232148 /nfs/dbraw/zinc/23/21/48/1068232148.db2.gz LOHXDZUFVMTNOE-UHFFFAOYSA-N 0 0 474.923 -0.237 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)C(=O)C1=O ZINC000919146754 1068232776 /nfs/dbraw/zinc/23/27/76/1068232776.db2.gz MTPPPVBHBNAATL-UHFFFAOYSA-N 0 0 472.542 -0.040 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C(=O)C1=O ZINC000919146758 1068232984 /nfs/dbraw/zinc/23/29/84/1068232984.db2.gz MZLMOYZUYFCERV-UHFFFAOYSA-N 0 0 485.497 -0.923 20 0 JBADRN CCN1CCN(CC(=O)O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(=O)C1=O ZINC000919146795 1068232632 /nfs/dbraw/zinc/23/26/32/1068232632.db2.gz BPUNQFLVRLECOV-KRWDZBQOSA-N 0 0 494.570 -0.550 20 0 JBADRN CCN1CCN(CC(=O)O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(=O)C1=O ZINC000919146796 1068232723 /nfs/dbraw/zinc/23/27/23/1068232723.db2.gz BPUNQFLVRLECOV-QGZVFWFLSA-N 0 0 494.570 -0.550 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C(=O)C1=O ZINC000919146823 1068232814 /nfs/dbraw/zinc/23/28/14/1068232814.db2.gz DCJXZROQBMPJBI-GDNBJRDFSA-N 0 0 489.510 -0.532 20 0 JBADRN CCN1CCN(CC(=O)OCC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C(=O)C1=O ZINC000919146824 1068232790 /nfs/dbraw/zinc/23/27/90/1068232790.db2.gz DCJXZROQBMPJBI-XNTDXEJSSA-N 0 0 489.510 -0.532 20 0 JBADRN 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-0.990 20 0 JBADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCO3)cs1 ZINC001144894805 1068591372 /nfs/dbraw/zinc/59/13/72/1068591372.db2.gz IBXOUZHIQWJULI-UFEHZTMNSA-N 0 0 458.533 -0.990 20 0 JBADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCO3)cs1 ZINC001144894808 1068591396 /nfs/dbraw/zinc/59/13/96/1068591396.db2.gz IBXOUZHIQWJULI-UTTMJGGOSA-N 0 0 458.533 -0.990 20 0 JBADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCO3)cs1 ZINC001144894809 1068591101 /nfs/dbraw/zinc/59/11/01/1068591101.db2.gz IBXOUZHIQWJULI-WWCMAUILSA-N 0 0 458.533 -0.990 20 0 JBADRN CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(F)(F)F)N2C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144894856 1068591022 /nfs/dbraw/zinc/59/10/22/1068591022.db2.gz IRHPQMKHRWVLJA-AAVRWANBSA-N 0 0 484.468 -0.047 20 0 JBADRN CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(F)(F)F)N2C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144894857 1068591350 /nfs/dbraw/zinc/59/13/50/1068591350.db2.gz IRHPQMKHRWVLJA-REWJHTLYSA-N 0 0 484.468 -0.047 20 0 JBADRN CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(F)(F)F)N2C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144894858 1068591196 /nfs/dbraw/zinc/59/11/96/1068591196.db2.gz IRHPQMKHRWVLJA-RFQIPJPRSA-N 0 0 484.468 -0.047 20 0 JBADRN CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(F)(F)F)N2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144894859 1068591362 /nfs/dbraw/zinc/59/13/62/1068591362.db2.gz IRHPQMKHRWVLJA-YIYPIFLZSA-N 0 0 484.468 -0.047 20 0 JBADRN O=C(C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895260 1068581854 /nfs/dbraw/zinc/58/18/54/1068581854.db2.gz LIYRXVFBHPFPOM-AIBQHXCESA-N 0 0 469.494 -0.925 20 0 JBADRN O=C(C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895261 1068582091 /nfs/dbraw/zinc/58/20/91/1068582091.db2.gz LIYRXVFBHPFPOM-IYXACIGFSA-N 0 0 469.494 -0.925 20 0 JBADRN O=C(C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895262 1068582190 /nfs/dbraw/zinc/58/21/90/1068582190.db2.gz LIYRXVFBHPFPOM-JKNYOYKWSA-N 0 0 469.494 -0.925 20 0 JBADRN O=C(C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895263 1068581961 /nfs/dbraw/zinc/58/19/61/1068581961.db2.gz LIYRXVFBHPFPOM-UXRROIJYSA-N 0 0 469.494 -0.925 20 0 JBADRN O=C(Nc1ccc(C(F)(F)F)nc1I)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895329 1068582099 /nfs/dbraw/zinc/58/20/99/1068582099.db2.gz UBKUOMNNYJFXDQ-APQOSEDMSA-N 0 0 464.134 -0.712 20 0 JBADRN O=C(Nc1ccc(C(F)(F)F)nc1I)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895334 1068582158 /nfs/dbraw/zinc/58/21/58/1068582158.db2.gz UBKUOMNNYJFXDQ-LPBLVHEISA-N 0 0 464.134 -0.712 20 0 JBADRN O=C(Nc1ccc(C(F)(F)F)nc1I)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895335 1068582009 /nfs/dbraw/zinc/58/20/09/1068582009.db2.gz UBKUOMNNYJFXDQ-MHSYXAOVSA-N 0 0 464.134 -0.712 20 0 JBADRN O=C(Nc1ccc(C(F)(F)F)nc1I)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895336 1068581892 /nfs/dbraw/zinc/58/18/92/1068581892.db2.gz UBKUOMNNYJFXDQ-UIISKDMLSA-N 0 0 464.134 -0.712 20 0 JBADRN CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144895360 1068581863 /nfs/dbraw/zinc/58/18/63/1068581863.db2.gz LUWPTMMNHOFUAO-BHYGNILZSA-N 0 0 471.482 -0.639 20 0 JBADRN CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144895362 1068582177 /nfs/dbraw/zinc/58/21/77/1068582177.db2.gz LUWPTMMNHOFUAO-DJIMGWMZSA-N 0 0 471.482 -0.639 20 0 JBADRN CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144895363 1068581995 /nfs/dbraw/zinc/58/19/95/1068581995.db2.gz LUWPTMMNHOFUAO-HYVNUMGLSA-N 0 0 471.482 -0.639 20 0 JBADRN CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144895364 1068582766 /nfs/dbraw/zinc/58/27/66/1068582766.db2.gz LUWPTMMNHOFUAO-USXIJHARSA-N 0 0 471.482 -0.639 20 0 JBADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@H]21 ZINC001144895492 1068582783 /nfs/dbraw/zinc/58/27/83/1068582783.db2.gz MSYIWBXYNZWSMW-FLXSYLCISA-N 0 0 450.488 -0.624 20 0 JBADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]21 ZINC001144895493 1068582538 /nfs/dbraw/zinc/58/25/38/1068582538.db2.gz MSYIWBXYNZWSMW-IGKNDFSCSA-N 0 0 450.488 -0.624 20 0 JBADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H]21 ZINC001144895494 1068582636 /nfs/dbraw/zinc/58/26/36/1068582636.db2.gz MSYIWBXYNZWSMW-OBVSXPTNSA-N 0 0 450.488 -0.624 20 0 JBADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]21 ZINC001144895495 1068582734 /nfs/dbraw/zinc/58/27/34/1068582734.db2.gz MSYIWBXYNZWSMW-YYWYGQEZSA-N 0 0 450.488 -0.624 20 0 JBADRN Cc1cc2cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cnc2n1S(=O)(=O)c1ccccc1 ZINC001144895577 1068582649 /nfs/dbraw/zinc/58/26/49/1068582649.db2.gz VLTGJCBDSSSHNN-BRWVUGGUSA-N 0 0 463.468 -0.836 20 0 JBADRN Cc1cc2cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cnc2n1S(=O)(=O)c1ccccc1 ZINC001144895578 1068582702 /nfs/dbraw/zinc/58/27/02/1068582702.db2.gz VLTGJCBDSSSHNN-GVDBMIGSSA-N 0 0 463.468 -0.836 20 0 JBADRN Cc1cc2cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cnc2n1S(=O)(=O)c1ccccc1 ZINC001144895579 1068582415 /nfs/dbraw/zinc/58/24/15/1068582415.db2.gz VLTGJCBDSSSHNN-IXDOHACOSA-N 0 0 463.468 -0.836 20 0 JBADRN Cc1cc2cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cnc2n1S(=O)(=O)c1ccccc1 ZINC001144895580 1068582592 /nfs/dbraw/zinc/58/25/92/1068582592.db2.gz VLTGJCBDSSSHNN-YESZJQIVSA-N 0 0 463.468 -0.836 20 0 JBADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c2ncccc2N)CC1 ZINC001144895815 1068582573 /nfs/dbraw/zinc/58/25/73/1068582573.db2.gz XLGVOPDUADVITD-ARFHVFGLSA-N 0 0 468.507 -0.960 20 0 JBADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2ncccc2N)CC1 ZINC001144895816 1068582455 /nfs/dbraw/zinc/58/24/55/1068582455.db2.gz XLGVOPDUADVITD-BZUAXINKSA-N 0 0 468.507 -0.960 20 0 JBADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c2ncccc2N)CC1 ZINC001144895817 1068582716 /nfs/dbraw/zinc/58/27/16/1068582716.db2.gz XLGVOPDUADVITD-HRCADAONSA-N 0 0 468.507 -0.960 20 0 JBADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c2ncccc2N)CC1 ZINC001144895818 1068582611 /nfs/dbraw/zinc/58/26/11/1068582611.db2.gz XLGVOPDUADVITD-OWCLPIDISA-N 0 0 468.507 -0.960 20 0 JBADRN O=C(C(=O)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895916 1068582485 /nfs/dbraw/zinc/58/24/85/1068582485.db2.gz PCMAYMOGXONXKW-CEXWTWQISA-N 0 0 474.489 -0.860 20 0 JBADRN O=C(C(=O)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895917 1068582666 /nfs/dbraw/zinc/58/26/66/1068582666.db2.gz PCMAYMOGXONXKW-GBESFXJTSA-N 0 0 474.489 -0.860 20 0 JBADRN O=C(C(=O)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895918 1068582553 /nfs/dbraw/zinc/58/25/53/1068582553.db2.gz PCMAYMOGXONXKW-GUDVDZBRSA-N 0 0 474.489 -0.860 20 0 JBADRN O=C(C(=O)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895919 1068582799 /nfs/dbraw/zinc/58/27/99/1068582799.db2.gz PCMAYMOGXONXKW-IPMKNSEASA-N 0 0 474.489 -0.860 20 0 JBADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144895924 1068582510 /nfs/dbraw/zinc/58/25/10/1068582510.db2.gz PFNZQXLIFUNLSZ-HSALFYBXSA-N 0 0 472.542 -0.653 20 0 JBADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144895925 1068582681 /nfs/dbraw/zinc/58/26/81/1068582681.db2.gz PFNZQXLIFUNLSZ-SLFFLAALSA-N 0 0 472.542 -0.653 20 0 JBADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144895926 1068582754 /nfs/dbraw/zinc/58/27/54/1068582754.db2.gz PFNZQXLIFUNLSZ-VAMGGRTRSA-N 0 0 472.542 -0.653 20 0 JBADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144895927 1068583342 /nfs/dbraw/zinc/58/33/42/1068583342.db2.gz PFNZQXLIFUNLSZ-XUVXKRRUSA-N 0 0 472.542 -0.653 20 0 JBADRN COC(=O)c1sc2cc(Br)cnc2c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896172 1068583354 /nfs/dbraw/zinc/58/33/54/1068583354.db2.gz QBZTYVUATPVWJG-DIMCTHFVSA-N 0 0 463.262 -0.572 20 0 JBADRN COC(=O)c1sc2cc(Br)cnc2c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896173 1068583162 /nfs/dbraw/zinc/58/31/62/1068583162.db2.gz QBZTYVUATPVWJG-LIEZGIJOSA-N 0 0 463.262 -0.572 20 0 JBADRN COC(=O)c1sc2cc(Br)cnc2c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896174 1068583214 /nfs/dbraw/zinc/58/32/14/1068583214.db2.gz QBZTYVUATPVWJG-MQOMDTIOSA-N 0 0 463.262 -0.572 20 0 JBADRN COC(=O)c1sc2cc(Br)cnc2c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896175 1068583311 /nfs/dbraw/zinc/58/33/11/1068583311.db2.gz QBZTYVUATPVWJG-NRZXQICZSA-N 0 0 463.262 -0.572 20 0 JBADRN CCOC(=O)COc1ccccc1-c1csc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n1 ZINC001144896176 1068583279 /nfs/dbraw/zinc/58/32/79/1068583279.db2.gz QCGQSWMJLMEMAB-APHBMKBZSA-N 0 0 454.457 -0.665 20 0 JBADRN CCOC(=O)COc1ccccc1-c1csc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)n1 ZINC001144896177 1068583111 /nfs/dbraw/zinc/58/31/11/1068583111.db2.gz QCGQSWMJLMEMAB-DAXOMENPSA-N 0 0 454.457 -0.665 20 0 JBADRN CCOC(=O)COc1ccccc1-c1csc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n1 ZINC001144896178 1068583376 /nfs/dbraw/zinc/58/33/76/1068583376.db2.gz QCGQSWMJLMEMAB-UHOFOFEASA-N 0 0 454.457 -0.665 20 0 JBADRN CCOC(=O)COc1ccccc1-c1csc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)n1 ZINC001144896179 1068583130 /nfs/dbraw/zinc/58/31/30/1068583130.db2.gz QCGQSWMJLMEMAB-VBNZEHGJSA-N 0 0 454.457 -0.665 20 0 JBADRN O=C(NCC1CC1)C1=CC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)c2ccccc21 ZINC001144896238 1068583246 /nfs/dbraw/zinc/58/32/46/1068583246.db2.gz QKCHUHKZEQWWJZ-HSALFYBXSA-N 0 0 458.511 -0.886 20 0 JBADRN O=C(NCC1CC1)C1=CC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)c2ccccc21 ZINC001144896245 1068583229 /nfs/dbraw/zinc/58/32/29/1068583229.db2.gz QKCHUHKZEQWWJZ-SLFFLAALSA-N 0 0 458.511 -0.886 20 0 JBADRN O=C(NCC1CC1)C1=CC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)c2ccccc21 ZINC001144896252 1068583094 /nfs/dbraw/zinc/58/30/94/1068583094.db2.gz QKCHUHKZEQWWJZ-VAMGGRTRSA-N 0 0 458.511 -0.886 20 0 JBADRN O=C(NCC1CC1)C1=CC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)c2ccccc21 ZINC001144896256 1068583178 /nfs/dbraw/zinc/58/31/78/1068583178.db2.gz QKCHUHKZEQWWJZ-XUVXKRRUSA-N 0 0 458.511 -0.886 20 0 JBADRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)Oc2ccccc21 ZINC001144896430 1068583077 /nfs/dbraw/zinc/58/30/77/1068583077.db2.gz QYLIYPUSLINBOO-LVOPCWDJSA-N 0 0 492.569 -0.184 20 0 JBADRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)Oc2ccccc21 ZINC001144896431 1068583293 /nfs/dbraw/zinc/58/32/93/1068583293.db2.gz QYLIYPUSLINBOO-MPSQCAORSA-N 0 0 492.569 -0.184 20 0 JBADRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)Oc2ccccc21 ZINC001144896432 1068583364 /nfs/dbraw/zinc/58/33/64/1068583364.db2.gz QYLIYPUSLINBOO-OJAWGZOXSA-N 0 0 492.569 -0.184 20 0 JBADRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)Oc2ccccc21 ZINC001144896433 1068583146 /nfs/dbraw/zinc/58/31/46/1068583146.db2.gz QYLIYPUSLINBOO-XNKSBNDBSA-N 0 0 492.569 -0.184 20 0 JBADRN CC(C)(C)OC(=O)N(Cc1ncn2c1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCC2)C1CCC1 ZINC001144896434 1068583201 /nfs/dbraw/zinc/58/32/01/1068583201.db2.gz RCVQHKPACXEQQK-CEXWTWQISA-N 0 0 496.561 -0.451 20 0 JBADRN CC(C)(C)OC(=O)N(Cc1ncn2c1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCC2)C1CCC1 ZINC001144896435 1068583324 /nfs/dbraw/zinc/58/33/24/1068583324.db2.gz RCVQHKPACXEQQK-GBESFXJTSA-N 0 0 496.561 -0.451 20 0 JBADRN CC(C)(C)OC(=O)N(Cc1ncn2c1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCC2)C1CCC1 ZINC001144896436 1068583262 /nfs/dbraw/zinc/58/32/62/1068583262.db2.gz RCVQHKPACXEQQK-GUDVDZBRSA-N 0 0 496.561 -0.451 20 0 JBADRN CC(C)(C)OC(=O)N(Cc1ncn2c1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCC2)C1CCC1 ZINC001144896437 1068583672 /nfs/dbraw/zinc/58/36/72/1068583672.db2.gz RCVQHKPACXEQQK-IPMKNSEASA-N 0 0 496.561 -0.451 20 0 JBADRN O=C(C(=O)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896466 1068583648 /nfs/dbraw/zinc/58/36/48/1068583648.db2.gz RTMDNVGBVGEPMK-BHIYHBOVSA-N 0 0 455.471 -0.859 20 0 JBADRN O=C(C(=O)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896467 1068583920 /nfs/dbraw/zinc/58/39/20/1068583920.db2.gz RTMDNVGBVGEPMK-NZSAHSFTSA-N 0 0 455.471 -0.859 20 0 JBADRN O=C(C(=O)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896468 1068583793 /nfs/dbraw/zinc/58/37/93/1068583793.db2.gz RTMDNVGBVGEPMK-QXAKKESOSA-N 0 0 455.471 -0.859 20 0 JBADRN O=C(C(=O)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896469 1068583937 /nfs/dbraw/zinc/58/39/37/1068583937.db2.gz RTMDNVGBVGEPMK-YTQUADARSA-N 0 0 455.471 -0.859 20 0 JBADRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)c2ccccc21 ZINC001144896501 1068583721 /nfs/dbraw/zinc/58/37/21/1068583721.db2.gz RZVLWSIEDBVMRT-IZZBFERCSA-N 0 0 478.542 -0.869 20 0 JBADRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)c2ccccc21 ZINC001144896510 1068583851 /nfs/dbraw/zinc/58/38/51/1068583851.db2.gz RZVLWSIEDBVMRT-RMVXJAJNSA-N 0 0 478.542 -0.869 20 0 JBADRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)c2ccccc21 ZINC001144896515 1068583705 /nfs/dbraw/zinc/58/37/05/1068583705.db2.gz RZVLWSIEDBVMRT-UYWIDEMCSA-N 0 0 478.542 -0.869 20 0 JBADRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)c2ccccc21 ZINC001144896516 1068583633 /nfs/dbraw/zinc/58/36/33/1068583633.db2.gz RZVLWSIEDBVMRT-VURPSTOHSA-N 0 0 478.542 -0.869 20 0 JBADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144896822 1068583695 /nfs/dbraw/zinc/58/36/95/1068583695.db2.gz UDUICYLGURCTCF-AXHMDWHKSA-N 0 0 469.878 -0.940 20 0 JBADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144896823 1068583883 /nfs/dbraw/zinc/58/38/83/1068583883.db2.gz UDUICYLGURCTCF-QCBUCWTNSA-N 0 0 469.878 -0.940 20 0 JBADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144896824 1068583903 /nfs/dbraw/zinc/58/39/03/1068583903.db2.gz UDUICYLGURCTCF-UIVXKWKOSA-N 0 0 469.878 -0.940 20 0 JBADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144896825 1068583660 /nfs/dbraw/zinc/58/36/60/1068583660.db2.gz UDUICYLGURCTCF-ZFCANOHDSA-N 0 0 469.878 -0.940 20 0 JBADRN CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2)C1 ZINC001144897084 1068583773 /nfs/dbraw/zinc/58/37/73/1068583773.db2.gz VSBLXVGIEGZPTI-BERAWNTRSA-N 0 0 478.542 -0.116 20 0 JBADRN CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2)C1 ZINC001144897085 1068583979 /nfs/dbraw/zinc/58/39/79/1068583979.db2.gz VSBLXVGIEGZPTI-HUIKVJECSA-N 0 0 478.542 -0.116 20 0 JBADRN CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2)C1 ZINC001144897086 1068583867 /nfs/dbraw/zinc/58/38/67/1068583867.db2.gz VSBLXVGIEGZPTI-KJYIBTOLSA-N 0 0 478.542 -0.116 20 0 JBADRN CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2)C1 ZINC001144897087 1068583683 /nfs/dbraw/zinc/58/36/83/1068583683.db2.gz VSBLXVGIEGZPTI-QRYDCHBUSA-N 0 0 478.542 -0.116 20 0 JBADRN COc1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(Br)nc1Br ZINC001144897188 1068583950 /nfs/dbraw/zinc/58/39/50/1068583950.db2.gz XITJEGLGGKQQLE-APQOSEDMSA-N 0 0 458.059 -0.802 20 0 JBADRN COc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c(Br)nc1Br ZINC001144897189 1068583738 /nfs/dbraw/zinc/58/37/38/1068583738.db2.gz XITJEGLGGKQQLE-LPBLVHEISA-N 0 0 458.059 -0.802 20 0 JBADRN COc1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(Br)nc1Br ZINC001144897190 1068583812 /nfs/dbraw/zinc/58/38/12/1068583812.db2.gz XITJEGLGGKQQLE-MHSYXAOVSA-N 0 0 458.059 -0.802 20 0 JBADRN COc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c(Br)nc1Br ZINC001144897191 1068584618 /nfs/dbraw/zinc/58/46/18/1068584618.db2.gz XITJEGLGGKQQLE-UIISKDMLSA-N 0 0 458.059 -0.802 20 0 JBADRN O=C(C(=O)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144897244 1068584574 /nfs/dbraw/zinc/58/45/74/1068584574.db2.gz XXUJBDASMPSGOF-DFQSSKMNSA-N 0 0 472.494 -0.560 20 0 JBADRN O=C(C(=O)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144897245 1068584325 /nfs/dbraw/zinc/58/43/25/1068584325.db2.gz XXUJBDASMPSGOF-MISYRCLQSA-N 0 0 472.494 -0.560 20 0 JBADRN O=C(C(=O)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144897246 1068584275 /nfs/dbraw/zinc/58/42/75/1068584275.db2.gz XXUJBDASMPSGOF-YSIASYRMSA-N 0 0 472.494 -0.560 20 0 JBADRN O=C(C(=O)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144897247 1068584475 /nfs/dbraw/zinc/58/44/75/1068584475.db2.gz XXUJBDASMPSGOF-YZGWKJHDSA-N 0 0 472.494 -0.560 20 0 JBADRN Cn1cnc2c1cc(C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1)nc2-c1cccnc1 ZINC001144897260 1068584310 /nfs/dbraw/zinc/58/43/10/1068584310.db2.gz YCSDXYLSXJQYBM-DUXKGJEZSA-N 0 0 469.498 -0.620 20 0 JBADRN Cn1cnc2c1cc(C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1)nc2-c1cccnc1 ZINC001144897261 1068584430 /nfs/dbraw/zinc/58/44/30/1068584430.db2.gz YCSDXYLSXJQYBM-DZFGPLHGSA-N 0 0 469.498 -0.620 20 0 JBADRN Cn1cnc2c1cc(C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1)nc2-c1cccnc1 ZINC001144897262 1068584507 /nfs/dbraw/zinc/58/45/07/1068584507.db2.gz YCSDXYLSXJQYBM-IOMROCGXSA-N 0 0 469.498 -0.620 20 0 JBADRN Cn1cnc2c1cc(C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1)nc2-c1cccnc1 ZINC001144897263 1068584364 /nfs/dbraw/zinc/58/43/64/1068584364.db2.gz YCSDXYLSXJQYBM-JRGCBEDISA-N 0 0 469.498 -0.620 20 0 JBADRN O=C(C(=O)N1CC[C@H](OCc2ccccn2)[C@H](Cc2ccccc2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144897392 1068584489 /nfs/dbraw/zinc/58/44/89/1068584489.db2.gz ZUIZBCXIFKVHQW-MBMVPVEPSA-N 0 0 458.511 -0.298 20 0 JBADRN O=C(C(=O)N1CC[C@H](OCc2ccccn2)[C@H](Cc2ccccc2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144897393 1068584390 /nfs/dbraw/zinc/58/43/90/1068584390.db2.gz ZUIZBCXIFKVHQW-MIUGBVLSSA-N 0 0 458.511 -0.298 20 0 JBADRN O=C(C(=O)N1CC[C@H](OCc2ccccn2)[C@H](Cc2ccccc2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144897394 1068584345 /nfs/dbraw/zinc/58/43/45/1068584345.db2.gz ZUIZBCXIFKVHQW-WHCFWRGISA-N 0 0 458.511 -0.298 20 0 JBADRN O=C(C(=O)N1CC[C@H](OCc2ccccn2)[C@H](Cc2ccccc2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144897395 1068584589 /nfs/dbraw/zinc/58/45/89/1068584589.db2.gz ZUIZBCXIFKVHQW-ZQOQTTQJSA-N 0 0 458.511 -0.298 20 0 JBADRN COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1)C2 ZINC001144898412 1068584520 /nfs/dbraw/zinc/58/45/20/1068584520.db2.gz ALTCDMALYPLKRP-BVIFKLCGSA-N 0 0 465.499 -0.668 20 0 JBADRN COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1)C2 ZINC001144898415 1068584540 /nfs/dbraw/zinc/58/45/40/1068584540.db2.gz ALTCDMALYPLKRP-CPUXHMLJSA-N 0 0 465.499 -0.668 20 0 JBADRN COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1)C2 ZINC001144898416 1068584449 /nfs/dbraw/zinc/58/44/49/1068584449.db2.gz ALTCDMALYPLKRP-IEARMKQFSA-N 0 0 465.499 -0.668 20 0 JBADRN COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1)C2 ZINC001144898417 1068584295 /nfs/dbraw/zinc/58/42/95/1068584295.db2.gz ALTCDMALYPLKRP-MGTBRSBRSA-N 0 0 465.499 -0.668 20 0 JBADRN O=C(C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144898466 1068584411 /nfs/dbraw/zinc/58/44/11/1068584411.db2.gz 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458.511 -0.782 20 0 JBADRN O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144906443 1068588455 /nfs/dbraw/zinc/58/84/55/1068588455.db2.gz SYNNQHRCWKORLX-PWRODBHTSA-N 0 0 458.511 -0.782 20 0 JBADRN O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144906446 1068588753 /nfs/dbraw/zinc/58/87/53/1068588753.db2.gz SYNNQHRCWKORLX-QHAWAJNXSA-N 0 0 458.511 -0.782 20 0 JBADRN CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]1c1cccnc1 ZINC001144906499 1068588688 /nfs/dbraw/zinc/58/86/88/1068588688.db2.gz UAEYUKZJJRFYLF-DRRXZNNHSA-N 0 0 453.492 -0.860 20 0 JBADRN CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]1c1cccnc1 ZINC001144906505 1068588470 /nfs/dbraw/zinc/58/84/70/1068588470.db2.gz UAEYUKZJJRFYLF-NQNKBUKLSA-N 0 0 453.492 -0.860 20 0 JBADRN CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]1c1cccnc1 ZINC001144906508 1068588568 /nfs/dbraw/zinc/58/85/68/1068588568.db2.gz 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QWOPAZYDAZPJPW-ONIAQPFYSA-N 0 0 454.549 -0.271 20 0 JBADRN Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)[C@@H]3CCCO[C@@H]32)cn1 ZINC001146255546 1068603021 /nfs/dbraw/zinc/60/30/21/1068603021.db2.gz RFOBYEIJSAUXBK-CNLQAYEWSA-N 0 0 465.532 -0.958 20 0 JBADRN CC1(C)[C@H](C(=O)N2CC[C@H]3OC[C@@H](C(=O)N4CCCCO4)C[C@H]3C2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146255665 1068602874 /nfs/dbraw/zinc/60/28/74/1068602874.db2.gz STRXADFQTNNMCZ-DTJSUFBGSA-N 0 0 469.560 -0.072 20 0 JBADRN CCOC(=O)c1cnn2c1nccc2[C@H]1CN(C(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)CCO1 ZINC001146255670 1068602992 /nfs/dbraw/zinc/60/29/92/1068602992.db2.gz SYFYBUXDUXOMER-OIISXLGYSA-N 0 0 491.526 -0.060 20 0 JBADRN CCOC(=O)c1cnn2c1nccc2[C@@H]1CN(C(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)CCO1 ZINC001146255671 1068602941 /nfs/dbraw/zinc/60/29/41/1068602941.db2.gz SYFYBUXDUXOMER-UAGQMJEPSA-N 0 0 491.526 -0.060 20 0 JBADRN CC1(C)[C@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146255974 1068602914 /nfs/dbraw/zinc/60/29/14/1068602914.db2.gz WRXCWSCNFGTSFY-JQHSSLGASA-N 0 0 463.512 -0.369 20 0 JBADRN CC1(C)[C@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146255975 1068602996 /nfs/dbraw/zinc/60/29/96/1068602996.db2.gz WRXCWSCNFGTSFY-NXHRZFHOSA-N 0 0 463.512 -0.369 20 0 JBADRN COc1nccn(C(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001146257263 1068606011 /nfs/dbraw/zinc/60/60/11/1068606011.db2.gz LBGJSHQSYNCWNI-CABCVRRESA-N 0 0 495.539 -0.462 20 0 JBADRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)cc1 ZINC001146257545 1068605778 /nfs/dbraw/zinc/60/57/78/1068605778.db2.gz OATRPYRXKUICCO-UXHICEINSA-N 0 0 477.587 -0.031 20 0 JBADRN COc1ccc(N(C(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001146257896 1068605758 /nfs/dbraw/zinc/60/57/58/1068605758.db2.gz VDBBRCWXSZDNEI-SJORKVTESA-N 0 0 495.539 -0.077 20 0 JBADRN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC001146261375 1068605950 /nfs/dbraw/zinc/60/59/50/1068605950.db2.gz HZDOZFHDKOASHZ-UHFFFAOYSA-N 0 0 453.565 -0.304 20 0 JBADRN COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)CN1C(=O)OC(C)(C)C ZINC001146262269 1068605870 /nfs/dbraw/zinc/60/58/70/1068605870.db2.gz FIBAUPNNBGAJNM-WVWOOGAGSA-N 0 0 459.521 -0.212 20 0 JBADRN COc1ccc(C[C@@H](C)NC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)cc1S(N)(=O)=O ZINC001146262625 1068605172 /nfs/dbraw/zinc/60/51/72/1068605172.db2.gz JNYYBIOHLWTDGC-GTTSAUCSSA-N 0 0 459.546 -0.476 20 0 JBADRN CC1(C)[C@H](C(=O)N[C@H]2CCc3c(ccc(=O)n3CCn3cccn3)C2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146262853 1068605112 /nfs/dbraw/zinc/60/51/12/1068605112.db2.gz NVSKDZJTQSOGQO-BEVDRBHNSA-N 0 0 473.555 -0.148 20 0 JBADRN CC1(C)[C@H](C(=O)N[C@@H]2CCc3c(ccc(=O)n3CCn3cccn3)C2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146262854 1068605089 /nfs/dbraw/zinc/60/50/89/1068605089.db2.gz NVSKDZJTQSOGQO-YSGRDPCXSA-N 0 0 473.555 -0.148 20 0 JBADRN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)C(N)=O ZINC001146264808 1068605136 /nfs/dbraw/zinc/60/51/36/1068605136.db2.gz HHLTWMPUVGRMTI-BGTYHANMSA-N 0 0 494.570 -0.820 20 0 JBADRN CC1(C)[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146265723 1068604996 /nfs/dbraw/zinc/60/49/96/1068604996.db2.gz BBLWZDHOKPSNAY-SJORKVTESA-N 0 0 471.557 -0.542 20 0 JBADRN CC1(C)[C@H](C(=O)NC2(Cc3cccnc3)CCS(=O)(=O)CC2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146265775 1068604989 /nfs/dbraw/zinc/60/49/89/1068604989.db2.gz BYBSUKKJJZYETK-CVEARBPZSA-N 0 0 455.558 -0.178 20 0 JBADRN CC(C)(C)OC(=O)NCCOCCOCCNC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146267039 1068605127 /nfs/dbraw/zinc/60/51/27/1068605127.db2.gz MZDPNRQAVWWSOP-CABCVRRESA-N 0 0 463.553 -0.206 20 0 JBADRN CCOC(=O)C1(NC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC001146267276 1068605117 /nfs/dbraw/zinc/60/51/17/1068605117.db2.gz QSHPFARHJUMMGB-OLZOCXBDSA-N 0 0 459.521 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0 0 454.528 -0.111 20 0 JBADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O)C(C)(C)O ZINC001146283041 1068605060 /nfs/dbraw/zinc/60/50/60/1068605060.db2.gz SBEBUJFEXPKKOH-SOUVJXGZSA-N 0 0 466.539 -0.423 20 0 JBADRN Cc1cn([C@H]2C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001146283249 1068605182 /nfs/dbraw/zinc/60/51/82/1068605182.db2.gz WJMBOLJYFHPDPZ-REWJHTLYSA-N 0 0 456.496 -0.314 20 0 JBADRN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 ZINC001146285015 1068606000 /nfs/dbraw/zinc/60/60/00/1068606000.db2.gz RPHQEOSTPFQILD-CYBMUJFWSA-N 0 0 451.592 -0.095 20 0 JBADRN CS(=O)(=O)N[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 ZINC001146285016 1068605937 /nfs/dbraw/zinc/60/59/37/1068605937.db2.gz RPHQEOSTPFQILD-ZDUSSCGKSA-N 0 0 451.592 -0.095 20 0 JBADRN CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC001146289942 1068605966 /nfs/dbraw/zinc/60/59/66/1068605966.db2.gz KMXAACVJXFOHHK-UHFFFAOYSA-N 0 0 455.356 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QXNKWIKGAGLNMG-LBPRGKRZSA-N 0 0 459.326 -0.178 20 0 JBADRN CN(C)C(=O)CN1CCCN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC001154931782 1069283960 /nfs/dbraw/zinc/28/39/60/1069283960.db2.gz SRYHTXQVEVEHNF-UHFFFAOYSA-N 0 0 459.590 -0.259 20 0 JBADRN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cc3c(c(Br)c2)OCO3)c(=O)n1 ZINC001155027595 1069283997 /nfs/dbraw/zinc/28/39/97/1069283997.db2.gz LGQPTALNJVRZDT-XNIJJKJLSA-N 0 0 469.248 -0.391 20 0 JBADRN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)c(=O)n1 ZINC001155066472 1069283819 /nfs/dbraw/zinc/28/38/19/1069283819.db2.gz CBLGFSAXJVWAIT-RCAWKPMRSA-N 0 0 491.464 -0.789 20 0 JBADRN C[C@@H]1O[C@@H](OCCNC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)[C@@H](O)[C@H](O)[C@@H]1O ZINC001155071271 1069283885 /nfs/dbraw/zinc/28/38/85/1069283885.db2.gz DAOGFMLTFVGMHK-DEYJVGQMSA-N 0 0 456.455 -0.645 20 0 JBADRN CN1CC[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1=O ZINC001155078017 1069284053 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TUOUPZNUDCOXHB-VGYBTVITSA-N 0 0 470.525 -0.371 20 0 JBADRN C[C@@H]1O[C@@H](OCCNC(=O)c2cc(O)cc(I)c2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001196427393 1068938302 /nfs/dbraw/zinc/93/83/02/1068938302.db2.gz JFEXFVYHRXNXQC-BBOGJPIGSA-N 0 0 453.229 -0.429 20 0 JBADRN CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1 ZINC001196429004 1068938123 /nfs/dbraw/zinc/93/81/23/1068938123.db2.gz BGTJQUZWAHBXNE-IBGZPJMESA-N 0 0 451.593 -0.290 20 0 JBADRN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1 ZINC001196429006 1068938392 /nfs/dbraw/zinc/93/83/92/1068938392.db2.gz BGTJQUZWAHBXNE-LJQANCHMSA-N 0 0 451.593 -0.290 20 0 JBADRN N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1cccc(=O)n1OCc1ccccc1 ZINC001196449324 1068938346 /nfs/dbraw/zinc/93/83/46/1068938346.db2.gz XDMABIMBKUOSQC-UHFFFAOYSA-N 0 0 451.443 -0.260 20 0 JBADRN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C[C@@H](CO)[C@H](CO)C1 ZINC001196450853 1068938210 /nfs/dbraw/zinc/93/82/10/1068938210.db2.gz PLBHAHAYRDOVFY-IRXDYDNUSA-N 0 0 471.576 -0.034 20 0 JBADRN O=C(c1nc(Br)c[nH]c1=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001196492458 1068938829 /nfs/dbraw/zinc/93/88/29/1068938829.db2.gz BDKRNXNVIMLWJN-IJLUTSLNSA-N 0 0 489.348 -0.734 20 0 JBADRN O=C(c1nc(Br)c[nH]c1=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001196492460 1068938834 /nfs/dbraw/zinc/93/88/34/1068938834.db2.gz BDKRNXNVIMLWJN-QJPTWQEYSA-N 0 0 489.348 -0.734 20 0 JBADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)c1nc(Br)c[nH]c1=O)CC2 ZINC001196493244 1068938772 /nfs/dbraw/zinc/93/87/72/1068938772.db2.gz JSXBTSHUBPOELP-UHFFFAOYSA-N 0 0 464.324 -0.148 20 0 JBADRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1nc(Br)c[nH]c1=O)C(=O)NCC(N)=O ZINC001196495469 1068938856 /nfs/dbraw/zinc/93/88/56/1068938856.db2.gz QHJRKTMUXSJBLY-QWRGUYRKSA-N 0 0 485.339 -0.731 20 0 JBADRN NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2nc(Br)c[nH]c2=O)cc1Cl ZINC001196497042 1068938908 /nfs/dbraw/zinc/93/89/08/1068938908.db2.gz ABQAFAPVWXSKQR-UHFFFAOYSA-N 0 0 486.713 -0.267 20 0 JBADRN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1nc(Br)c[nH]c1=O ZINC001196506895 1068938408 /nfs/dbraw/zinc/93/84/08/1068938408.db2.gz KFGLVVKCJYXYTJ-UWVGGRQHSA-N 0 0 452.269 -0.927 20 0 JBADRN CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001196507148 1068938153 /nfs/dbraw/zinc/93/81/53/1068938153.db2.gz NQYPKFLUIDJIPH-MWQQHZPXSA-N 0 0 498.514 -0.106 20 0 JBADRN CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc1 ZINC001196515262 1068938275 /nfs/dbraw/zinc/93/82/75/1068938275.db2.gz HGEDCLICTXFWDY-HNNXBMFYSA-N 0 0 483.547 -0.096 20 0 JBADRN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)c2c[nH]c(=O)c(C)n2)cc1 ZINC001196528828 1068938202 /nfs/dbraw/zinc/93/82/02/1068938202.db2.gz JEBGVNUGHDGHMC-QTQZEZTPSA-N 0 0 497.464 -0.437 20 0 JBADRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1c[nH]c(=O)c(C)n1)C(N)=O ZINC001196529441 1068938839 /nfs/dbraw/zinc/93/88/39/1068938839.db2.gz PATTZZIHCQOIPH-STQMWFEESA-N 0 0 454.553 -0.938 20 0 JBADRN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC001196534445 1068938981 /nfs/dbraw/zinc/93/89/81/1068938981.db2.gz CKDRIZQXVLHQGU-ROUUACIJSA-N 0 0 454.487 -0.301 20 0 JBADRN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)N=c1cc[nH]n1Cc1cccc(C)c1 ZINC001196536186 1068938927 /nfs/dbraw/zinc/93/89/27/1068938927.db2.gz POUUKAUHKSZUSD-IRXDYDNUSA-N 0 0 454.487 -0.232 20 0 JBADRN COc1ncncc1C(=O)N[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001196547016 1068938943 /nfs/dbraw/zinc/93/89/43/1068938943.db2.gz JINJCOALABHLID-QTQZEZTPSA-N 0 0 497.464 -0.030 20 0 JBADRN COc1ncncc1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001196548245 1068939017 /nfs/dbraw/zinc/93/90/17/1068939017.db2.gz SZCJCCVCTYRQNC-KBPBESRZSA-N 0 0 454.553 -0.531 20 0 JBADRN CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cccc(Br)c1C ZINC001196566705 1068939001 /nfs/dbraw/zinc/93/90/01/1068939001.db2.gz PNLLOZQEMWUAMS-UHFFFAOYSA-N 0 0 450.311 -0.169 20 0 JBADRN Cc1c(Br)cccc1S(=O)(=O)N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001196567172 1068938892 /nfs/dbraw/zinc/93/88/92/1068938892.db2.gz WQUNDAZBGLQVBB-JUDXGUMMSA-N 0 0 476.305 -0.382 20 0 JBADRN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2ccccc2OCC2CCOCC2)c(=O)n1 ZINC001196571084 1068939030 /nfs/dbraw/zinc/93/90/30/1068939030.db2.gz OYYFNCGZSSALOL-XLBJILASSA-N 0 0 460.487 -0.077 20 0 JBADRN Cc1c(Br)cccc1S(=O)(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001196573825 1068939503 /nfs/dbraw/zinc/93/95/03/1068939503.db2.gz JBTFVYBGMOJFSM-LBPRGKRZSA-N 0 0 461.338 -0.372 20 0 JBADRN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2ccn(Cc3ccccc3)c(=O)c2)c(=O)n1 ZINC001196580159 1068939368 /nfs/dbraw/zinc/93/93/68/1068939368.db2.gz MUIFATKWWVYOES-OBZYLPMUSA-N 0 0 453.455 -0.673 20 0 JBADRN CNS(=O)(=O)C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001196622670 1068939405 /nfs/dbraw/zinc/93/94/05/1068939405.db2.gz JVJZWMIBEZSDDQ-KRWDZBQOSA-N 0 0 458.606 -0.219 20 0 JBADRN CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001196622673 1068939473 /nfs/dbraw/zinc/93/94/73/1068939473.db2.gz JVJZWMIBEZSDDQ-QGZVFWFLSA-N 0 0 458.606 -0.219 20 0 JBADRN CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1OC ZINC001196626829 1068939494 /nfs/dbraw/zinc/93/94/94/1068939494.db2.gz DCKYDOFNPXZGLA-UHFFFAOYSA-N 0 0 466.310 -0.469 20 0 JBADRN COc1cc(Br)ccc1S(=O)(=O)N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001196627907 1068939530 /nfs/dbraw/zinc/93/95/30/1068939530.db2.gz PHULQDBSHKOJJX-JUDXGUMMSA-N 0 0 492.304 -0.682 20 0 JBADRN COc1cc(Br)ccc1S(=O)(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001196636029 1068939438 /nfs/dbraw/zinc/93/94/38/1068939438.db2.gz IUTFCXKTCDNKBO-NSHDSACASA-N 0 0 477.337 -0.672 20 0 JBADRN COc1cc(Br)ccc1S(=O)(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001196636231 1068939536 /nfs/dbraw/zinc/93/95/36/1068939536.db2.gz LNIIWEYZFRLSNY-CELJHQOASA-N 0 0 456.311 -0.420 20 0 JBADRN Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCOC[C@H]2CNS(C)(=O)=O)CC1 ZINC001196638728 1068939547 /nfs/dbraw/zinc/93/95/47/1068939547.db2.gz IYUUVXAMUSQGAA-GOSISDBHSA-N 0 0 452.577 -0.034 20 0 JBADRN Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCOC[C@@H]2CNS(C)(=O)=O)CC1 ZINC001196638729 1068939447 /nfs/dbraw/zinc/93/94/47/1068939447.db2.gz IYUUVXAMUSQGAA-SFHVURJKSA-N 0 0 452.577 -0.034 20 0 JBADRN Cc1cc(N2CCN(C(=O)CN3CCOC[C@@H]3CNS(C)(=O)=O)CC2)nc(C(C)C)n1 ZINC001196640540 1068939553 /nfs/dbraw/zinc/93/95/53/1068939553.db2.gz YSDUCDTUDFFMOL-KRWDZBQOSA-N 0 0 454.597 -0.193 20 0 JBADRN Cc1cc(N2CCN(C(=O)CN3CCOC[C@H]3CNS(C)(=O)=O)CC2)nc(C(C)C)n1 ZINC001196640547 1068940037 /nfs/dbraw/zinc/94/00/37/1068940037.db2.gz YSDUCDTUDFFMOL-QGZVFWFLSA-N 0 0 454.597 -0.193 20 0 JBADRN CCOc1ccc(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC001196658982 1068940076 /nfs/dbraw/zinc/94/00/76/1068940076.db2.gz OGYZIFPMMZGXHU-OKILXGFUSA-N 0 0 452.489 -0.158 20 0 JBADRN CCOc1ccc(NC(=O)NCCN2CCNC(=O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001196659581 1068940129 /nfs/dbraw/zinc/94/01/29/1068940129.db2.gz RVDBAHREVLHROA-UHFFFAOYSA-N 0 0 455.537 -0.341 20 0 JBADRN CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)nc1 ZINC001196703366 1068940064 /nfs/dbraw/zinc/94/00/64/1068940064.db2.gz JIBDPGZMJQIIPC-DOTOQJQBSA-N 0 0 493.567 -0.352 20 0 JBADRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc(S(C)(=O)=O)cn2)CC3)C1=O ZINC001196708279 1068939950 /nfs/dbraw/zinc/93/99/50/1068939950.db2.gz IGSOUXWNEZUPSA-FQEVSTJZSA-N 0 0 484.600 -0.169 20 0 JBADRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc(S(C)(=O)=O)cn2)CC3)C1=O ZINC001196708281 1068940163 /nfs/dbraw/zinc/94/01/63/1068940163.db2.gz IGSOUXWNEZUPSA-HXUWFJFHSA-N 0 0 484.600 -0.169 20 0 JBADRN CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)nc1 ZINC001196708524 1068939890 /nfs/dbraw/zinc/93/98/90/1068939890.db2.gz PEYYQDPOQSDGGT-BFYDXBDKSA-N 0 0 471.557 -0.781 20 0 JBADRN CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)nc1 ZINC001196708525 1068940121 /nfs/dbraw/zinc/94/01/21/1068940121.db2.gz PEYYQDPOQSDGGT-ZMSDIMECSA-N 0 0 471.557 -0.781 20 0 JBADRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)cn1)C(=O)NCC(N)=O ZINC001196708762 1068940011 /nfs/dbraw/zinc/94/00/11/1068940011.db2.gz UYHMVMNWSVFQPE-HOTGVXAUSA-N 0 0 467.548 -0.778 20 0 JBADRN CS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)nc1 ZINC001196715343 1068939927 /nfs/dbraw/zinc/93/99/27/1068939927.db2.gz ORZBUVUUSSHCCS-UHFFFAOYSA-N 0 0 468.922 -0.314 20 0 JBADRN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)nc1 ZINC001196715405 1068940181 /nfs/dbraw/zinc/94/01/81/1068940181.db2.gz PYAJPRKDLRVGRZ-BCDMZGRMSA-N 0 0 470.525 -0.371 20 0 JBADRN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)nc1 ZINC001196715416 1068940533 /nfs/dbraw/zinc/94/05/33/1068940533.db2.gz PYAJPRKDLRVGRZ-MUDKKEKZSA-N 0 0 470.525 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JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1C[C@@]1(O)CCOC1 ZINC001288842273 1069886396 /nfs/dbraw/zinc/88/63/96/1069886396.db2.gz YBTCQKJEVPDULG-NBQZKYEYSA-N 0 0 470.596 -0.218 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1C[C@@]1(O)CCOC1 ZINC001288842274 1069886366 /nfs/dbraw/zinc/88/63/66/1069886366.db2.gz YBTCQKJEVPDULG-UVFQYZLESA-N 0 0 470.596 -0.218 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1C[C@]1(O)CCOC1 ZINC001288842275 1069886660 /nfs/dbraw/zinc/88/66/60/1069886660.db2.gz YBTCQKJEVPDULG-YYFZDKIDSA-N 0 0 470.596 -0.218 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN1CCOCC1(C)C ZINC001288842620 1069886264 /nfs/dbraw/zinc/88/62/64/1069886264.db2.gz ZTHMUBDYVHBRHV-CABCVRRESA-N 0 0 457.601 -0.299 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN1CCOCC1(C)C ZINC001288842621 1069886700 /nfs/dbraw/zinc/88/67/00/1069886700.db2.gz ZTHMUBDYVHBRHV-GJZGRUSLSA-N 0 0 457.601 -0.299 20 0 JBADRN 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@H]1COCCO1 ZINC001288857491 1069892569 /nfs/dbraw/zinc/89/25/69/1069892569.db2.gz YZSWOPQUOASNEB-ARFHVFGLSA-N 0 0 472.568 -0.869 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@H]1COCCO1 ZINC001288857492 1069892689 /nfs/dbraw/zinc/89/26/89/1069892689.db2.gz YZSWOPQUOASNEB-BZUAXINKSA-N 0 0 472.568 -0.869 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@H]1COCCO1 ZINC001288857493 1069893065 /nfs/dbraw/zinc/89/30/65/1069893065.db2.gz YZSWOPQUOASNEB-OAGGEKHMSA-N 0 0 472.568 -0.869 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@H]1COCCO1 ZINC001288857494 1069893014 /nfs/dbraw/zinc/89/30/14/1069893014.db2.gz YZSWOPQUOASNEB-XHSDSOJGSA-N 0 0 472.568 -0.869 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001288857709 1069893083 /nfs/dbraw/zinc/89/30/83/1069893083.db2.gz ARQTUHAAOHJNPU-DOXZYTNZSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001288857712 1069892558 /nfs/dbraw/zinc/89/25/58/1069892558.db2.gz ARQTUHAAOHJNPU-KHYOSLBOSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001288857714 1069893969 /nfs/dbraw/zinc/89/39/69/1069893969.db2.gz ARQTUHAAOHJNPU-QMTMVMCOSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001288857716 1069893455 /nfs/dbraw/zinc/89/34/55/1069893455.db2.gz ARQTUHAAOHJNPU-YZVOILCLSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCCCCS(C)(=O)=O ZINC001288857789 1069893685 /nfs/dbraw/zinc/89/36/85/1069893685.db2.gz BASPNYNWFCJRRK-CYBMUJFWSA-N 0 0 450.587 -0.618 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCCCCS(C)(=O)=O ZINC001288857799 1069893898 /nfs/dbraw/zinc/89/38/98/1069893898.db2.gz BASPNYNWFCJRRK-ZDUSSCGKSA-N 0 0 450.587 -0.618 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001288858139 1069893570 /nfs/dbraw/zinc/89/35/70/1069893570.db2.gz DBPQXGKSHLYIPQ-BZSNNMDCSA-N 0 0 499.638 -0.563 20 0 JBADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COCCO2)CC1 ZINC001288858142 1069893835 /nfs/dbraw/zinc/89/38/35/1069893835.db2.gz DBPQXGKSHLYIPQ-KSZLIROESA-N 0 0 499.638 -0.563 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001288858144 1069893611 /nfs/dbraw/zinc/89/36/11/1069893611.db2.gz DBPQXGKSHLYIPQ-OKZBNKHCSA-N 0 0 499.638 -0.563 20 0 JBADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)CC1 ZINC001288858147 1069893482 /nfs/dbraw/zinc/89/34/82/1069893482.db2.gz DBPQXGKSHLYIPQ-RCCFBDPRSA-N 0 0 499.638 -0.563 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1nnc2n1CCCCC2 ZINC001288858174 1069893744 /nfs/dbraw/zinc/89/37/44/1069893744.db2.gz DKCPRUSBOMIUGA-KBPBESRZSA-N 0 0 465.584 -0.079 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1nnc2n1CCCCC2 ZINC001288858177 1069893923 /nfs/dbraw/zinc/89/39/23/1069893923.db2.gz DKCPRUSBOMIUGA-KGLIPLIRSA-N 0 0 465.584 -0.079 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1nnc2n1CCCCC2 ZINC001288858180 1069893948 /nfs/dbraw/zinc/89/39/48/1069893948.db2.gz DKCPRUSBOMIUGA-UONOGXRCSA-N 0 0 465.584 -0.079 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1nnc2n1CCCCC2 ZINC001288858182 1069893431 /nfs/dbraw/zinc/89/34/31/1069893431.db2.gz DKCPRUSBOMIUGA-ZIAGYGMSSA-N 0 0 465.584 -0.079 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001288858303 1069893877 /nfs/dbraw/zinc/89/38/77/1069893877.db2.gz DYMZUVAFLMQXLI-JYJNAYRXSA-N 0 0 497.601 -0.487 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001288858316 1069893522 /nfs/dbraw/zinc/89/35/22/1069893522.db2.gz DYMZUVAFLMQXLI-PMPSAXMXSA-N 0 0 497.601 -0.487 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001288858665 1069893991 /nfs/dbraw/zinc/89/39/91/1069893991.db2.gz GPZZPKIIISNJBX-HNNXBMFYSA-N 0 0 478.579 -0.553 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001288858666 1069893790 /nfs/dbraw/zinc/89/37/90/1069893790.db2.gz GPZZPKIIISNJBX-OAHLLOKOSA-N 0 0 478.579 -0.553 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCC1(O)CCC1 ZINC001288858742 1069893547 /nfs/dbraw/zinc/89/35/47/1069893547.db2.gz HWNFEMZAXYATGV-CVEARBPZSA-N 0 0 483.639 -0.018 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCC1(O)CCC1 ZINC001288858754 1069893718 /nfs/dbraw/zinc/89/37/18/1069893718.db2.gz HWNFEMZAXYATGV-HOTGVXAUSA-N 0 0 483.639 -0.018 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCC1(O)CCC1 ZINC001288858756 1069893663 /nfs/dbraw/zinc/89/36/63/1069893663.db2.gz HWNFEMZAXYATGV-HZPDHXFCSA-N 0 0 483.639 -0.018 20 0 JBADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(O)CCC2)CC1 ZINC001288858759 1069893762 /nfs/dbraw/zinc/89/37/62/1069893762.db2.gz HWNFEMZAXYATGV-JKSUJKDBSA-N 0 0 483.639 -0.018 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001288860228 1069894882 /nfs/dbraw/zinc/89/48/82/1069894882.db2.gz OTPJCBOPHAPYEE-KKUMJFAQSA-N 0 0 493.581 -0.089 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001288860231 1069894804 /nfs/dbraw/zinc/89/48/04/1069894804.db2.gz OTPJCBOPHAPYEE-RRFJBIMHSA-N 0 0 493.581 -0.089 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001288860234 1069894270 /nfs/dbraw/zinc/89/42/70/1069894270.db2.gz OTPJCBOPHAPYEE-SOUVJXGZSA-N 0 0 493.581 -0.089 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001288860236 1069894895 /nfs/dbraw/zinc/89/48/95/1069894895.db2.gz OTPJCBOPHAPYEE-ZNMIVQPWSA-N 0 0 493.581 -0.089 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCS(C)(=O)=O ZINC001288860415 1069894734 /nfs/dbraw/zinc/89/47/34/1069894734.db2.gz POOMHGXREZPMCR-AWEZNQCLSA-N 0 0 472.593 -0.035 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCS(C)(=O)=O ZINC001288860416 1069894869 /nfs/dbraw/zinc/89/48/69/1069894869.db2.gz POOMHGXREZPMCR-CQSZACIVSA-N 0 0 472.593 -0.035 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1nnc2n1CCCCC2 ZINC001288860497 1069894543 /nfs/dbraw/zinc/89/45/43/1069894543.db2.gz QLUWJCLQJGFKDT-CYBMUJFWSA-N 0 0 451.557 -0.467 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1nnc2n1CCCCC2 ZINC001288860498 1069894790 /nfs/dbraw/zinc/89/47/90/1069894790.db2.gz QLUWJCLQJGFKDT-ZDUSSCGKSA-N 0 0 451.557 -0.467 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1Cc1cnn(C)c1 ZINC001288860899 1069894755 /nfs/dbraw/zinc/89/47/55/1069894755.db2.gz VMAHPMQBVGZXSM-CABCVRRESA-N 0 0 479.611 -0.541 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1Cc1cnn(C)c1 ZINC001288860900 1069894778 /nfs/dbraw/zinc/89/47/78/1069894778.db2.gz VMAHPMQBVGZXSM-GJZGRUSLSA-N 0 0 479.611 -0.541 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1Cc1cnn(C)c1 ZINC001288860901 1069894291 /nfs/dbraw/zinc/89/42/91/1069894291.db2.gz VMAHPMQBVGZXSM-HUUCEWRRSA-N 0 0 479.611 -0.541 20 0 JBADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2)CC1 ZINC001288860902 1069894512 /nfs/dbraw/zinc/89/45/12/1069894512.db2.gz VMAHPMQBVGZXSM-LSDHHAIUSA-N 0 0 479.611 -0.541 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001288860949 1069894317 /nfs/dbraw/zinc/89/43/17/1069894317.db2.gz WOYLEFDVFIXMJF-CHWSQXEVSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001288860950 1069894428 /nfs/dbraw/zinc/89/44/28/1069894428.db2.gz WOYLEFDVFIXMJF-OLZOCXBDSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001288860951 1069895494 /nfs/dbraw/zinc/89/54/94/1069895494.db2.gz WOYLEFDVFIXMJF-QWHCGFSZSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001288860952 1069895639 /nfs/dbraw/zinc/89/56/39/1069895639.db2.gz WOYLEFDVFIXMJF-STQMWFEESA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@H]1COCCO1 ZINC001288861363 1069895511 /nfs/dbraw/zinc/89/55/11/1069895511.db2.gz ZLDISDWEZBABFU-INMHGKMJSA-N 0 0 485.611 -0.907 20 0 JBADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COCCO2)CC1 ZINC001288861364 1069895542 /nfs/dbraw/zinc/89/55/42/1069895542.db2.gz ZLDISDWEZBABFU-UXLLHSPISA-N 0 0 485.611 -0.907 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@H]1COCCO1 ZINC001288861365 1069895137 /nfs/dbraw/zinc/89/51/37/1069895137.db2.gz ZLDISDWEZBABFU-VYDXJSESSA-N 0 0 485.611 -0.907 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@H]1COCCO1 ZINC001288861366 1069895256 /nfs/dbraw/zinc/89/52/56/1069895256.db2.gz ZLDISDWEZBABFU-ZOBUZTSGSA-N 0 0 485.611 -0.907 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnccn3)CC2)n1CC(=O)NCC(F)F ZINC001288861519 1069895163 /nfs/dbraw/zinc/89/51/63/1069895163.db2.gz AIRCHGBBWQJHQM-GFCCVEGCSA-N 0 0 473.510 -0.614 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnccn3)CC2)n1CC(=O)NCC(F)F ZINC001288861520 1069895467 /nfs/dbraw/zinc/89/54/67/1069895467.db2.gz AIRCHGBBWQJHQM-LBPRGKRZSA-N 0 0 473.510 -0.614 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC(=O)N(C)C ZINC001288861527 1069895566 /nfs/dbraw/zinc/89/55/66/1069895566.db2.gz APSPPKTVZVGXJD-GFCCVEGCSA-N 0 0 455.520 -0.768 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC(=O)N(C)C ZINC001288861528 1069895304 /nfs/dbraw/zinc/89/53/04/1069895304.db2.gz APSPPKTVZVGXJD-LBPRGKRZSA-N 0 0 455.520 -0.768 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccnn3)CC2)n1CCNC(=O)C1CC1 ZINC001288861599 1069895188 /nfs/dbraw/zinc/89/51/88/1069895188.db2.gz BREBJHDGINOZFP-AWEZNQCLSA-N 0 0 463.568 -0.469 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccnn3)CC2)n1CCNC(=O)C1CC1 ZINC001288861600 1069895343 /nfs/dbraw/zinc/89/53/43/1069895343.db2.gz BREBJHDGINOZFP-CQSZACIVSA-N 0 0 463.568 -0.469 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccnn3)CC2)n1CCC(=O)N(C)C ZINC001288861733 1069895660 /nfs/dbraw/zinc/89/56/60/1069895660.db2.gz COIWMEYQZPAEKR-AWEZNQCLSA-N 0 0 451.557 -0.517 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccnn3)CC2)n1CCC(=O)N(C)C ZINC001288861734 1069895618 /nfs/dbraw/zinc/89/56/18/1069895618.db2.gz COIWMEYQZPAEKR-CQSZACIVSA-N 0 0 451.557 -0.517 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1CCNS(C)(=O)=O ZINC001288861741 1069895221 /nfs/dbraw/zinc/89/52/21/1069895221.db2.gz CTLWZKILUGODHN-AWEZNQCLSA-N 0 0 489.599 -0.097 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1CCNS(C)(=O)=O ZINC001288861742 1069895423 /nfs/dbraw/zinc/89/54/23/1069895423.db2.gz CTLWZKILUGODHN-CQSZACIVSA-N 0 0 489.599 -0.097 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC(=O)NC1CCCCC1 ZINC001288861783 1069896270 /nfs/dbraw/zinc/89/62/70/1069896270.db2.gz DQEPBAGJQQWLSA-INIZCTEOSA-N 0 0 498.654 -0.453 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC(=O)NC1CCCCC1 ZINC001288861784 1069896195 /nfs/dbraw/zinc/89/61/95/1069896195.db2.gz DQEPBAGJQQWLSA-MRXNPFEDSA-N 0 0 498.654 -0.453 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCC1(O)CCOCC1 ZINC001288861791 1069895977 /nfs/dbraw/zinc/89/59/77/1069895977.db2.gz DSAOIMKDOYBQCY-AWEZNQCLSA-N 0 0 456.569 -0.369 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCC1(O)CCOCC1 ZINC001288861792 1069896094 /nfs/dbraw/zinc/89/60/94/1069896094.db2.gz DSAOIMKDOYBQCY-CQSZACIVSA-N 0 0 456.569 -0.369 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CCCCCO ZINC001288861805 1069896515 /nfs/dbraw/zinc/89/65/15/1069896515.db2.gz DZQXTPYOZRHVRB-AWEZNQCLSA-N 0 0 454.557 -0.362 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CCCCCO ZINC001288861806 1069896293 /nfs/dbraw/zinc/89/62/93/1069896293.db2.gz DZQXTPYOZRHVRB-CQSZACIVSA-N 0 0 454.557 -0.362 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCc1ccn(C)n1 ZINC001288861831 1069896114 /nfs/dbraw/zinc/89/61/14/1069896114.db2.gz FFVZVDMNUJBIRJ-KRWDZBQOSA-N 0 0 493.638 -0.391 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCc1ccn(C)n1 ZINC001288861833 1069896220 /nfs/dbraw/zinc/89/62/20/1069896220.db2.gz FFVZVDMNUJBIRJ-QGZVFWFLSA-N 0 0 493.638 -0.391 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([S@](C)=O)CCC1 ZINC001288861840 1069896493 /nfs/dbraw/zinc/89/64/93/1069896493.db2.gz FJLJIEGSMHOANU-IWAYBZMOSA-N 0 0 489.668 -0.600 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001288861842 1069896038 /nfs/dbraw/zinc/89/60/38/1069896038.db2.gz FJLJIEGSMHOANU-LHEBDHONSA-N 0 0 489.668 -0.600 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001288861844 1069896240 /nfs/dbraw/zinc/89/62/40/1069896240.db2.gz FJLJIEGSMHOANU-PBNKOMEISA-N 0 0 489.668 -0.600 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([S@](C)=O)CCC1 ZINC001288861846 1069896141 /nfs/dbraw/zinc/89/61/41/1069896141.db2.gz FJLJIEGSMHOANU-QLCIJSRNSA-N 0 0 489.668 -0.600 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CCNC(=O)C1CC1 ZINC001288861924 1069896348 /nfs/dbraw/zinc/89/63/48/1069896348.db2.gz GEMUDNNBPWLKQT-CYBMUJFWSA-N 0 0 481.558 -0.330 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CCNC(=O)C1CC1 ZINC001288861929 1069896533 /nfs/dbraw/zinc/89/65/33/1069896533.db2.gz GEMUDNNBPWLKQT-ZDUSSCGKSA-N 0 0 481.558 -0.330 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)CC2)n1CCCC(=O)N(C)C ZINC001288861960 1069896171 /nfs/dbraw/zinc/89/61/71/1069896171.db2.gz GIJKXPXESQZKLA-HNNXBMFYSA-N 0 0 467.600 -0.183 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)CC2)n1CCCC(=O)N(C)C ZINC001288861963 1069896065 /nfs/dbraw/zinc/89/60/65/1069896065.db2.gz GIJKXPXESQZKLA-OAHLLOKOSA-N 0 0 467.600 -0.183 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F ZINC001288862075 1069897223 /nfs/dbraw/zinc/89/72/23/1069897223.db2.gz HCXQSKQLBSGIDK-GFCCVEGCSA-N 0 0 473.510 -0.614 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F ZINC001288862077 1069896706 /nfs/dbraw/zinc/89/67/06/1069896706.db2.gz HCXQSKQLBSGIDK-LBPRGKRZSA-N 0 0 473.510 -0.614 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001288862146 1069896950 /nfs/dbraw/zinc/89/69/50/1069896950.db2.gz HLIWEKLXXUBMBV-CABCVRRESA-N 0 0 477.595 -0.080 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001288862148 1069896728 /nfs/dbraw/zinc/89/67/28/1069896728.db2.gz HLIWEKLXXUBMBV-GJZGRUSLSA-N 0 0 477.595 -0.080 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001288862149 1069897155 /nfs/dbraw/zinc/89/71/55/1069897155.db2.gz HLIWEKLXXUBMBV-HUUCEWRRSA-N 0 0 477.595 -0.080 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001288862150 1069897116 /nfs/dbraw/zinc/89/71/16/1069897116.db2.gz HLIWEKLXXUBMBV-LSDHHAIUSA-N 0 0 477.595 -0.080 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@]1(C)CN(C2CC2)C1=O ZINC001288862276 1069897827 /nfs/dbraw/zinc/89/78/27/1069897827.db2.gz IMMVITCPYDGFEJ-BTYIYWSLSA-N 0 0 496.638 -0.891 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O ZINC001288862278 1069897608 /nfs/dbraw/zinc/89/76/08/1069897608.db2.gz IMMVITCPYDGFEJ-QVKFZJNVSA-N 0 0 496.638 -0.891 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@]1(C)CN(C2CC2)C1=O ZINC001288862280 1069897934 /nfs/dbraw/zinc/89/79/34/1069897934.db2.gz IMMVITCPYDGFEJ-VFNWGFHPSA-N 0 0 496.638 -0.891 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O ZINC001288862282 1069897498 /nfs/dbraw/zinc/89/74/98/1069897498.db2.gz IMMVITCPYDGFEJ-YCRPNKLZSA-N 0 0 496.638 -0.891 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H]1CCOC1 ZINC001288862297 1069897852 /nfs/dbraw/zinc/89/78/52/1069897852.db2.gz INNYTQSILKIVGI-KBPBESRZSA-N 0 0 452.541 -0.489 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H]1CCOC1 ZINC001288862300 1069897918 /nfs/dbraw/zinc/89/79/18/1069897918.db2.gz INNYTQSILKIVGI-KGLIPLIRSA-N 0 0 452.541 -0.489 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H]1CCOC1 ZINC001288862302 1069897636 /nfs/dbraw/zinc/89/76/36/1069897636.db2.gz INNYTQSILKIVGI-UONOGXRCSA-N 0 0 452.541 -0.489 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H]1CCOC1 ZINC001288862304 1069897864 /nfs/dbraw/zinc/89/78/64/1069897864.db2.gz INNYTQSILKIVGI-ZIAGYGMSSA-N 0 0 452.541 -0.489 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@H]1CCOC1 ZINC001288862611 1069897951 /nfs/dbraw/zinc/89/79/51/1069897951.db2.gz KAPGUGRGBGKTIR-CABCVRRESA-N 0 0 455.585 -0.675 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@H]1CCOC1 ZINC001288862612 1069897878 /nfs/dbraw/zinc/89/78/78/1069897878.db2.gz KAPGUGRGBGKTIR-GJZGRUSLSA-N 0 0 455.585 -0.675 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H]1CCOC1 ZINC001288862613 1069897529 /nfs/dbraw/zinc/89/75/29/1069897529.db2.gz KAPGUGRGBGKTIR-HUUCEWRRSA-N 0 0 455.585 -0.675 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H]1CCOC1 ZINC001288862615 1069897836 /nfs/dbraw/zinc/89/78/36/1069897836.db2.gz KAPGUGRGBGKTIR-LSDHHAIUSA-N 0 0 455.585 -0.675 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCN(C)CC(F)(F)F ZINC001288862667 1069898396 /nfs/dbraw/zinc/89/83/96/1069898396.db2.gz KKOMOXZNUCCQRZ-AWEZNQCLSA-N 0 0 498.576 -0.407 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCN(C)CC(F)(F)F ZINC001288862668 1069898329 /nfs/dbraw/zinc/89/83/29/1069898329.db2.gz KKOMOXZNUCCQRZ-CQSZACIVSA-N 0 0 498.576 -0.407 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H]1CCC=CO1 ZINC001288862833 1069898426 /nfs/dbraw/zinc/89/84/26/1069898426.db2.gz LLSBEHLZQBMMBE-DOTOQJQBSA-N 0 0 467.596 -0.018 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H]1CCC=CO1 ZINC001288862835 1069898280 /nfs/dbraw/zinc/89/82/80/1069898280.db2.gz LLSBEHLZQBMMBE-NVXWUHKLSA-N 0 0 467.596 -0.018 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@H]1CCC=CO1 ZINC001288862837 1069898559 /nfs/dbraw/zinc/89/85/59/1069898559.db2.gz LLSBEHLZQBMMBE-RDJZCZTQSA-N 0 0 467.596 -0.018 20 0 JBADRN 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCCN1CCOC1=O ZINC001288869797 1069902796 /nfs/dbraw/zinc/90/27/96/1069902796.db2.gz JVQKJYSQWGNMIQ-QWHCGFSZSA-N 0 0 457.513 -0.629 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCCN1CCOC1=O ZINC001288869798 1069902984 /nfs/dbraw/zinc/90/29/84/1069902984.db2.gz JVQKJYSQWGNMIQ-STQMWFEESA-N 0 0 457.513 -0.629 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001288869861 1069902847 /nfs/dbraw/zinc/90/28/47/1069902847.db2.gz KYHAMZOPLLJORV-CABCVRRESA-N 0 0 471.584 -0.360 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001288869862 1069902811 /nfs/dbraw/zinc/90/28/11/1069902811.db2.gz KYHAMZOPLLJORV-GJZGRUSLSA-N 0 0 471.584 -0.360 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001288869863 1069902874 /nfs/dbraw/zinc/90/28/74/1069902874.db2.gz KYHAMZOPLLJORV-HUUCEWRRSA-N 0 0 471.584 -0.360 20 0 JBADRN 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCSCC(F)(F)F ZINC001288869989 1069903676 /nfs/dbraw/zinc/90/36/76/1069903676.db2.gz LSVMZBSYUVVMKH-GHMZBOCLSA-N 0 0 499.541 -0.669 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCSCC(F)(F)F ZINC001288869990 1069903686 /nfs/dbraw/zinc/90/36/86/1069903686.db2.gz LSVMZBSYUVVMKH-MNOVXSKESA-N 0 0 499.541 -0.669 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCSCC(F)(F)F ZINC001288869991 1069903542 /nfs/dbraw/zinc/90/35/42/1069903542.db2.gz LSVMZBSYUVVMKH-QWRGUYRKSA-N 0 0 499.541 -0.669 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCSCC(F)(F)F ZINC001288869992 1069903469 /nfs/dbraw/zinc/90/34/69/1069903469.db2.gz LSVMZBSYUVVMKH-WDEREUQCSA-N 0 0 499.541 -0.669 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CC1(O)CCOCC1 ZINC001288870154 1069904281 /nfs/dbraw/zinc/90/42/81/1069904281.db2.gz MEQNKJPCZGLVKB-CXAGYDPISA-N 0 0 458.541 -0.539 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001288870158 1069904437 /nfs/dbraw/zinc/90/44/37/1069904437.db2.gz MTQDAJCFHNLXPI-CABCVRRESA-N 0 0 455.585 -0.545 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001288870159 1069904214 /nfs/dbraw/zinc/90/42/14/1069904214.db2.gz MTQDAJCFHNLXPI-GJZGRUSLSA-N 0 0 455.585 -0.545 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001288870160 1069904460 /nfs/dbraw/zinc/90/44/60/1069904460.db2.gz MTQDAJCFHNLXPI-HUUCEWRRSA-N 0 0 455.585 -0.545 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001288870161 1069904242 /nfs/dbraw/zinc/90/42/42/1069904242.db2.gz MTQDAJCFHNLXPI-LSDHHAIUSA-N 0 0 455.585 -0.545 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CC1(O)CCOCC1 ZINC001288870162 1069904326 /nfs/dbraw/zinc/90/43/26/1069904326.db2.gz MEQNKJPCZGLVKB-DYVFJYSZSA-N 0 0 458.541 -0.539 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CC1(O)CCOCC1 ZINC001288870164 1069904492 /nfs/dbraw/zinc/90/44/92/1069904492.db2.gz MEQNKJPCZGLVKB-GUYCJALGSA-N 0 0 458.541 -0.539 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CC1(O)CCOCC1 ZINC001288870166 1069904268 /nfs/dbraw/zinc/90/42/68/1069904268.db2.gz MEQNKJPCZGLVKB-SUMWQHHRSA-N 0 0 458.541 -0.539 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCCOC1CCOCC1 ZINC001288870283 1069904485 /nfs/dbraw/zinc/90/44/85/1069904485.db2.gz MYEWGDRDGCVBHE-HNNXBMFYSA-N 0 0 494.640 -0.444 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCCOC1CCOCC1 ZINC001288870289 1069904472 /nfs/dbraw/zinc/90/44/72/1069904472.db2.gz MYEWGDRDGCVBHE-OAHLLOKOSA-N 0 0 494.640 -0.444 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001288870501 1069905147 /nfs/dbraw/zinc/90/51/47/1069905147.db2.gz OEOFUYYUGOZDKX-CVEARBPZSA-N 0 0 490.652 -0.234 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001288870503 1069905030 /nfs/dbraw/zinc/90/50/30/1069905030.db2.gz OEOFUYYUGOZDKX-HOTGVXAUSA-N 0 0 490.652 -0.234 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001288870506 1069905153 /nfs/dbraw/zinc/90/51/53/1069905153.db2.gz OEOFUYYUGOZDKX-HZPDHXFCSA-N 0 0 490.652 -0.234 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001288870508 1069905122 /nfs/dbraw/zinc/90/51/22/1069905122.db2.gz OEOFUYYUGOZDKX-JKSUJKDBSA-N 0 0 490.652 -0.234 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001288870699 1069905048 /nfs/dbraw/zinc/90/50/48/1069905048.db2.gz QVVYERPFFUHQFM-GFCCVEGCSA-N 0 0 457.557 -0.309 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001288870700 1069905015 /nfs/dbraw/zinc/90/50/15/1069905015.db2.gz QVVYERPFFUHQFM-LBPRGKRZSA-N 0 0 457.557 -0.309 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870847 1069905058 /nfs/dbraw/zinc/90/50/58/1069905058.db2.gz RKKDAAXMTNUNGH-NEPJUHHUSA-N 0 0 469.490 -0.912 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870848 1069905167 /nfs/dbraw/zinc/90/51/67/1069905167.db2.gz RKKDAAXMTNUNGH-NWDGAFQWSA-N 0 0 469.490 -0.912 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870849 1069905091 /nfs/dbraw/zinc/90/50/91/1069905091.db2.gz RKKDAAXMTNUNGH-RYUDHWBXSA-N 0 0 469.490 -0.912 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001288870850 1069905107 /nfs/dbraw/zinc/90/51/07/1069905107.db2.gz RKKDAAXMTNUNGH-VXGBXAGGSA-N 0 0 469.490 -0.912 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1nccn1C(F)F ZINC001288870999 1069905175 /nfs/dbraw/zinc/90/51/75/1069905175.db2.gz OZBLEOGROZDSLS-LLVKDONJSA-N 0 0 482.539 -0.390 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1nccn1C(F)F ZINC001288871006 1069905075 /nfs/dbraw/zinc/90/50/75/1069905075.db2.gz OZBLEOGROZDSLS-NSHDSACASA-N 0 0 482.539 -0.390 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCc1cccc(F)c1F ZINC001288871060 1069905143 /nfs/dbraw/zinc/90/51/43/1069905143.db2.gz PIIOTTTYLHRZSM-GXTWGEPZSA-N 0 0 497.528 -0.444 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCc1cccc(F)c1F ZINC001288871065 1069904993 /nfs/dbraw/zinc/90/49/93/1069904993.db2.gz PIIOTTTYLHRZSM-JSGCOSHPSA-N 0 0 497.528 -0.444 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCc1cccc(F)c1F ZINC001288871067 1069905162 /nfs/dbraw/zinc/90/51/62/1069905162.db2.gz PIIOTTTYLHRZSM-OCCSQVGLSA-N 0 0 497.528 -0.444 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCc1cccc(F)c1F ZINC001288871071 1069905081 /nfs/dbraw/zinc/90/50/81/1069905081.db2.gz PIIOTTTYLHRZSM-TZMCWYRMSA-N 0 0 497.528 -0.444 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCCCCS(C)(=O)=O ZINC001288871163 1069905132 /nfs/dbraw/zinc/90/51/32/1069905132.db2.gz PSPKICJORBKBEW-CABCVRRESA-N 0 0 491.640 -0.341 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCCCCS(C)(=O)=O ZINC001288871165 1069905040 /nfs/dbraw/zinc/90/50/40/1069905040.db2.gz PSPKICJORBKBEW-GJZGRUSLSA-N 0 0 491.640 -0.341 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCCCCS(C)(=O)=O ZINC001288871168 1069905011 /nfs/dbraw/zinc/90/50/11/1069905011.db2.gz PSPKICJORBKBEW-HUUCEWRRSA-N 0 0 491.640 -0.341 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCCCCS(C)(=O)=O ZINC001288871170 1069905137 /nfs/dbraw/zinc/90/51/37/1069905137.db2.gz PSPKICJORBKBEW-LSDHHAIUSA-N 0 0 491.640 -0.341 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871438 1069905564 /nfs/dbraw/zinc/90/55/64/1069905564.db2.gz ULGRYVXABNQXRG-CABCVRRESA-N 0 0 457.601 -0.429 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871439 1069905706 /nfs/dbraw/zinc/90/57/06/1069905706.db2.gz ULGRYVXABNQXRG-GJZGRUSLSA-N 0 0 457.601 -0.429 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871440 1069905723 /nfs/dbraw/zinc/90/57/23/1069905723.db2.gz ULGRYVXABNQXRG-HUUCEWRRSA-N 0 0 457.601 -0.429 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001288871442 1069905598 /nfs/dbraw/zinc/90/55/98/1069905598.db2.gz ULGRYVXABNQXRG-LSDHHAIUSA-N 0 0 457.601 -0.429 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1(O)CCC1 ZINC001288871533 1069905671 /nfs/dbraw/zinc/90/56/71/1069905671.db2.gz QMXBWZWAHLLADV-QWHCGFSZSA-N 0 0 450.587 -0.727 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1(O)CCC1 ZINC001288871536 1069905642 /nfs/dbraw/zinc/90/56/42/1069905642.db2.gz QMXBWZWAHLLADV-STQMWFEESA-N 0 0 450.587 -0.727 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCCn1cccn1 ZINC001288871674 1069905631 /nfs/dbraw/zinc/90/56/31/1069905631.db2.gz QYALOEAUBPDWOT-AWEZNQCLSA-N 0 0 460.586 -0.743 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCCn1cccn1 ZINC001288871678 1069905698 /nfs/dbraw/zinc/90/56/98/1069905698.db2.gz QYALOEAUBPDWOT-CQSZACIVSA-N 0 0 460.586 -0.743 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@@]1(C)COCCO1 ZINC001288871689 1069905594 /nfs/dbraw/zinc/90/55/94/1069905594.db2.gz RABQSCZHYYFEAK-DEYYWGMASA-N 0 0 457.557 -0.750 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@@]1(C)COCCO1 ZINC001288871695 1069905799 /nfs/dbraw/zinc/90/57/99/1069905799.db2.gz RABQSCZHYYFEAK-IYOUNJFTSA-N 0 0 457.557 -0.750 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@]1(C)COCCO1 ZINC001288871697 1069905535 /nfs/dbraw/zinc/90/55/35/1069905535.db2.gz RABQSCZHYYFEAK-PMUMKWKESA-N 0 0 457.557 -0.750 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@]1(C)COCCO1 ZINC001288871701 1069905794 /nfs/dbraw/zinc/90/57/94/1069905794.db2.gz RABQSCZHYYFEAK-SUNYJGFJSA-N 0 0 457.557 -0.750 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN1CCOCC1(C)C ZINC001288871715 1069906458 /nfs/dbraw/zinc/90/64/58/1069906458.db2.gz RDORIVTVHVXOSL-CVEARBPZSA-N 0 0 469.612 -0.190 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN1CCOCC1(C)C ZINC001288871718 1069906377 /nfs/dbraw/zinc/90/63/77/1069906377.db2.gz RDORIVTVHVXOSL-HOTGVXAUSA-N 0 0 469.612 -0.190 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN1CCOCC1(C)C ZINC001288871721 1069906314 /nfs/dbraw/zinc/90/63/14/1069906314.db2.gz RDORIVTVHVXOSL-HZPDHXFCSA-N 0 0 469.612 -0.190 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN1CCOCC1(C)C ZINC001288871724 1069906367 /nfs/dbraw/zinc/90/63/67/1069906367.db2.gz RDORIVTVHVXOSL-JKSUJKDBSA-N 0 0 469.612 -0.190 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001288871738 1069906292 /nfs/dbraw/zinc/90/62/92/1069906292.db2.gz VOXUGXYWDGEJEP-CABCVRRESA-N 0 0 478.641 -0.378 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001288871742 1069906275 /nfs/dbraw/zinc/90/62/75/1069906275.db2.gz VOXUGXYWDGEJEP-GJZGRUSLSA-N 0 0 478.641 -0.378 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001288871745 1069906307 /nfs/dbraw/zinc/90/63/07/1069906307.db2.gz VOXUGXYWDGEJEP-HUUCEWRRSA-N 0 0 478.641 -0.378 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001288871749 1069906445 /nfs/dbraw/zinc/90/64/45/1069906445.db2.gz VOXUGXYWDGEJEP-LSDHHAIUSA-N 0 0 478.641 -0.378 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@](C)(O)c1ccco1 ZINC001288871751 1069906259 /nfs/dbraw/zinc/90/62/59/1069906259.db2.gz VPPSVWGVAGIYBR-DOXZYTNZSA-N 0 0 454.553 -0.090 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@](C)(O)c1ccco1 ZINC001288871754 1069906338 /nfs/dbraw/zinc/90/63/38/1069906338.db2.gz VPPSVWGVAGIYBR-KHYOSLBOSA-N 0 0 454.553 -0.090 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@](C)(O)c1ccco1 ZINC001288871757 1069906394 /nfs/dbraw/zinc/90/63/94/1069906394.db2.gz VPPSVWGVAGIYBR-QMTMVMCOSA-N 0 0 454.553 -0.090 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@](C)(O)c1ccco1 ZINC001288871760 1069906198 /nfs/dbraw/zinc/90/61/98/1069906198.db2.gz VPPSVWGVAGIYBR-YZVOILCLSA-N 0 0 454.553 -0.090 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001288871823 1069906280 /nfs/dbraw/zinc/90/62/80/1069906280.db2.gz VUNWXXPXALNZOR-CABCVRRESA-N 0 0 461.548 -0.122 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001288871825 1069906425 /nfs/dbraw/zinc/90/64/25/1069906425.db2.gz VUNWXXPXALNZOR-GJZGRUSLSA-N 0 0 461.548 -0.122 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001288871826 1069906360 /nfs/dbraw/zinc/90/63/60/1069906360.db2.gz VUNWXXPXALNZOR-HUUCEWRRSA-N 0 0 461.548 -0.122 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001288871828 1069906451 /nfs/dbraw/zinc/90/64/51/1069906451.db2.gz VUNWXXPXALNZOR-LSDHHAIUSA-N 0 0 461.548 -0.122 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001288872183 1069906881 /nfs/dbraw/zinc/90/68/81/1069906881.db2.gz TVINUTRHYNFZJY-ARFHVFGLSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001288872184 1069906923 /nfs/dbraw/zinc/90/69/23/1069906923.db2.gz TVINUTRHYNFZJY-BZUAXINKSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001288872185 1069907034 /nfs/dbraw/zinc/90/70/34/1069907034.db2.gz TVINUTRHYNFZJY-OAGGEKHMSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001288872186 1069907084 /nfs/dbraw/zinc/90/70/84/1069907084.db2.gz TVINUTRHYNFZJY-XHSDSOJGSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCC(=O)N1CCCCC1 ZINC001288872946 1069906997 /nfs/dbraw/zinc/90/69/97/1069906997.db2.gz VYCXGZQWXFVPML-CVEARBPZSA-N 0 0 482.611 -0.153 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCC(=O)N1CCCCC1 ZINC001288872947 1069907113 /nfs/dbraw/zinc/90/71/13/1069907113.db2.gz VYCXGZQWXFVPML-HOTGVXAUSA-N 0 0 482.611 -0.153 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCC(=O)N1CCCCC1 ZINC001288872948 1069906868 /nfs/dbraw/zinc/90/68/68/1069906868.db2.gz VYCXGZQWXFVPML-HZPDHXFCSA-N 0 0 482.611 -0.153 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCC(=O)N1CCCCC1 ZINC001288872949 1069907069 /nfs/dbraw/zinc/90/70/69/1069907069.db2.gz VYCXGZQWXFVPML-JKSUJKDBSA-N 0 0 482.611 -0.153 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001288872986 1069907050 /nfs/dbraw/zinc/90/70/50/1069907050.db2.gz WTUJPCIPPGMQQY-GDBMZVCRSA-N 0 0 460.626 -0.145 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001288872987 1069906902 /nfs/dbraw/zinc/90/69/02/1069906902.db2.gz WTUJPCIPPGMQQY-GOEBONIOSA-N 0 0 460.626 -0.145 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001288872988 1069907134 /nfs/dbraw/zinc/90/71/34/1069907134.db2.gz WTUJPCIPPGMQQY-HOCLYGCPSA-N 0 0 460.626 -0.145 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001288872989 1069906971 /nfs/dbraw/zinc/90/69/71/1069906971.db2.gz WTUJPCIPPGMQQY-ZBFHGGJFSA-N 0 0 460.626 -0.145 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCCC(=O)NC1CC1 ZINC001288873329 1069907122 /nfs/dbraw/zinc/90/71/22/1069907122.db2.gz ZHAAQAUUSSIHNC-BFUOFWGJSA-N 0 0 469.568 -0.022 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCCC(=O)NC1CC1 ZINC001288873330 1069907102 /nfs/dbraw/zinc/90/71/02/1069907102.db2.gz ZHAAQAUUSSIHNC-DJJJIMSYSA-N 0 0 469.568 -0.022 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCCC(=O)NC1CC1 ZINC001288873331 1069906986 /nfs/dbraw/zinc/90/69/86/1069906986.db2.gz ZHAAQAUUSSIHNC-ORAYPTAESA-N 0 0 469.568 -0.022 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCCC(=O)NC1CC1 ZINC001288873332 1069906942 /nfs/dbraw/zinc/90/69/42/1069906942.db2.gz ZHAAQAUUSSIHNC-YJYMSZOUSA-N 0 0 469.568 -0.022 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCS(C)(=O)=O ZINC001288873350 1069907629 /nfs/dbraw/zinc/90/76/29/1069907629.db2.gz ZOZCSYWMYQPFOZ-LLVKDONJSA-N 0 0 462.520 -0.383 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCS(C)(=O)=O ZINC001288873351 1069907749 /nfs/dbraw/zinc/90/77/49/1069907749.db2.gz ZOZCSYWMYQPFOZ-NSHDSACASA-N 0 0 462.520 -0.383 20 0 JBADRN 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Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)N4CCCC4)CC3)n2CCNS(C)(=O)=O)o1 ZINC001289594235 1069914798 /nfs/dbraw/zinc/91/47/98/1069914798.db2.gz NSLREMSMANUPHO-UHFFFAOYSA-N 0 0 479.563 -0.333 20 0 JBADRN Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)n2CCNS(C)(=O)=O)o1 ZINC001289595361 1069914860 /nfs/dbraw/zinc/91/48/60/1069914860.db2.gz IYQFFFKEYCTCBG-UHFFFAOYSA-N 0 0 481.579 -0.623 20 0 JBADRN Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@]2(O)CCS(=O)(=O)C2)o1 ZINC001289602199 1069914974 /nfs/dbraw/zinc/91/49/74/1069914974.db2.gz MWNQHGAXZCNJNW-SCLBCKFNSA-N 0 0 473.577 -0.134 20 0 JBADRN Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 ZINC001289602200 1069914921 /nfs/dbraw/zinc/91/49/21/1069914921.db2.gz MWNQHGAXZCNJNW-UGSOOPFHSA-N 0 0 473.577 -0.134 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(N3CCNC3=O)CC2)c(=O)n1C ZINC001289661756 1069914697 /nfs/dbraw/zinc/91/46/97/1069914697.db2.gz GPPBGNUUULYSIL-HNNXBMFYSA-N 0 0 492.606 -0.062 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(N3CCNC3=O)CC2)c(=O)n1C ZINC001289661784 1069914780 /nfs/dbraw/zinc/91/47/80/1069914780.db2.gz GPPBGNUUULYSIL-OAHLLOKOSA-N 0 0 492.606 -0.062 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(F)c1 ZINC001289663428 1069914721 /nfs/dbraw/zinc/91/47/21/1069914721.db2.gz VJDFLPNWLLPMDW-DZGCQCFKSA-N 0 0 479.538 -0.469 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c(F)c1 ZINC001289663429 1069914846 /nfs/dbraw/zinc/91/48/46/1069914846.db2.gz VJDFLPNWLLPMDW-HIFRSBDPSA-N 0 0 479.538 -0.469 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(F)c1 ZINC001289663430 1069914836 /nfs/dbraw/zinc/91/48/36/1069914836.db2.gz VJDFLPNWLLPMDW-UKRRQHHQSA-N 0 0 479.538 -0.469 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c(F)c1 ZINC001289663431 1069914749 /nfs/dbraw/zinc/91/47/49/1069914749.db2.gz VJDFLPNWLLPMDW-ZFWWWQNUSA-N 0 0 479.538 -0.469 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)c(=O)n1C ZINC001289663496 1069914912 /nfs/dbraw/zinc/91/49/12/1069914912.db2.gz WKJDSRUPYKAMJL-JLTOFOAXSA-N 0 0 479.563 -0.025 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)c(=O)n1C ZINC001289663497 1069914648 /nfs/dbraw/zinc/91/46/48/1069914648.db2.gz WKJDSRUPYKAMJL-VBKZILBWSA-N 0 0 479.563 -0.025 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)c(=O)n1C ZINC001289663498 1069914940 /nfs/dbraw/zinc/91/49/40/1069914940.db2.gz WKJDSRUPYKAMJL-VLIAUNLRSA-N 0 0 479.563 -0.025 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)c(=O)n1C ZINC001289663499 1069914827 /nfs/dbraw/zinc/91/48/27/1069914827.db2.gz WKJDSRUPYKAMJL-XOBRGWDASA-N 0 0 479.563 -0.025 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(S(C)(=O)=O)CC2)c(=O)n1C ZINC001289663694 1069914765 /nfs/dbraw/zinc/91/47/65/1069914765.db2.gz YLDKYNXQIKOTOV-AWEZNQCLSA-N 0 0 487.608 -0.975 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(S(C)(=O)=O)CC2)c(=O)n1C ZINC001289663695 1069915696 /nfs/dbraw/zinc/91/56/96/1069915696.db2.gz YLDKYNXQIKOTOV-CQSZACIVSA-N 0 0 487.608 -0.975 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)c(=O)n1C ZINC001289676662 1069915687 /nfs/dbraw/zinc/91/56/87/1069915687.db2.gz IUVRHEMPKUUNJT-INIZCTEOSA-N 0 0 463.564 -0.244 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)c(=O)n1C ZINC001289676663 1069915485 /nfs/dbraw/zinc/91/54/85/1069915485.db2.gz IUVRHEMPKUUNJT-MRXNPFEDSA-N 0 0 463.564 -0.244 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCNS(C)(=O)=O)c(=O)n1C ZINC001289681652 1069915412 /nfs/dbraw/zinc/91/54/12/1069915412.db2.gz WOZXPZARXIVHPB-HNNXBMFYSA-N 0 0 472.593 -0.779 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCNS(C)(=O)=O)c(=O)n1C ZINC001289681653 1069915585 /nfs/dbraw/zinc/91/55/85/1069915585.db2.gz WOZXPZARXIVHPB-OAHLLOKOSA-N 0 0 472.593 -0.779 20 0 JBADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)c(=O)n1C ZINC001289693132 1069915596 /nfs/dbraw/zinc/91/55/96/1069915596.db2.gz HUPDSYQEDKBXEG-UHFFFAOYSA-N 0 0 457.535 -0.249 20 0 JBADRN COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C[C@H]1C(=O)OC ZINC001289739994 1069915634 /nfs/dbraw/zinc/91/56/34/1069915634.db2.gz KFLSDMUUOBVQCA-GASCZTMLSA-N 0 0 458.464 -0.119 20 0 JBADRN COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C[C@@H]1C(=O)OC ZINC001289739998 1069915399 /nfs/dbraw/zinc/91/53/99/1069915399.db2.gz KFLSDMUUOBVQCA-GJZGRUSLSA-N 0 0 458.464 -0.119 20 0 JBADRN COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C[C@H]1C(=O)OC ZINC001289740000 1069915352 /nfs/dbraw/zinc/91/53/52/1069915352.db2.gz KFLSDMUUOBVQCA-HUUCEWRRSA-N 0 0 458.464 -0.119 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCOCCCO)cc1 ZINC001289825877 1069915672 /nfs/dbraw/zinc/91/56/72/1069915672.db2.gz MBUCGXNVDALBJF-KRWDZBQOSA-N 0 0 458.519 -0.288 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCOCCCO)cc1 ZINC001289825878 1069915374 /nfs/dbraw/zinc/91/53/74/1069915374.db2.gz MBUCGXNVDALBJF-QGZVFWFLSA-N 0 0 458.519 -0.288 20 0 JBADRN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)CCO2)cc1 ZINC001289828873 1069915427 /nfs/dbraw/zinc/91/54/27/1069915427.db2.gz UZKPSJOSQRFFFH-UHFFFAOYSA-N 0 0 450.535 -0.228 20 0 JBADRN Cc1ccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)cc1 ZINC001289848309 1069915558 /nfs/dbraw/zinc/91/55/58/1069915558.db2.gz CSHAAHLHYCDRJS-KRWDZBQOSA-N 0 0 464.548 -0.065 20 0 JBADRN Cc1ccc(OCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)cc1 ZINC001289848310 1069915516 /nfs/dbraw/zinc/91/55/16/1069915516.db2.gz CSHAAHLHYCDRJS-QGZVFWFLSA-N 0 0 464.548 -0.065 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 ZINC001289855897 1069915658 /nfs/dbraw/zinc/91/56/58/1069915658.db2.gz JYEWCGLHHWOERF-CYBMUJFWSA-N 0 0 453.550 -0.918 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)s1 ZINC001289855898 1069915538 /nfs/dbraw/zinc/91/55/38/1069915538.db2.gz JYEWCGLHHWOERF-ZDUSSCGKSA-N 0 0 453.550 -0.918 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)C2)s1 ZINC001289856283 1069915651 /nfs/dbraw/zinc/91/56/51/1069915651.db2.gz PXPADEIXJSCQTJ-GFCCVEGCSA-N 0 0 453.550 -0.486 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)C2)s1 ZINC001289856284 1069915617 /nfs/dbraw/zinc/91/56/17/1069915617.db2.gz PXPADEIXJSCQTJ-LBPRGKRZSA-N 0 0 453.550 -0.486 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)s1 ZINC001289856815 1069915572 /nfs/dbraw/zinc/91/55/72/1069915572.db2.gz ZUPFOKQTMIXKTE-AWEZNQCLSA-N 0 0 481.604 -0.103 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 ZINC001289856816 1069915445 /nfs/dbraw/zinc/91/54/45/1069915445.db2.gz ZUPFOKQTMIXKTE-CQSZACIVSA-N 0 0 481.604 -0.103 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)n2CC(C)(C)O)n1 ZINC001289978579 1069916309 /nfs/dbraw/zinc/91/63/09/1069916309.db2.gz CTJMADBUDCMLFX-UHFFFAOYSA-N 0 0 457.535 -0.073 20 0 JBADRN NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC001289982299 1069916221 /nfs/dbraw/zinc/91/62/21/1069916221.db2.gz JVRHAMPVYGODRA-GFCCVEGCSA-N 0 0 452.505 -0.287 20 0 JBADRN NS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC001289982301 1069916373 /nfs/dbraw/zinc/91/63/73/1069916373.db2.gz JVRHAMPVYGODRA-LBPRGKRZSA-N 0 0 452.505 -0.287 20 0 JBADRN CCOCCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001289983273 1069916274 /nfs/dbraw/zinc/91/62/74/1069916274.db2.gz XQNSZXZGPKYFBC-UHFFFAOYSA-N 0 0 455.505 -0.246 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCOCCS(C)(=O)=O)n1 ZINC001289984887 1069916288 /nfs/dbraw/zinc/91/62/88/1069916288.db2.gz BQXBITUIZXHFDS-UHFFFAOYSA-N 0 0 472.593 -0.209 20 0 JBADRN Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCS(=O)(=O)N2CCSCC2)n1 ZINC001289985546 1069916346 /nfs/dbraw/zinc/91/63/46/1069916346.db2.gz MCCZXLHPSVSWQB-UHFFFAOYSA-N 0 0 451.578 -0.037 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CC(=O)N2CCOCC2)n1 ZINC001289986615 1069916258 /nfs/dbraw/zinc/91/62/58/1069916258.db2.gz YMVWXCJIDWIKGF-INIZCTEOSA-N 0 0 463.564 -0.023 20 0 JBADRN CNS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC001290001253 1069916380 /nfs/dbraw/zinc/91/63/80/1069916380.db2.gz VZTFSGVWCWKSKS-UHFFFAOYSA-N 0 0 455.356 -0.664 20 0 JBADRN Cc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)(=O)CC2)n1 ZINC001290021607 1069916201 /nfs/dbraw/zinc/91/62/01/1069916201.db2.gz JRPZGZBWEZGOFS-KRWDZBQOSA-N 0 0 484.604 -0.208 20 0 JBADRN Cc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)(=O)CC2)n1 ZINC001290021608 1069916408 /nfs/dbraw/zinc/91/64/08/1069916408.db2.gz JRPZGZBWEZGOFS-QGZVFWFLSA-N 0 0 484.604 -0.208 20 0 JBADRN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC001290039642 1069916365 /nfs/dbraw/zinc/91/63/65/1069916365.db2.gz LEDDQCDKPYMODZ-ABAIWWIYSA-N 0 0 453.546 -0.200 20 0 JBADRN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC001290039643 1069916179 /nfs/dbraw/zinc/91/61/79/1069916179.db2.gz LEDDQCDKPYMODZ-IAQYHMDHSA-N 0 0 453.546 -0.200 20 0 JBADRN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC001290039644 1069916236 /nfs/dbraw/zinc/91/62/36/1069916236.db2.gz LEDDQCDKPYMODZ-NHYWBVRUSA-N 0 0 453.546 -0.200 20 0 JBADRN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC001290039645 1069916360 /nfs/dbraw/zinc/91/63/60/1069916360.db2.gz LEDDQCDKPYMODZ-XHDPSFHLSA-N 0 0 453.546 -0.200 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)CC2)cc1 ZINC001290054296 1069916330 /nfs/dbraw/zinc/91/63/30/1069916330.db2.gz UJPNAYQLRCLKSR-KRWDZBQOSA-N 0 0 454.549 -0.066 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC2)cc1 ZINC001290054298 1069916133 /nfs/dbraw/zinc/91/61/33/1069916133.db2.gz UJPNAYQLRCLKSR-QGZVFWFLSA-N 0 0 454.549 -0.066 20 0 JBADRN O=C(N[C@@H](CO)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccc(F)n1 ZINC001290059313 1069916189 /nfs/dbraw/zinc/91/61/89/1069916189.db2.gz YRBXRQDMLLGXTI-INIZCTEOSA-N 0 0 454.455 -0.016 20 0 JBADRN Cc1cccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001290079690 1069916246 /nfs/dbraw/zinc/91/62/46/1069916246.db2.gz CWYMSLHTYCIQRR-INIZCTEOSA-N 0 0 455.519 -0.049 20 0 JBADRN Cc1cccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001290079693 1069916323 /nfs/dbraw/zinc/91/63/23/1069916323.db2.gz CWYMSLHTYCIQRR-MRXNPFEDSA-N 0 0 455.519 -0.049 20 0 JBADRN Cc1ccccc1-c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCS(C)(=O)=O ZINC001290129327 1069916421 /nfs/dbraw/zinc/91/64/21/1069916421.db2.gz RETHFCSLLXTVPR-UHFFFAOYSA-N 0 0 490.586 -0.194 20 0 JBADRN Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001290191334 1069917153 /nfs/dbraw/zinc/91/71/53/1069917153.db2.gz FPGZDOZYCRAQMA-GDBMZVCRSA-N 0 0 461.548 -0.608 20 0 JBADRN Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001290191335 1069917099 /nfs/dbraw/zinc/91/70/99/1069917099.db2.gz FPGZDOZYCRAQMA-GOEBONIOSA-N 0 0 461.548 -0.608 20 0 JBADRN Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001290191336 1069916964 /nfs/dbraw/zinc/91/69/64/1069916964.db2.gz FPGZDOZYCRAQMA-HOCLYGCPSA-N 0 0 461.548 -0.608 20 0 JBADRN Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001290191337 1069917129 /nfs/dbraw/zinc/91/71/29/1069917129.db2.gz FPGZDOZYCRAQMA-ZBFHGGJFSA-N 0 0 461.548 -0.608 20 0 JBADRN Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)[C@@H](O)C(=O)N2C)cn1 ZINC001290219069 1069916949 /nfs/dbraw/zinc/91/69/49/1069916949.db2.gz CLWGTTWVIURXFU-GUDVDZBRSA-N 0 0 477.543 -0.752 20 0 JBADRN COc1cccc(C(=O)N2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)c1OC ZINC001290233028 1069917002 /nfs/dbraw/zinc/91/70/02/1069917002.db2.gz TZBGWAFMJAGZKM-UHFFFAOYSA-N 0 0 454.549 -0.435 20 0 JBADRN NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001290247084 1069917122 /nfs/dbraw/zinc/91/71/22/1069917122.db2.gz JEMRNEFQPHNZMT-DLBZAZTESA-N 0 0 454.524 -0.940 20 0 JBADRN NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001290247091 1069917160 /nfs/dbraw/zinc/91/71/60/1069917160.db2.gz JEMRNEFQPHNZMT-IAGOWNOFSA-N 0 0 454.524 -0.940 20 0 JBADRN NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001290247093 1069916922 /nfs/dbraw/zinc/91/69/22/1069916922.db2.gz JEMRNEFQPHNZMT-IRXDYDNUSA-N 0 0 454.524 -0.940 20 0 JBADRN NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001290247095 1069917135 /nfs/dbraw/zinc/91/71/35/1069917135.db2.gz JEMRNEFQPHNZMT-SJORKVTESA-N 0 0 454.524 -0.940 20 0 JBADRN CC1=CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001290264587 1069917069 /nfs/dbraw/zinc/91/70/69/1069917069.db2.gz LMXYXDWBXKKXDM-GJZGRUSLSA-N 0 0 467.552 -0.244 20 0 JBADRN CC1=CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001290264592 1069917190 /nfs/dbraw/zinc/91/71/90/1069917190.db2.gz LMXYXDWBXKKXDM-LSDHHAIUSA-N 0 0 467.552 -0.244 20 0 JBADRN CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001290269255 1069916983 /nfs/dbraw/zinc/91/69/83/1069916983.db2.gz GIWLFIYMEVFXKJ-UHFFFAOYSA-N 0 0 457.574 -0.459 20 0 JBADRN CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC001290270349 1069917082 /nfs/dbraw/zinc/91/70/82/1069917082.db2.gz WVFQTBLLRMKTBA-QVKFZJNVSA-N 0 0 470.592 -0.309 20 0 JBADRN NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)C1 ZINC001290271332 1069917181 /nfs/dbraw/zinc/91/71/81/1069917181.db2.gz MTXDGWOLIDVSKJ-GFCCVEGCSA-N 0 0 452.505 -0.287 20 0 JBADRN NS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)C1 ZINC001290271333 1069917019 /nfs/dbraw/zinc/91/70/19/1069917019.db2.gz MTXDGWOLIDVSKJ-LBPRGKRZSA-N 0 0 452.505 -0.287 20 0 JBADRN Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC001290279528 1069917141 /nfs/dbraw/zinc/91/71/41/1069917141.db2.gz OKIAHRBTYWOFGV-UHFFFAOYSA-N 0 0 471.566 -0.108 20 0 JBADRN Cc1cnn(C[C@@H]2CN(c3nnc(CN4CCCC4=O)n3CCS(C)(=O)=O)CCO2)c1 ZINC001290281535 1069917859 /nfs/dbraw/zinc/91/78/59/1069917859.db2.gz YYHWBLAXDLVGNS-INIZCTEOSA-N 0 0 451.553 -0.145 20 0 JBADRN Cc1cnn(C[C@H]2CN(c3nnc(CN4CCCC4=O)n3CCS(C)(=O)=O)CCO2)c1 ZINC001290281536 1069917884 /nfs/dbraw/zinc/91/78/84/1069917884.db2.gz YYHWBLAXDLVGNS-MRXNPFEDSA-N 0 0 451.553 -0.145 20 0 JBADRN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4n(n3)CCN(C)S4(=O)=O)CC2)C1 ZINC001290317634 1069917834 /nfs/dbraw/zinc/91/78/34/1069917834.db2.gz ABUBGKLFSINYHI-HOTGVXAUSA-N 0 0 452.581 -0.221 20 0 JBADRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4n(n3)CCN(C)S4(=O)=O)CC2)C1 ZINC001290317635 1069917872 /nfs/dbraw/zinc/91/78/72/1069917872.db2.gz ABUBGKLFSINYHI-HZPDHXFCSA-N 0 0 452.581 -0.221 20 0 JBADRN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4n(n3)CCN(C)S4(=O)=O)CC2)C1 ZINC001290317636 1069917843 /nfs/dbraw/zinc/91/78/43/1069917843.db2.gz ABUBGKLFSINYHI-IYBDPMFKSA-N 0 0 452.581 -0.221 20 0 JBADRN Cc1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC(=O)N2CCOCC2)n1 ZINC001290345311 1069917786 /nfs/dbraw/zinc/91/77/86/1069917786.db2.gz ZPGZFOCEMCSUJF-CYBMUJFWSA-N 0 0 457.582 -0.003 20 0 JBADRN Cc1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC(=O)N2CCOCC2)n1 ZINC001290345315 1069917736 /nfs/dbraw/zinc/91/77/36/1069917736.db2.gz ZPGZFOCEMCSUJF-ZDUSSCGKSA-N 0 0 457.582 -0.003 20 0 JBADRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3CN(S(C)(=O)=O)C3)CC2)c1 ZINC001290352174 1069917847 /nfs/dbraw/zinc/91/78/47/1069917847.db2.gz FTAWJMDVTJULRU-UHFFFAOYSA-N 0 0 451.548 -0.741 20 0 JBADRN Cc1nc(C)c(CCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)s1 ZINC001290361389 1069917720 /nfs/dbraw/zinc/91/77/20/1069917720.db2.gz HDLVGLHQORQSKY-AWEZNQCLSA-N 0 0 460.564 -0.121 20 0 JBADRN Cc1nc(C)c(CCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 ZINC001290361390 1069917777 /nfs/dbraw/zinc/91/77/77/1069917777.db2.gz HDLVGLHQORQSKY-CQSZACIVSA-N 0 0 460.564 -0.121 20 0 JBADRN Cc1nc(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2CC(=O)N2CCOCC2)cs1 ZINC001290388376 1069917765 /nfs/dbraw/zinc/91/77/65/1069917765.db2.gz KQBRTIXHNPPKTL-UHFFFAOYSA-N 0 0 463.564 -0.212 20 0 JBADRN Cc1nc(Cc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@]2(O)CCS(=O)(=O)C2)cs1 ZINC001290403984 1069917874 /nfs/dbraw/zinc/91/78/74/1069917874.db2.gz FCSMCFSNIHGRJZ-KPZWWZAWSA-N 0 0 454.578 -0.150 20 0 JBADRN Cc1nc(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@]2(O)CCS(=O)(=O)C2)cs1 ZINC001290403985 1069917790 /nfs/dbraw/zinc/91/77/90/1069917790.db2.gz FCSMCFSNIHGRJZ-KZULUSFZSA-N 0 0 454.578 -0.150 20 0 JBADRN Cc1nc(Cc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@]2(O)CCS(=O)(=O)C2)cs1 ZINC001290403986 1069917701 /nfs/dbraw/zinc/91/77/01/1069917701.db2.gz FCSMCFSNIHGRJZ-SGTLLEGYSA-N 0 0 454.578 -0.150 20 0 JBADRN Cc1nc(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@]2(O)CCS(=O)(=O)C2)cs1 ZINC001290403987 1069917855 /nfs/dbraw/zinc/91/78/55/1069917855.db2.gz FCSMCFSNIHGRJZ-XIKOKIGWSA-N 0 0 454.578 -0.150 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCS(C)(=O)=O)cs1 ZINC001290432864 1069917799 /nfs/dbraw/zinc/91/77/99/1069917799.db2.gz PXPUSCKNUKSUDI-UHFFFAOYSA-N 0 0 455.610 -0.111 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCC(=O)N(C)C)cs1 ZINC001290435456 1069917864 /nfs/dbraw/zinc/91/78/64/1069917864.db2.gz QZEQADBNMSEZLE-HNNXBMFYSA-N 0 0 460.564 -0.351 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCC(=O)N(C)C)cs1 ZINC001290435457 1069917685 /nfs/dbraw/zinc/91/76/85/1069917685.db2.gz QZEQADBNMSEZLE-OAHLLOKOSA-N 0 0 460.564 -0.351 20 0 JBADRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC001290445907 1069917753 /nfs/dbraw/zinc/91/77/53/1069917753.db2.gz NBGJPMNNUZBUQZ-KBXCAEBGSA-N 0 0 455.515 -0.272 20 0 JBADRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC001290445909 1069918494 /nfs/dbraw/zinc/91/84/94/1069918494.db2.gz NBGJPMNNUZBUQZ-KDOFPFPSSA-N 0 0 455.515 -0.272 20 0 JBADRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC001290445910 1069918486 /nfs/dbraw/zinc/91/84/86/1069918486.db2.gz NBGJPMNNUZBUQZ-KSSFIOAISA-N 0 0 455.515 -0.272 20 0 JBADRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC001290445911 1069918568 /nfs/dbraw/zinc/91/85/68/1069918568.db2.gz NBGJPMNNUZBUQZ-RDTXWAMCSA-N 0 0 455.515 -0.272 20 0 JBADRN Cc1nc(CCn2c(C(=O)N3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)n[nH]1 ZINC001290447992 1069918536 /nfs/dbraw/zinc/91/85/36/1069918536.db2.gz VZKZGJZTLQMIEZ-UHFFFAOYSA-N 0 0 451.557 -0.345 20 0 JBADRN CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC001290449191 1069918412 /nfs/dbraw/zinc/91/84/12/1069918412.db2.gz FSGWVVGUDUGLMI-UHFFFAOYSA-N 0 0 459.594 -0.667 20 0 JBADRN C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001290456139 1069918531 /nfs/dbraw/zinc/91/85/31/1069918531.db2.gz LPAFRSNJXKNFDX-DOTOQJQBSA-N 0 0 451.549 -0.334 20 0 JBADRN C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001290456141 1069918473 /nfs/dbraw/zinc/91/84/73/1069918473.db2.gz LPAFRSNJXKNFDX-NVXWUHKLSA-N 0 0 451.549 -0.334 20 0 JBADRN C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001290456144 1069918525 /nfs/dbraw/zinc/91/85/25/1069918525.db2.gz LPAFRSNJXKNFDX-RDJZCZTQSA-N 0 0 451.549 -0.334 20 0 JBADRN C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001290456146 1069918479 /nfs/dbraw/zinc/91/84/79/1069918479.db2.gz LPAFRSNJXKNFDX-WBVHZDCISA-N 0 0 451.549 -0.334 20 0 JBADRN CCN1CCOC[C@@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001290456708 1069918462 /nfs/dbraw/zinc/91/84/62/1069918462.db2.gz PBZSISJHBOPHBU-GOSISDBHSA-N 0 0 453.565 -0.528 20 0 JBADRN CCN1CCOC[C@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001290456709 1069918576 /nfs/dbraw/zinc/91/85/76/1069918576.db2.gz PBZSISJHBOPHBU-SFHVURJKSA-N 0 0 453.565 -0.528 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCOC2)n[nH]1 ZINC001290457917 1069918393 /nfs/dbraw/zinc/91/83/93/1069918393.db2.gz WOHNPOJPZGCHMH-CABCVRRESA-N 0 0 454.557 -0.247 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H]2CCOC2)n[nH]1 ZINC001290457921 1069918435 /nfs/dbraw/zinc/91/84/35/1069918435.db2.gz WOHNPOJPZGCHMH-GJZGRUSLSA-N 0 0 454.557 -0.247 20 0 JBADRN Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCOC2)n[nH]1 ZINC001290457922 1069918325 /nfs/dbraw/zinc/91/83/25/1069918325.db2.gz WOHNPOJPZGCHMH-HUUCEWRRSA-N 0 0 454.557 -0.247 20 0 JBADRN Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H]2CCOC2)n[nH]1 ZINC001290457924 1069918511 /nfs/dbraw/zinc/91/85/11/1069918511.db2.gz WOHNPOJPZGCHMH-LSDHHAIUSA-N 0 0 454.557 -0.247 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(C(C)(C)C)n3CCNS(C)(=O)=O)CC2)cn1C ZINC001290467902 1069918453 /nfs/dbraw/zinc/91/84/53/1069918453.db2.gz AEEFNURXDCTVCE-UHFFFAOYSA-N 0 0 488.640 -0.322 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(CN4CCCC4=O)n3CC(C)(C)O)CC2)cn1C ZINC001290467972 1069919159 /nfs/dbraw/zinc/91/91/59/1069919159.db2.gz CGMJDYCVUUQDKZ-UHFFFAOYSA-N 0 0 480.595 -0.276 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)CC2)cn1C ZINC001290468998 1069919414 /nfs/dbraw/zinc/91/94/14/1069919414.db2.gz NSNVXPCTMMDKON-UHFFFAOYSA-N 0 0 487.590 -0.095 20 0 JBADRN Cc1ncc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)s1 ZINC001290492398 1069919226 /nfs/dbraw/zinc/91/92/26/1069919226.db2.gz XLAKUBUPQKFVFS-AWEZNQCLSA-N 0 0 455.566 -0.297 20 0 JBADRN Cc1ncc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)s1 ZINC001290492399 1069919369 /nfs/dbraw/zinc/91/93/69/1069919369.db2.gz XLAKUBUPQKFVFS-CQSZACIVSA-N 0 0 455.566 -0.297 20 0 JBADRN 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CCC(CC)NC(=O)c1nnc(N2CCNC(=O)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001292133892 1069948663 /nfs/dbraw/zinc/94/86/63/1069948663.db2.gz KSZFMNASCLBJKB-AWEZNQCLSA-N 0 0 455.585 -0.196 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001292133893 1069948813 /nfs/dbraw/zinc/94/88/13/1069948813.db2.gz KSZFMNASCLBJKB-CQSZACIVSA-N 0 0 455.585 -0.196 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC(=O)NCC(F)(F)F ZINC001292133904 1069948849 /nfs/dbraw/zinc/94/88/49/1069948849.db2.gz LCMVTXOGESQMQK-GFCCVEGCSA-N 0 0 463.461 -0.174 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC(=O)NCC(F)(F)F ZINC001292133905 1069948742 /nfs/dbraw/zinc/94/87/42/1069948742.db2.gz LCMVTXOGESQMQK-LBPRGKRZSA-N 0 0 463.461 -0.174 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCCNS(C)(=O)=O ZINC001292134022 1069948827 /nfs/dbraw/zinc/94/88/27/1069948827.db2.gz OKVIRGXBTGFKIG-HNNXBMFYSA-N 0 0 470.600 -0.308 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCCNS(C)(=O)=O ZINC001292134023 1069949313 /nfs/dbraw/zinc/94/93/13/1069949313.db2.gz OKVIRGXBTGFKIG-OAHLLOKOSA-N 0 0 470.600 -0.308 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CCOC[C@@H]1C ZINC001292134044 1069949386 /nfs/dbraw/zinc/94/93/86/1069949386.db2.gz OSRYBFOJMVRTGZ-DOTOQJQBSA-N 0 0 476.582 -0.936 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CCOC[C@H]1C ZINC001292134045 1069949218 /nfs/dbraw/zinc/94/92/18/1069949218.db2.gz OSRYBFOJMVRTGZ-NVXWUHKLSA-N 0 0 476.582 -0.936 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CCOC[C@@H]1C ZINC001292134046 1069949111 /nfs/dbraw/zinc/94/91/11/1069949111.db2.gz OSRYBFOJMVRTGZ-RDJZCZTQSA-N 0 0 476.582 -0.936 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CCOC[C@H]1C ZINC001292134047 1069949327 /nfs/dbraw/zinc/94/93/27/1069949327.db2.gz OSRYBFOJMVRTGZ-WBVHZDCISA-N 0 0 476.582 -0.936 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1Cc1cnnn1C ZINC001292134335 1069949174 /nfs/dbraw/zinc/94/91/74/1069949174.db2.gz RCUIBVGVWQITME-HNNXBMFYSA-N 0 0 458.527 -0.154 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1Cc1cnnn1C ZINC001292134337 1069949336 /nfs/dbraw/zinc/94/93/36/1069949336.db2.gz RCUIBVGVWQITME-OAHLLOKOSA-N 0 0 458.527 -0.154 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCc1nccnc1C ZINC001292134344 1069949318 /nfs/dbraw/zinc/94/93/18/1069949318.db2.gz RHHRRHYVALJENN-INIZCTEOSA-N 0 0 469.550 -0.315 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCc1nccnc1C ZINC001292134348 1069949186 /nfs/dbraw/zinc/94/91/86/1069949186.db2.gz RHHRRHYVALJENN-MRXNPFEDSA-N 0 0 469.550 -0.315 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1nnc(C)s1 ZINC001292134355 1069949285 /nfs/dbraw/zinc/94/92/85/1069949285.db2.gz RJHHSPCUJPVGJR-CYBMUJFWSA-N 0 0 461.552 -0.448 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1nnc(C)s1 ZINC001292134359 1069949351 /nfs/dbraw/zinc/94/93/51/1069949351.db2.gz RJHHSPCUJPVGJR-ZDUSSCGKSA-N 0 0 461.552 -0.448 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCS(=O)(=O)N(C)C ZINC001292134668 1069949277 /nfs/dbraw/zinc/94/92/77/1069949277.db2.gz ZGDHUMUVNMJUSJ-AWEZNQCLSA-N 0 0 459.573 -0.961 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCS(=O)(=O)N(C)C ZINC001292134669 1069949372 /nfs/dbraw/zinc/94/93/72/1069949372.db2.gz ZGDHUMUVNMJUSJ-CQSZACIVSA-N 0 0 459.573 -0.961 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC1(S(C)(=O)=O)CC1 ZINC001292134732 1069949380 /nfs/dbraw/zinc/94/93/80/1069949380.db2.gz VPABZGLAYCFHFC-AWEZNQCLSA-N 0 0 453.569 -0.013 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC1(S(C)(=O)=O)CC1 ZINC001292134733 1069949201 /nfs/dbraw/zinc/94/92/01/1069949201.db2.gz VPABZGLAYCFHFC-CQSZACIVSA-N 0 0 453.569 -0.013 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@H]1CCC(=O)N1 ZINC001292134900 1069949127 /nfs/dbraw/zinc/94/91/27/1069949127.db2.gz YEQLQDPPNVXQAA-CABCVRRESA-N 0 0 460.539 -0.052 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@H]1CCC(=O)N1 ZINC001292134901 1069949297 /nfs/dbraw/zinc/94/92/97/1069949297.db2.gz YEQLQDPPNVXQAA-HUUCEWRRSA-N 0 0 460.539 -0.052 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCCn1cc(CO)nn1 ZINC001292134974 1069949232 /nfs/dbraw/zinc/94/92/32/1069949232.db2.gz ZODBZIHDUPXLJY-KRWDZBQOSA-N 0 0 474.570 -0.073 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCCn1cc(CO)nn1 ZINC001292134975 1069949362 /nfs/dbraw/zinc/94/93/62/1069949362.db2.gz ZODBZIHDUPXLJY-QGZVFWFLSA-N 0 0 474.570 -0.073 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001292146420 1069949153 /nfs/dbraw/zinc/94/91/53/1069949153.db2.gz NPDQEULJVLVIRD-OAHLLOKOSA-N 0 0 476.625 -0.145 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001292159054 1069950086 /nfs/dbraw/zinc/95/00/86/1069950086.db2.gz CKNCCDFCMIXJMM-PMACEKPBSA-N 0 0 471.580 -0.258 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001292159064 1069949879 /nfs/dbraw/zinc/94/98/79/1069949879.db2.gz CKNCCDFCMIXJMM-UXHICEINSA-N 0 0 471.580 -0.258 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001292159067 1069949934 /nfs/dbraw/zinc/94/99/34/1069949934.db2.gz CKNCCDFCMIXJMM-VQTJNVASSA-N 0 0 471.580 -0.258 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001292159069 1069949917 /nfs/dbraw/zinc/94/99/17/1069949917.db2.gz CKNCCDFCMIXJMM-WOJBJXKFSA-N 0 0 471.580 -0.258 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001292164381 1069950060 /nfs/dbraw/zinc/95/00/60/1069950060.db2.gz OKSXQTNFYGQXMX-AEFFLSMTSA-N 0 0 499.638 -0.181 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001292164384 1069949947 /nfs/dbraw/zinc/94/99/47/1069949947.db2.gz OKSXQTNFYGQXMX-FUHWJXTLSA-N 0 0 499.638 -0.181 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001292164387 1069949901 /nfs/dbraw/zinc/94/99/01/1069949901.db2.gz OKSXQTNFYGQXMX-SJLPKXTDSA-N 0 0 499.638 -0.181 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001292164390 1069950017 /nfs/dbraw/zinc/95/00/17/1069950017.db2.gz OKSXQTNFYGQXMX-WMZOPIPTSA-N 0 0 499.638 -0.181 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001292168185 1069949853 /nfs/dbraw/zinc/94/98/53/1069949853.db2.gz XGYNBMVDUSAJQT-FQEVSTJZSA-N 0 0 492.625 -0.298 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001292168186 1069949925 /nfs/dbraw/zinc/94/99/25/1069949925.db2.gz XGYNBMVDUSAJQT-HXUWFJFHSA-N 0 0 492.625 -0.298 20 0 JBADRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001292175838 1069949981 /nfs/dbraw/zinc/94/99/81/1069949981.db2.gz IIRCSLUNUGPFRU-CABCVRRESA-N 0 0 453.583 -0.985 20 0 JBADRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001292175840 1069950043 /nfs/dbraw/zinc/95/00/43/1069950043.db2.gz IIRCSLUNUGPFRU-GJZGRUSLSA-N 0 0 453.583 -0.985 20 0 JBADRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001292175842 1069949995 /nfs/dbraw/zinc/94/99/95/1069949995.db2.gz IIRCSLUNUGPFRU-HUUCEWRRSA-N 0 0 453.583 -0.985 20 0 JBADRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001292175844 1069950079 /nfs/dbraw/zinc/95/00/79/1069950079.db2.gz IIRCSLUNUGPFRU-LSDHHAIUSA-N 0 0 453.583 -0.985 20 0 JBADRN CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)OC ZINC001292207873 1069950062 /nfs/dbraw/zinc/95/00/62/1069950062.db2.gz MRRQDRHCSKXIPF-KRWDZBQOSA-N 0 0 460.539 -0.389 20 0 JBADRN CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)OC ZINC001292207874 1069950024 /nfs/dbraw/zinc/95/00/24/1069950024.db2.gz MRRQDRHCSKXIPF-QGZVFWFLSA-N 0 0 460.539 -0.389 20 0 JBADRN CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC ZINC001292226835 1069950763 /nfs/dbraw/zinc/95/07/63/1069950763.db2.gz YESCOAFFEIPRAS-KFWWJZLASA-N 0 0 465.598 -0.341 20 0 JBADRN CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC ZINC001292226836 1069950720 /nfs/dbraw/zinc/95/07/20/1069950720.db2.gz YESCOAFFEIPRAS-RBSFLKMASA-N 0 0 465.598 -0.341 20 0 JBADRN CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC ZINC001292226837 1069950639 /nfs/dbraw/zinc/95/06/39/1069950639.db2.gz YESCOAFFEIPRAS-RRFJBIMHSA-N 0 0 465.598 -0.341 20 0 JBADRN CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC ZINC001292226838 1069950776 /nfs/dbraw/zinc/95/07/76/1069950776.db2.gz YESCOAFFEIPRAS-ZNMIVQPWSA-N 0 0 465.598 -0.341 20 0 JBADRN CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)OC ZINC001292246130 1069950547 /nfs/dbraw/zinc/95/05/47/1069950547.db2.gz DCWXLEKRPKJSSS-KRWDZBQOSA-N 0 0 477.566 -0.667 20 0 JBADRN CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)OC ZINC001292246131 1069950747 /nfs/dbraw/zinc/95/07/47/1069950747.db2.gz DCWXLEKRPKJSSS-QGZVFWFLSA-N 0 0 477.566 -0.667 20 0 JBADRN CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001292267091 1069950731 /nfs/dbraw/zinc/95/07/31/1069950731.db2.gz IRCVRTYCYKYQHO-KBPBESRZSA-N 0 0 466.630 -0.091 20 0 JBADRN CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001292267093 1069950698 /nfs/dbraw/zinc/95/06/98/1069950698.db2.gz IRCVRTYCYKYQHO-UONOGXRCSA-N 0 0 466.630 -0.091 20 0 JBADRN CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001292283974 1069950567 /nfs/dbraw/zinc/95/05/67/1069950567.db2.gz KLJUSNCMELVAOO-CABCVRRESA-N 0 0 472.568 -0.197 20 0 JBADRN CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001292283975 1069950759 /nfs/dbraw/zinc/95/07/59/1069950759.db2.gz KLJUSNCMELVAOO-GJZGRUSLSA-N 0 0 472.568 -0.197 20 0 JBADRN CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001292283976 1069950782 /nfs/dbraw/zinc/95/07/82/1069950782.db2.gz KLJUSNCMELVAOO-HUUCEWRRSA-N 0 0 472.568 -0.197 20 0 JBADRN CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001292283977 1069950655 /nfs/dbraw/zinc/95/06/55/1069950655.db2.gz KLJUSNCMELVAOO-LSDHHAIUSA-N 0 0 472.568 -0.197 20 0 JBADRN CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001292284125 1069950594 /nfs/dbraw/zinc/95/05/94/1069950594.db2.gz LOGRUFSKWKVKQJ-AWEZNQCLSA-N 0 0 467.614 -0.357 20 0 JBADRN CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001292284126 1069950676 /nfs/dbraw/zinc/95/06/76/1069950676.db2.gz LOGRUFSKWKVKQJ-CQSZACIVSA-N 0 0 467.614 -0.357 20 0 JBADRN CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001292284362 1069950738 /nfs/dbraw/zinc/95/07/38/1069950738.db2.gz OZSNRRVJFMEUTG-INIZCTEOSA-N 0 0 484.623 -0.096 20 0 JBADRN CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001292284363 1069950626 /nfs/dbraw/zinc/95/06/26/1069950626.db2.gz OZSNRRVJFMEUTG-MRXNPFEDSA-N 0 0 484.623 -0.096 20 0 JBADRN CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001292284387 1069950610 /nfs/dbraw/zinc/95/06/10/1069950610.db2.gz PTLOQLGCANIBFD-CABCVRRESA-N 0 0 479.625 -0.215 20 0 JBADRN CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001292284388 1069950771 /nfs/dbraw/zinc/95/07/71/1069950771.db2.gz PTLOQLGCANIBFD-GJZGRUSLSA-N 0 0 479.625 -0.215 20 0 JBADRN CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001292284389 1069950686 /nfs/dbraw/zinc/95/06/86/1069950686.db2.gz PTLOQLGCANIBFD-HUUCEWRRSA-N 0 0 479.625 -0.215 20 0 JBADRN CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001292284390 1069950666 /nfs/dbraw/zinc/95/06/66/1069950666.db2.gz PTLOQLGCANIBFD-LSDHHAIUSA-N 0 0 479.625 -0.215 20 0 JBADRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC001292284719 1069951454 /nfs/dbraw/zinc/95/14/54/1069951454.db2.gz CKEYSPBXGFTQFD-CYBMUJFWSA-N 0 0 452.624 -0.703 20 0 JBADRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC001292284729 1069951341 /nfs/dbraw/zinc/95/13/41/1069951341.db2.gz CKEYSPBXGFTQFD-ZDUSSCGKSA-N 0 0 452.624 -0.703 20 0 JBADRN CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001292285171 1069951443 /nfs/dbraw/zinc/95/14/43/1069951443.db2.gz ZLZATBYBOZLWIU-CABCVRRESA-N 0 0 458.585 -0.171 20 0 JBADRN CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001292285172 1069951394 /nfs/dbraw/zinc/95/13/94/1069951394.db2.gz ZLZATBYBOZLWIU-GJZGRUSLSA-N 0 0 458.585 -0.171 20 0 JBADRN CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001292285173 1069951333 /nfs/dbraw/zinc/95/13/33/1069951333.db2.gz ZLZATBYBOZLWIU-HUUCEWRRSA-N 0 0 458.585 -0.171 20 0 JBADRN CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001292285174 1069951321 /nfs/dbraw/zinc/95/13/21/1069951321.db2.gz ZLZATBYBOZLWIU-LSDHHAIUSA-N 0 0 458.585 -0.171 20 0 JBADRN CS(=O)(=O)N1CCN(CC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001292290583 1069951421 /nfs/dbraw/zinc/95/14/21/1069951421.db2.gz MTPUJSBCWJUBKF-UHFFFAOYSA-N 0 0 458.606 -0.219 20 0 JBADRN CC[C@@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)CCO1 ZINC001292346480 1069951378 /nfs/dbraw/zinc/95/13/78/1069951378.db2.gz KNCSDAVXBMHXJA-BBRMVZONSA-N 0 0 452.603 -0.167 20 0 JBADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)CCO1 ZINC001292346481 1069951435 /nfs/dbraw/zinc/95/14/35/1069951435.db2.gz KNCSDAVXBMHXJA-CJNGLKHVSA-N 0 0 452.603 -0.167 20 0 JBADRN CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)CCO1 ZINC001292346482 1069951386 /nfs/dbraw/zinc/95/13/86/1069951386.db2.gz KNCSDAVXBMHXJA-CZUORRHYSA-N 0 0 452.603 -0.167 20 0 JBADRN CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)CCO1 ZINC001292346483 1069951364 /nfs/dbraw/zinc/95/13/64/1069951364.db2.gz KNCSDAVXBMHXJA-XJKSGUPXSA-N 0 0 452.603 -0.167 20 0 JBADRN CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001292367833 1069951472 /nfs/dbraw/zinc/95/14/72/1069951472.db2.gz FZKIQNAQWDSOOJ-GOSISDBHSA-N 0 0 451.517 -0.260 20 0 JBADRN CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001292367834 1069951459 /nfs/dbraw/zinc/95/14/59/1069951459.db2.gz FZKIQNAQWDSOOJ-SFHVURJKSA-N 0 0 451.517 -0.260 20 0 JBADRN CC(C)C(=O)N[C@@H](CO)C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001292368651 1069951351 /nfs/dbraw/zinc/95/13/51/1069951351.db2.gz OGKJNNQBYQRSIH-INIZCTEOSA-N 0 0 455.533 -0.186 20 0 JBADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CCO1 ZINC001292370808 1069951402 /nfs/dbraw/zinc/95/14/02/1069951402.db2.gz PBLCCXGEZYCKGD-JXFKEZNVSA-N 0 0 486.595 -0.525 20 0 JBADRN CC[C@]1(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CCO1 ZINC001292370809 1069951291 /nfs/dbraw/zinc/95/12/91/1069951291.db2.gz PBLCCXGEZYCKGD-OXJNMPFZSA-N 0 0 486.595 -0.525 20 0 JBADRN CC[C@]1(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CCO1 ZINC001292370810 1069951273 /nfs/dbraw/zinc/95/12/73/1069951273.db2.gz PBLCCXGEZYCKGD-OXQOHEQNSA-N 0 0 486.595 -0.525 20 0 JBADRN CC[C@@]1(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CCO1 ZINC001292370811 1069951408 /nfs/dbraw/zinc/95/14/08/1069951408.db2.gz PBLCCXGEZYCKGD-UZLBHIALSA-N 0 0 486.595 -0.525 20 0 JBADRN Cn1cc([C@@H]2[C@@H](C(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001292373537 1069951300 /nfs/dbraw/zinc/95/13/00/1069951300.db2.gz VIWYOZVRENMKBL-NJDAHSKKSA-N 0 0 454.531 -0.235 20 0 JBADRN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001292499382 1069952218 /nfs/dbraw/zinc/95/22/18/1069952218.db2.gz ZODQNKSIXPNSSP-BLLLJJGKSA-N 0 0 454.530 -0.139 20 0 JBADRN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001292499385 1069952240 /nfs/dbraw/zinc/95/22/40/1069952240.db2.gz ZODQNKSIXPNSSP-LRDDRELGSA-N 0 0 454.530 -0.139 20 0 JBADRN C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001292499386 1069952272 /nfs/dbraw/zinc/95/22/72/1069952272.db2.gz ZODQNKSIXPNSSP-MLGOLLRUSA-N 0 0 454.530 -0.139 20 0 JBADRN C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001292499387 1069952146 /nfs/dbraw/zinc/95/21/46/1069952146.db2.gz ZODQNKSIXPNSSP-WBMJQRKESA-N 0 0 454.530 -0.139 20 0 JBADRN CCS(=O)(=O)NCCNC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001292503497 1069952051 /nfs/dbraw/zinc/95/20/51/1069952051.db2.gz GKTXBPOKNZYDGZ-UHFFFAOYSA-N 0 0 450.262 -0.064 20 0 JBADRN 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O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001292654852 1069952266 /nfs/dbraw/zinc/95/22/66/1069952266.db2.gz KTGUZMQWBMOUPI-QWHCGFSZSA-N 0 0 451.332 -0.268 20 0 JBADRN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001292655053 1069952931 /nfs/dbraw/zinc/95/29/31/1069952931.db2.gz KTGUZMQWBMOUPI-STQMWFEESA-N 0 0 451.332 -0.268 20 0 JBADRN C[C@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001292655088 1069952986 /nfs/dbraw/zinc/95/29/86/1069952986.db2.gz LKALKSOEQAPWFM-AHRSYUTCSA-N 0 0 454.568 -0.050 20 0 JBADRN C[C@H](C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001292655089 1069953010 /nfs/dbraw/zinc/95/30/10/1069953010.db2.gz LKALKSOEQAPWFM-LSTHTHJFSA-N 0 0 454.568 -0.050 20 0 JBADRN C[C@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001292655090 1069953017 /nfs/dbraw/zinc/95/30/17/1069953017.db2.gz LKALKSOEQAPWFM-NSISKUIASA-N 0 0 454.568 -0.050 20 0 JBADRN C[C@H](C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001292655091 1069952977 /nfs/dbraw/zinc/95/29/77/1069952977.db2.gz LKALKSOEQAPWFM-UXPWSPDFSA-N 0 0 454.568 -0.050 20 0 JBADRN C[C@]1(c2cccc(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)c2)NC(=O)NC1=O ZINC001292693791 1069952904 /nfs/dbraw/zinc/95/29/04/1069952904.db2.gz HPQGTTJGIFIERR-JOCHJYFZSA-N 0 0 451.487 0.000 20 0 JBADRN C[C@@]1(c2cccc(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)c2)NC(=O)NC1=O ZINC001292693792 1069952970 /nfs/dbraw/zinc/95/29/70/1069952970.db2.gz HPQGTTJGIFIERR-QFIPXVFZSA-N 0 0 451.487 0.000 20 0 JBADRN O=C(CNS(=O)(=O)c1ccccc1F)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC001292694088 1069953020 /nfs/dbraw/zinc/95/30/20/1069953020.db2.gz KGJLDHBOTDNCIK-UHFFFAOYSA-N 0 0 450.496 -0.251 20 0 JBADRN CC(=O)N1CCN(CCOc2ccc(CCNC(=O)CCn3cc[nH]c(=O)c3=O)cc2)CC1 ZINC001292705780 1069953064 /nfs/dbraw/zinc/95/30/64/1069953064.db2.gz DITUSJPMBQMGPG-UHFFFAOYSA-N 0 0 457.531 -0.172 20 0 JBADRN CCc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)no1 ZINC001292709538 1069952876 /nfs/dbraw/zinc/95/28/76/1069952876.db2.gz FXSPVESFDQVAIK-CYBMUJFWSA-N 0 0 452.541 -0.170 20 0 JBADRN CCc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)no1 ZINC001292709539 1069953003 /nfs/dbraw/zinc/95/30/03/1069953003.db2.gz FXSPVESFDQVAIK-ZDUSSCGKSA-N 0 0 452.541 -0.170 20 0 JBADRN CNS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC001292734400 1069952947 /nfs/dbraw/zinc/95/29/47/1069952947.db2.gz YKHNJGGRHVIWFL-UHFFFAOYSA-N 0 0 453.565 -0.137 20 0 JBADRN CCc1nn(C)c(CC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001292756621 1069952959 /nfs/dbraw/zinc/95/29/59/1069952959.db2.gz RJJCXEOSEIDPGC-AWEZNQCLSA-N 0 0 471.566 -0.530 20 0 JBADRN CCc1nn(C)c(CC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001292756622 1069952839 /nfs/dbraw/zinc/95/28/39/1069952839.db2.gz RJJCXEOSEIDPGC-CQSZACIVSA-N 0 0 471.566 -0.530 20 0 JBADRN CCc1nn(C)c(CC)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001292766989 1069952918 /nfs/dbraw/zinc/95/29/18/1069952918.db2.gz IVFRILBIWWQDMU-KRWDZBQOSA-N 0 0 480.595 -0.546 20 0 JBADRN CCc1nn(C)c(CC)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001292766991 1069952989 /nfs/dbraw/zinc/95/29/89/1069952989.db2.gz IVFRILBIWWQDMU-QGZVFWFLSA-N 0 0 480.595 -0.546 20 0 JBADRN CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001292772240 1069952998 /nfs/dbraw/zinc/95/29/98/1069952998.db2.gz BMJDHKMJROBENJ-KBPBESRZSA-N 0 0 495.610 -0.203 20 0 JBADRN CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001292772241 1069952864 /nfs/dbraw/zinc/95/28/64/1069952864.db2.gz BMJDHKMJROBENJ-KGLIPLIRSA-N 0 0 495.610 -0.203 20 0 JBADRN CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001292772242 1069952966 /nfs/dbraw/zinc/95/29/66/1069952966.db2.gz BMJDHKMJROBENJ-UONOGXRCSA-N 0 0 495.610 -0.203 20 0 JBADRN CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001292772243 1069953056 /nfs/dbraw/zinc/95/30/56/1069953056.db2.gz BMJDHKMJROBENJ-ZIAGYGMSSA-N 0 0 495.610 -0.203 20 0 JBADRN CCc1nn(C)c(OC)c1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001292773809 1069953662 /nfs/dbraw/zinc/95/36/62/1069953662.db2.gz JIHLYJNCIQEBCS-INIZCTEOSA-N 0 0 460.539 -0.182 20 0 JBADRN CCc1nn(C)c(OC)c1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001292773810 1069953622 /nfs/dbraw/zinc/95/36/22/1069953622.db2.gz JIHLYJNCIQEBCS-MRXNPFEDSA-N 0 0 460.539 -0.182 20 0 JBADRN CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O ZINC001292777679 1069953746 /nfs/dbraw/zinc/95/37/46/1069953746.db2.gz LFAVUUNOZFPAIO-AWEZNQCLSA-N 0 0 454.557 -0.433 20 0 JBADRN CCc1nn(C)c(OC)c1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O ZINC001292777684 1069953727 /nfs/dbraw/zinc/95/37/27/1069953727.db2.gz LFAVUUNOZFPAIO-CQSZACIVSA-N 0 0 454.557 -0.433 20 0 JBADRN Cc1c(C(=O)NCCN2CCS(=O)(=O)CC2)cc(Br)cc1S(N)(=O)=O ZINC001292816711 1069953798 /nfs/dbraw/zinc/95/37/98/1069953798.db2.gz OAXHYQFQSHHPNC-UHFFFAOYSA-N 0 0 454.368 -0.135 20 0 JBADRN C[C@H](NC(=O)c1ccc(Br)cc1-n1cnnn1)C(=O)N1CCS(=O)(=O)CC1 ZINC001292829789 1069953565 /nfs/dbraw/zinc/95/35/65/1069953565.db2.gz RUOIXOYBHUEDRT-JTQLQIEISA-N 0 0 457.310 -0.200 20 0 JBADRN C[C@@H](NC(=O)c1ccc(Br)cc1-n1cnnn1)C(=O)N1CCS(=O)(=O)CC1 ZINC001292829790 1069953595 /nfs/dbraw/zinc/95/35/95/1069953595.db2.gz RUOIXOYBHUEDRT-SNVBAGLBSA-N 0 0 457.310 -0.200 20 0 JBADRN C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC001292829825 1069953813 /nfs/dbraw/zinc/95/38/13/1069953813.db2.gz SXMWHZFNDXBGOQ-LLVKDONJSA-N 0 0 453.489 -0.605 20 0 JBADRN C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC001292829826 1069953792 /nfs/dbraw/zinc/95/37/92/1069953792.db2.gz SXMWHZFNDXBGOQ-NSHDSACASA-N 0 0 453.489 -0.605 20 0 JBADRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(=O)NCCN1CCOCC1 ZINC001292870663 1069953517 /nfs/dbraw/zinc/95/35/17/1069953517.db2.gz BSMKBKKZXOOISN-UHFFFAOYSA-N 0 0 454.549 -0.806 20 0 JBADRN COc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cc1S(=O)(=O)NC(C)(C)C ZINC001292870805 1069953527 /nfs/dbraw/zinc/95/35/27/1069953527.db2.gz FBNMVFJXBIEMNP-UHFFFAOYSA-N 0 0 456.565 -0.050 20 0 JBADRN O=C(CNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCN1CCOCC1 ZINC001292871205 1069953492 /nfs/dbraw/zinc/95/34/92/1069953492.db2.gz LHRWNRPTEJCCTB-UHFFFAOYSA-N 0 0 452.455 -0.452 20 0 JBADRN O=C(CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)NCCN1CCOCC1 ZINC001292871271 1069953688 /nfs/dbraw/zinc/95/36/88/1069953688.db2.gz LPQKQLXIFCUQTQ-UHFFFAOYSA-N 0 0 453.293 -0.390 20 0 JBADRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCC(=O)NCCN1CCOCC1 ZINC001292871289 1069953754 /nfs/dbraw/zinc/95/37/54/1069953754.db2.gz LSBRBQATYUIOSI-UHFFFAOYSA-N 0 0 452.577 -0.032 20 0 JBADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCC(=O)NCCN1CCOCC1 ZINC001292871746 1069953711 /nfs/dbraw/zinc/95/37/11/1069953711.db2.gz PGBWEBOLCAPIKG-INIZCTEOSA-N 0 0 455.556 -0.543 20 0 JBADRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCC(=O)NCCN1CCOCC1 ZINC001292871748 1069953673 /nfs/dbraw/zinc/95/36/73/1069953673.db2.gz PGBWEBOLCAPIKG-MRXNPFEDSA-N 0 0 455.556 -0.543 20 0 JBADRN O=C(CNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)NCCN1CCOCC1 ZINC001292872202 1069954359 /nfs/dbraw/zinc/95/43/59/1069954359.db2.gz TZKQSAUKOZYXDD-UHFFFAOYSA-N 0 0 453.348 -0.164 20 0 JBADRN O=C(CNC(=O)Cn1cnc2ccc(Br)cc2c1=O)NCCN1CCOCC1 ZINC001292873059 1069954531 /nfs/dbraw/zinc/95/45/31/1069954531.db2.gz XTMVEKGBNXFYGI-UHFFFAOYSA-N 0 0 452.309 -0.276 20 0 JBADRN CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCC(=O)NCCN2CCOCC2)C1=O ZINC001292873710 1069954420 /nfs/dbraw/zinc/95/44/20/1069954420.db2.gz UXUDFGRBTYUWFR-INIZCTEOSA-N 0 0 455.556 -0.686 20 0 JBADRN CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCC(=O)NCCN2CCOCC2)C1=O ZINC001292873711 1069954702 /nfs/dbraw/zinc/95/47/02/1069954702.db2.gz UXUDFGRBTYUWFR-MRXNPFEDSA-N 0 0 455.556 -0.686 20 0 JBADRN CCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001292892748 1069954377 /nfs/dbraw/zinc/95/43/77/1069954377.db2.gz HHVIJWCNUKGBJH-KNBMTAEXSA-N 0 0 454.597 -0.621 20 0 JBADRN CCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001292892749 1069954569 /nfs/dbraw/zinc/95/45/69/1069954569.db2.gz HHVIJWCNUKGBJH-RIFZZMRRSA-N 0 0 454.597 -0.621 20 0 JBADRN CCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001292892750 1069954581 /nfs/dbraw/zinc/95/45/81/1069954581.db2.gz HHVIJWCNUKGBJH-VPWXQRGCSA-N 0 0 454.597 -0.621 20 0 JBADRN CCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001292892751 1069954338 /nfs/dbraw/zinc/95/43/38/1069954338.db2.gz HHVIJWCNUKGBJH-XAUMDUMWSA-N 0 0 454.597 -0.621 20 0 JBADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCO1 ZINC001292911268 1069954386 /nfs/dbraw/zinc/95/43/86/1069954386.db2.gz VNVQSZJSSZZZAZ-INIZCTEOSA-N 0 0 457.480 -0.308 20 0 JBADRN COC(=O)[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCO1 ZINC001292911269 1069954689 /nfs/dbraw/zinc/95/46/89/1069954689.db2.gz VNVQSZJSSZZZAZ-MRXNPFEDSA-N 0 0 457.480 -0.308 20 0 JBADRN Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001292912081 1069954294 /nfs/dbraw/zinc/95/42/94/1069954294.db2.gz DVLMJAXERLZYDE-UHFFFAOYSA-N 0 0 451.593 -0.047 20 0 JBADRN CN(C(=O)CNS(=O)(=O)c1cccs1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001292912340 1069954270 /nfs/dbraw/zinc/95/42/70/1069954270.db2.gz IZNKAOGSXOXZDB-UHFFFAOYSA-N 0 0 457.622 -0.277 20 0 JBADRN CCS(=O)(=O)N1CCC(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC001292912414 1069954436 /nfs/dbraw/zinc/95/44/36/1069954436.db2.gz LFOPZHHPXYPZET-UHFFFAOYSA-N 0 0 457.641 -0.255 20 0 JBADRN CN(C(=O)c1ccc(CS(N)(=O)=O)cc1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001292912730 1069954668 /nfs/dbraw/zinc/95/46/68/1069954668.db2.gz PDTJEAINIGJXFJ-UHFFFAOYSA-N 0 0 451.593 -0.215 20 0 JBADRN CN(C)C(=O)CN1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001292920871 1069954642 /nfs/dbraw/zinc/95/46/42/1069954642.db2.gz QCGUANYNQOYMCL-UHFFFAOYSA-N 0 0 453.565 -0.547 20 0 JBADRN Cc1cnc(S(C)(=O)=O)nc1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001292921069 1069954457 /nfs/dbraw/zinc/95/44/57/1069954457.db2.gz VBGSVKHEOQTHOH-UHFFFAOYSA-N 0 0 452.581 -0.501 20 0 JBADRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001292929123 1069954551 /nfs/dbraw/zinc/95/45/51/1069954551.db2.gz DLTLSHIBWVKJEC-UHFFFAOYSA-N 0 0 459.613 -0.586 20 0 JBADRN COCCN(CC(=O)N(C)C)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001292958339 1069954404 /nfs/dbraw/zinc/95/44/04/1069954404.db2.gz JJMQLRBAZAPPGS-UHFFFAOYSA-N 0 0 457.549 -0.178 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001292985850 1069955242 /nfs/dbraw/zinc/95/52/42/1069955242.db2.gz IMFUBJMURJLYHW-UHFFFAOYSA-N 0 0 454.549 -0.390 20 0 JBADRN CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001292986944 1069955223 /nfs/dbraw/zinc/95/52/23/1069955223.db2.gz PQJGTAWEOMZGLZ-UHFFFAOYSA-N 0 0 466.655 -0.263 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cnn(C[C@@H](O)CO)c3)CC2)cc1 ZINC001293002212 1069955103 /nfs/dbraw/zinc/95/51/03/1069955103.db2.gz GDJCHABIUXLFEU-GOSISDBHSA-N 0 0 451.549 -0.719 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cnn(C[C@H](O)CO)c3)CC2)cc1 ZINC001293002213 1069955285 /nfs/dbraw/zinc/95/52/85/1069955285.db2.gz GDJCHABIUXLFEU-SFHVURJKSA-N 0 0 451.549 -0.719 20 0 JBADRN CN1CCN(C(=O)N2CCN(C(=O)c3cn(CCNC(=O)OC(C)(C)C)nn3)CC2)CC1 ZINC001293002259 1069955210 /nfs/dbraw/zinc/95/52/10/1069955210.db2.gz IDHKOATUJRGXSD-UHFFFAOYSA-N 0 0 450.544 -0.072 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)CN(C)CC(=O)NC(C)C)CC2)cc1 ZINC001293002467 1069955198 /nfs/dbraw/zinc/95/51/98/1069955198.db2.gz JBKYYOMVYVCKPN-UHFFFAOYSA-N 0 0 453.609 -0.126 20 0 JBADRN CN1CCN(C(=O)N2CCN(C(=O)[C@@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001293003061 1069955125 /nfs/dbraw/zinc/95/51/25/1069955125.db2.gz VKRXMOOLRNHIJY-INIZCTEOSA-N 0 0 452.556 -0.424 20 0 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CCOC(=O)c1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)nc1C ZINC001293907268 1069965589 /nfs/dbraw/zinc/96/55/89/1069965589.db2.gz XLARMAITOZYJBV-HNNXBMFYSA-N 0 0 452.533 -0.372 20 0 JBADRN CCOC(=O)c1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)nc1C ZINC001293907269 1069965490 /nfs/dbraw/zinc/96/54/90/1069965490.db2.gz XLARMAITOZYJBV-OAHLLOKOSA-N 0 0 452.533 -0.372 20 0 JBADRN O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)N1CCN(CCn2cncn2)CC1 ZINC001293931902 1069965383 /nfs/dbraw/zinc/96/53/83/1069965383.db2.gz DJORPCOQTNWKEV-AEFFLSMTSA-N 0 0 452.512 -0.615 20 0 JBADRN CCC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)OC ZINC001293953187 1069965579 /nfs/dbraw/zinc/96/55/79/1069965579.db2.gz REXMFPZQWCHEPL-CABCVRRESA-N 0 0 456.507 -0.113 20 0 JBADRN CCC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)OC ZINC001293953188 1069965423 /nfs/dbraw/zinc/96/54/23/1069965423.db2.gz REXMFPZQWCHEPL-GJZGRUSLSA-N 0 0 456.507 -0.113 20 0 JBADRN 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JBADRN CCN1C(=O)[C@@H]2CN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCSCCCO)CCN2C1=O ZINC001295895762 1069989724 /nfs/dbraw/zinc/98/97/24/1069989724.db2.gz SLFMUNRZZKQIGZ-CABCVRRESA-N 0 0 486.620 -0.232 20 0 JBADRN CCN1C(=O)[C@@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCSCCCO)CCN2C1=O ZINC001295895763 1069989578 /nfs/dbraw/zinc/98/95/78/1069989578.db2.gz SLFMUNRZZKQIGZ-GJZGRUSLSA-N 0 0 486.620 -0.232 20 0 JBADRN CCN1C(=O)[C@H]2CN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCSCCCO)CCN2C1=O ZINC001295895764 1069989620 /nfs/dbraw/zinc/98/96/20/1069989620.db2.gz SLFMUNRZZKQIGZ-HUUCEWRRSA-N 0 0 486.620 -0.232 20 0 JBADRN CCN1C(=O)[C@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCSCCCO)CCN2C1=O ZINC001295895765 1069990142 /nfs/dbraw/zinc/99/01/42/1069990142.db2.gz SLFMUNRZZKQIGZ-LSDHHAIUSA-N 0 0 486.620 -0.232 20 0 JBADRN CCN1C(=O)[C@@H]2CN(c3nnc(Cc4cccnc4)n3CCCNS(C)(=O)=O)CCN2C1=O ZINC001295895773 1069990193 /nfs/dbraw/zinc/99/01/93/1069990193.db2.gz STTOTGPKFGVRMF-INIZCTEOSA-N 0 0 476.563 -0.324 20 0 JBADRN 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CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C(=O)NC)cn1 ZINC001295929453 1069990805 /nfs/dbraw/zinc/99/08/05/1069990805.db2.gz XUSLGMFHOSQDAB-GOEBONIOSA-N 0 0 468.584 -0.306 20 0 JBADRN CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C(=O)NC)cn1 ZINC001295929454 1069990774 /nfs/dbraw/zinc/99/07/74/1069990774.db2.gz XUSLGMFHOSQDAB-HOCLYGCPSA-N 0 0 468.584 -0.306 20 0 JBADRN CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C(=O)NC)cn1 ZINC001295929455 1069990721 /nfs/dbraw/zinc/99/07/21/1069990721.db2.gz XUSLGMFHOSQDAB-ZBFHGGJFSA-N 0 0 468.584 -0.306 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c1=O ZINC001295937863 1069990712 /nfs/dbraw/zinc/99/07/12/1069990712.db2.gz BPDKDDFRTBRTBT-DZGCQCFKSA-N 0 0 472.593 -0.259 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c1=O ZINC001295937864 1069990692 /nfs/dbraw/zinc/99/06/92/1069990692.db2.gz BPDKDDFRTBRTBT-HIFRSBDPSA-N 0 0 472.593 -0.259 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c1=O ZINC001295937865 1069990800 /nfs/dbraw/zinc/99/08/00/1069990800.db2.gz BPDKDDFRTBRTBT-UKRRQHHQSA-N 0 0 472.593 -0.259 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c1=O ZINC001295937866 1069990848 /nfs/dbraw/zinc/99/08/48/1069990848.db2.gz BPDKDDFRTBRTBT-ZFWWWQNUSA-N 0 0 472.593 -0.259 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)c1=O ZINC001295939305 1069990738 /nfs/dbraw/zinc/99/07/38/1069990738.db2.gz VYMHGZPTDKHWEL-KBPBESRZSA-N 0 0 451.553 -0.215 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)c1=O ZINC001295939306 1069990653 /nfs/dbraw/zinc/99/06/53/1069990653.db2.gz VYMHGZPTDKHWEL-KGLIPLIRSA-N 0 0 451.553 -0.215 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)c1=O ZINC001295939307 1069990810 /nfs/dbraw/zinc/99/08/10/1069990810.db2.gz VYMHGZPTDKHWEL-UONOGXRCSA-N 0 0 451.553 -0.215 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)c1=O ZINC001295939308 1069990750 /nfs/dbraw/zinc/99/07/50/1069990750.db2.gz VYMHGZPTDKHWEL-ZIAGYGMSSA-N 0 0 451.553 -0.215 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@@H]2C)c1=O ZINC001295942451 1069990833 /nfs/dbraw/zinc/99/08/33/1069990833.db2.gz GPBUPJWBGZLEOW-DOTOQJQBSA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@H]2C)c1=O ZINC001295942460 1069990789 /nfs/dbraw/zinc/99/07/89/1069990789.db2.gz GPBUPJWBGZLEOW-NVXWUHKLSA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@@H]2C)c1=O ZINC001295942462 1069991359 /nfs/dbraw/zinc/99/13/59/1069991359.db2.gz GPBUPJWBGZLEOW-RDJZCZTQSA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@H]2C)c1=O ZINC001295942464 1069991464 /nfs/dbraw/zinc/99/14/64/1069991464.db2.gz GPBUPJWBGZLEOW-WBVHZDCISA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)c1=O ZINC001295942553 1069991203 /nfs/dbraw/zinc/99/12/03/1069991203.db2.gz HTYYPHQYRVYKLH-CVEARBPZSA-N 0 0 464.548 -0.639 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)c1=O ZINC001295942556 1069991419 /nfs/dbraw/zinc/99/14/19/1069991419.db2.gz HTYYPHQYRVYKLH-HOTGVXAUSA-N 0 0 464.548 -0.639 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)c1=O ZINC001295942560 1069991397 /nfs/dbraw/zinc/99/13/97/1069991397.db2.gz HTYYPHQYRVYKLH-HZPDHXFCSA-N 0 0 464.548 -0.639 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)c1=O ZINC001295942563 1069991472 /nfs/dbraw/zinc/99/14/72/1069991472.db2.gz HTYYPHQYRVYKLH-JKSUJKDBSA-N 0 0 464.548 -0.639 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)c1=O ZINC001295943350 1069991453 /nfs/dbraw/zinc/99/14/53/1069991453.db2.gz MQLTWCOSRWFHIX-INIZCTEOSA-N 0 0 463.564 -0.069 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)c1=O ZINC001295943352 1069991305 /nfs/dbraw/zinc/99/13/05/1069991305.db2.gz MQLTWCOSRWFHIX-MRXNPFEDSA-N 0 0 463.564 -0.069 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1=O ZINC001295943967 1069991220 /nfs/dbraw/zinc/99/12/20/1069991220.db2.gz RTIWEJHMWQQISO-DOTOQJQBSA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)C[C@H]2C)c1=O ZINC001295943968 1069991407 /nfs/dbraw/zinc/99/14/07/1069991407.db2.gz RTIWEJHMWQQISO-NVXWUHKLSA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1=O ZINC001295943969 1069991375 /nfs/dbraw/zinc/99/13/75/1069991375.db2.gz RTIWEJHMWQQISO-RDJZCZTQSA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)C[C@H]2C)c1=O ZINC001295943970 1069991346 /nfs/dbraw/zinc/99/13/46/1069991346.db2.gz RTIWEJHMWQQISO-WBVHZDCISA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCCC(=O)NC)c1=O ZINC001295944460 1069991431 /nfs/dbraw/zinc/99/14/31/1069991431.db2.gz WPOCEWCKRMAGEN-KRWDZBQOSA-N 0 0 495.606 -0.197 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCCC(=O)NC)c1=O ZINC001295944462 1069991316 /nfs/dbraw/zinc/99/13/16/1069991316.db2.gz WPOCEWCKRMAGEN-QGZVFWFLSA-N 0 0 495.606 -0.197 20 0 JBADRN CCn1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)CCNS(C)(=O)=O)c1=O ZINC001295950588 1069991331 /nfs/dbraw/zinc/99/13/31/1069991331.db2.gz LIOJFWZGQRQPEO-UHFFFAOYSA-N 0 0 451.553 -0.384 20 0 JBADRN CCn1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)COC)CC2)c1=O ZINC001295951443 1069991244 /nfs/dbraw/zinc/99/12/44/1069991244.db2.gz SJOPRYZJIXOGEN-UHFFFAOYSA-N 0 0 457.535 -0.075 20 0 JBADRN CCn1cnnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001295954668 1069991265 /nfs/dbraw/zinc/99/12/65/1069991265.db2.gz DFFRWBAMNFALJN-AWEZNQCLSA-N 0 0 465.584 -0.003 20 0 JBADRN CCn1cnnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001295954669 1069991384 /nfs/dbraw/zinc/99/13/84/1069991384.db2.gz DFFRWBAMNFALJN-CQSZACIVSA-N 0 0 465.584 -0.003 20 0 JBADRN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001295954831 1069991285 /nfs/dbraw/zinc/99/12/85/1069991285.db2.gz FYLUVHIDPDHODE-HNNXBMFYSA-N 0 0 458.571 -0.135 20 0 JBADRN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001295954833 1069991442 /nfs/dbraw/zinc/99/14/42/1069991442.db2.gz FYLUVHIDPDHODE-OAHLLOKOSA-N 0 0 458.571 -0.135 20 0 JBADRN CCn1cnnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001295956127 1069991790 /nfs/dbraw/zinc/99/17/90/1069991790.db2.gz WBDKEADYYKBGDP-HZSPNIEDSA-N 0 0 451.557 -0.395 20 0 JBADRN CCn1cnnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001295956138 1069991937 /nfs/dbraw/zinc/99/19/37/1069991937.db2.gz WBDKEADYYKBGDP-MELADBBJSA-N 0 0 451.557 -0.395 20 0 JBADRN CCn1cnnc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001295958432 1069992042 /nfs/dbraw/zinc/99/20/42/1069992042.db2.gz YCHBMOPYMURULY-UHFFFAOYSA-N 0 0 451.557 -0.308 20 0 JBADRN CCn1cnnc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001295961291 1069991950 /nfs/dbraw/zinc/99/19/50/1069991950.db2.gz XNLFYINZKIAEMU-GJZGRUSLSA-N 0 0 465.584 -0.003 20 0 JBADRN CCn1cnnc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001295961292 1069992033 /nfs/dbraw/zinc/99/20/33/1069992033.db2.gz XNLFYINZKIAEMU-HUUCEWRRSA-N 0 0 465.584 -0.003 20 0 JBADRN CCn1cnnc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001295961293 1069991863 /nfs/dbraw/zinc/99/18/63/1069991863.db2.gz XNLFYINZKIAEMU-LSDHHAIUSA-N 0 0 465.584 -0.003 20 0 JBADRN CCn1cnnc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001295967269 1069991801 /nfs/dbraw/zinc/99/18/01/1069991801.db2.gz NWALRRZJGACEEG-HNNXBMFYSA-N 0 0 465.584 -0.174 20 0 JBADRN CCn1cnnc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001295967277 1069991812 /nfs/dbraw/zinc/99/18/12/1069991812.db2.gz NWALRRZJGACEEG-OAHLLOKOSA-N 0 0 465.584 -0.174 20 0 JBADRN COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001295984831 1069991836 /nfs/dbraw/zinc/99/18/36/1069991836.db2.gz MLBKXWUPHYGASY-HNNXBMFYSA-N 0 0 452.489 -0.047 20 0 JBADRN CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001295995695 1069991819 /nfs/dbraw/zinc/99/18/19/1069991819.db2.gz JICRJQKWEFMBBS-GGXPGOJBSA-N 0 0 475.637 -0.351 20 0 JBADRN CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001295995706 1069991772 /nfs/dbraw/zinc/99/17/72/1069991772.db2.gz JICRJQKWEFMBBS-OLMMMNRUSA-N 0 0 475.637 -0.351 20 0 JBADRN CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001295995709 1069992028 /nfs/dbraw/zinc/99/20/28/1069992028.db2.gz JICRJQKWEFMBBS-YIOZNXECSA-N 0 0 475.637 -0.351 20 0 JBADRN CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001295995713 1069991957 /nfs/dbraw/zinc/99/19/57/1069991957.db2.gz JICRJQKWEFMBBS-YYAJDYIMSA-N 0 0 475.637 -0.351 20 0 JBADRN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC001296004275 1069991922 /nfs/dbraw/zinc/99/19/22/1069991922.db2.gz RXQGOFROEKFLMJ-UHFFFAOYSA-N 0 0 451.480 -0.223 20 0 JBADRN Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC001296036964 1069992544 /nfs/dbraw/zinc/99/25/44/1069992544.db2.gz RODIRAYMPSVUEP-UHFFFAOYSA-N 0 0 456.550 -0.581 20 0 JBADRN CCN1CCCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001296087923 1069994480 /nfs/dbraw/zinc/99/44/80/1069994480.db2.gz OZIUHBUBZKEEDR-DLBZAZTESA-N 0 0 490.652 -0.280 20 0 JBADRN CCN1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001296087924 1069994441 /nfs/dbraw/zinc/99/44/41/1069994441.db2.gz OZIUHBUBZKEEDR-IAGOWNOFSA-N 0 0 490.652 -0.280 20 0 JBADRN CCN1CCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001296087925 1069994329 /nfs/dbraw/zinc/99/43/29/1069994329.db2.gz OZIUHBUBZKEEDR-IRXDYDNUSA-N 0 0 490.652 -0.280 20 0 JBADRN CCN1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001296087926 1069994386 /nfs/dbraw/zinc/99/43/86/1069994386.db2.gz OZIUHBUBZKEEDR-SJORKVTESA-N 0 0 490.652 -0.280 20 0 JBADRN CCN1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)N(C)C)CC1=O ZINC001296095533 1069994311 /nfs/dbraw/zinc/99/43/11/1069994311.db2.gz IDDXQMYVUSLJSW-UHFFFAOYSA-N 0 0 464.552 -0.125 20 0 JBADRN CCN1CCCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001296097760 1069994460 /nfs/dbraw/zinc/99/44/60/1069994460.db2.gz YDHODNGZMCOVFG-UHFFFAOYSA-N 0 0 456.569 -0.585 20 0 JBADRN CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1=O ZINC001296100072 1069994494 /nfs/dbraw/zinc/99/44/94/1069994494.db2.gz CNQLMUCEOUXBHF-JLTOFOAXSA-N 0 0 467.596 -0.042 20 0 JBADRN CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1=O ZINC001296100073 1069994322 /nfs/dbraw/zinc/99/43/22/1069994322.db2.gz CNQLMUCEOUXBHF-VBKZILBWSA-N 0 0 467.596 -0.042 20 0 JBADRN CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C3CC3)C2=O)CC1=O ZINC001296100074 1069994354 /nfs/dbraw/zinc/99/43/54/1069994354.db2.gz CNQLMUCEOUXBHF-VLIAUNLRSA-N 0 0 467.596 -0.042 20 0 JBADRN CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C3CC3)C2=O)CC1=O ZINC001296100075 1069994432 /nfs/dbraw/zinc/99/44/32/1069994432.db2.gz CNQLMUCEOUXBHF-XOBRGWDASA-N 0 0 467.596 -0.042 20 0 JBADRN CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCS(C)(=O)=O)CC1=O ZINC001296101002 1069994455 /nfs/dbraw/zinc/99/44/55/1069994455.db2.gz NSAZHEMRPFVFMQ-CYBMUJFWSA-N 0 0 450.587 -0.618 20 0 JBADRN CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCS(C)(=O)=O)CC1=O ZINC001296101003 1069994339 /nfs/dbraw/zinc/99/43/39/1069994339.db2.gz NSAZHEMRPFVFMQ-ZDUSSCGKSA-N 0 0 450.587 -0.618 20 0 JBADRN CCN1CCCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)NC)CC1=O ZINC001296108893 1069994525 /nfs/dbraw/zinc/99/45/25/1069994525.db2.gz SMJWHZRTWKUWDN-UHFFFAOYSA-N 0 0 453.525 -0.386 20 0 JBADRN CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CC1=O ZINC001296109941 1069994472 /nfs/dbraw/zinc/99/44/72/1069994472.db2.gz BRSBYYHUVVEVCQ-AWEZNQCLSA-N 0 0 459.594 -0.184 20 0 JBADRN CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CC1=O ZINC001296109944 1069994404 /nfs/dbraw/zinc/99/44/04/1069994404.db2.gz BRSBYYHUVVEVCQ-CQSZACIVSA-N 0 0 459.594 -0.184 20 0 JBADRN CCN1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2COCCO2)CC1=O ZINC001296110322 1069994346 /nfs/dbraw/zinc/99/43/46/1069994346.db2.gz LOFGHONUQLPIKP-DLBZAZTESA-N 0 0 486.595 -0.525 20 0 JBADRN CCN1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2COCCO2)CC1=O ZINC001296110324 1069995192 /nfs/dbraw/zinc/99/51/92/1069995192.db2.gz LOFGHONUQLPIKP-IAGOWNOFSA-N 0 0 486.595 -0.525 20 0 JBADRN 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CCNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001296316010 1070012492 /nfs/dbraw/zinc/01/24/92/1070012492.db2.gz XTQYHOTVJHLTST-MRXNPFEDSA-N 0 0 488.636 -0.144 20 0 JBADRN CCNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001296316022 1070012506 /nfs/dbraw/zinc/01/25/06/1070012506.db2.gz XYPMZVALRCGKQL-INIZCTEOSA-N 0 0 470.596 -0.037 20 0 JBADRN CCNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001296316024 1070012626 /nfs/dbraw/zinc/01/26/26/1070012626.db2.gz XYPMZVALRCGKQL-MRXNPFEDSA-N 0 0 470.596 -0.037 20 0 JBADRN CCNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001296321395 1070012521 /nfs/dbraw/zinc/01/25/21/1070012521.db2.gz YVCJLTXXTVKEKR-MRXNPFEDSA-N 0 0 482.611 -0.324 20 0 JBADRN Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cn1 ZINC001296322480 1070012543 /nfs/dbraw/zinc/01/25/43/1070012543.db2.gz CTRIWVJSJIMJCM-ADKRDUOOSA-N 0 0 455.562 -0.275 20 0 JBADRN Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cn1 ZINC001296322481 1070012607 /nfs/dbraw/zinc/01/26/07/1070012607.db2.gz CTRIWVJSJIMJCM-CQGGRAHPSA-N 0 0 455.562 -0.275 20 0 JBADRN Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cn1 ZINC001296322482 1070012728 /nfs/dbraw/zinc/01/27/28/1070012728.db2.gz CTRIWVJSJIMJCM-JWRCQZCYSA-N 0 0 455.562 -0.275 20 0 JBADRN Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cn1 ZINC001296322483 1070012567 /nfs/dbraw/zinc/01/25/67/1070012567.db2.gz CTRIWVJSJIMJCM-SFNQZPIRSA-N 0 0 455.562 -0.275 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCSC2)C1 ZINC001296324379 1070012677 /nfs/dbraw/zinc/01/26/77/1070012677.db2.gz ACNAGLCCWCDQJK-KBXCAEBGSA-N 0 0 458.610 -0.100 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCSC2)C1 ZINC001296324383 1070012584 /nfs/dbraw/zinc/01/25/84/1070012584.db2.gz ACNAGLCCWCDQJK-KDOFPFPSSA-N 0 0 458.610 -0.100 20 0 JBADRN 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CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C1 ZINC001296324540 1070012643 /nfs/dbraw/zinc/01/26/43/1070012643.db2.gz AKJPCKDSMORSQT-YJBOKZPZSA-N 0 0 479.625 -0.119 20 0 JBADRN CCNC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001296324588 1070012705 /nfs/dbraw/zinc/01/27/05/1070012705.db2.gz CJIFPKGVGHTTLC-OAHLLOKOSA-N 0 0 456.569 -0.079 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nncn2C)C1 ZINC001296324893 1070012824 /nfs/dbraw/zinc/01/28/24/1070012824.db2.gz DNKASBNBHFNQSA-AWEZNQCLSA-N 0 0 453.573 -0.109 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nncn2C)C1 ZINC001296324894 1070012746 /nfs/dbraw/zinc/01/27/46/1070012746.db2.gz DNKASBNBHFNQSA-CQSZACIVSA-N 0 0 453.573 -0.109 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001296324938 1070013545 /nfs/dbraw/zinc/01/35/45/1070013545.db2.gz GGEYHOXCBPUQQP-CVEARBPZSA-N 0 0 488.636 -0.143 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001296324939 1070013226 /nfs/dbraw/zinc/01/32/26/1070013226.db2.gz GGEYHOXCBPUQQP-HOTGVXAUSA-N 0 0 488.636 -0.143 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001296324940 1070013401 /nfs/dbraw/zinc/01/34/01/1070013401.db2.gz GGEYHOXCBPUQQP-HZPDHXFCSA-N 0 0 488.636 -0.143 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001296324941 1070013672 /nfs/dbraw/zinc/01/36/72/1070013672.db2.gz GGEYHOXCBPUQQP-JKSUJKDBSA-N 0 0 488.636 -0.143 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001296325080 1070013721 /nfs/dbraw/zinc/01/37/21/1070013721.db2.gz GWLHVYYMMHHXAY-KBPBESRZSA-N 0 0 455.585 -0.151 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001296325084 1070013492 /nfs/dbraw/zinc/01/34/92/1070013492.db2.gz GWLHVYYMMHHXAY-KGLIPLIRSA-N 0 0 455.585 -0.151 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001296325086 1070013474 /nfs/dbraw/zinc/01/34/74/1070013474.db2.gz GWLHVYYMMHHXAY-UONOGXRCSA-N 0 0 455.585 -0.151 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001296325088 1070013209 /nfs/dbraw/zinc/01/32/09/1070013209.db2.gz GWLHVYYMMHHXAY-ZIAGYGMSSA-N 0 0 455.585 -0.151 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C(C)C)C1 ZINC001296326988 1070013424 /nfs/dbraw/zinc/01/34/24/1070013424.db2.gz TZWAYRDKGSWHMF-HNNXBMFYSA-N 0 0 455.585 -0.196 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C(C)C)C1 ZINC001296326989 1070013635 /nfs/dbraw/zinc/01/36/35/1070013635.db2.gz TZWAYRDKGSWHMF-OAHLLOKOSA-N 0 0 455.585 -0.196 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001296327010 1070013521 /nfs/dbraw/zinc/01/35/21/1070013521.db2.gz UVJKAGONPYAMKM-CABCVRRESA-N 0 0 474.609 -0.533 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001296327011 1070013248 /nfs/dbraw/zinc/01/32/48/1070013248.db2.gz UVJKAGONPYAMKM-GJZGRUSLSA-N 0 0 474.609 -0.533 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001296327012 1070013448 /nfs/dbraw/zinc/01/34/48/1070013448.db2.gz UVJKAGONPYAMKM-HUUCEWRRSA-N 0 0 474.609 -0.533 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001296327013 1070013654 /nfs/dbraw/zinc/01/36/54/1070013654.db2.gz UVJKAGONPYAMKM-LSDHHAIUSA-N 0 0 474.609 -0.533 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001296335414 1070014569 /nfs/dbraw/zinc/01/45/69/1070014569.db2.gz GLJVFOGPFGNYJW-KRWDZBQOSA-N 0 0 477.595 -0.583 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001296335415 1070014131 /nfs/dbraw/zinc/01/41/31/1070014131.db2.gz GLJVFOGPFGNYJW-QGZVFWFLSA-N 0 0 477.595 -0.583 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)C1 ZINC001296335584 1070014366 /nfs/dbraw/zinc/01/43/66/1070014366.db2.gz BHIGQKBRMFEDII-CABCVRRESA-N 0 0 453.569 -0.194 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)C1 ZINC001296335586 1070014181 /nfs/dbraw/zinc/01/41/81/1070014181.db2.gz BHIGQKBRMFEDII-GJZGRUSLSA-N 0 0 453.569 -0.194 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)C1 ZINC001296335588 1070013994 /nfs/dbraw/zinc/01/39/94/1070013994.db2.gz BHIGQKBRMFEDII-HUUCEWRRSA-N 0 0 453.569 -0.194 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)C1 ZINC001296335591 1070013967 /nfs/dbraw/zinc/01/39/67/1070013967.db2.gz BHIGQKBRMFEDII-LSDHHAIUSA-N 0 0 453.569 -0.194 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001296335600 1070014408 /nfs/dbraw/zinc/01/44/08/1070014408.db2.gz BMNUSIXVIVPZAK-CABCVRRESA-N 0 0 464.614 -0.419 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001296335612 1070014012 /nfs/dbraw/zinc/01/40/12/1070014012.db2.gz BMNUSIXVIVPZAK-GJZGRUSLSA-N 0 0 464.614 -0.419 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001296335615 1070014031 /nfs/dbraw/zinc/01/40/31/1070014031.db2.gz BMNUSIXVIVPZAK-HUUCEWRRSA-N 0 0 464.614 -0.419 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001296335619 1070014386 /nfs/dbraw/zinc/01/43/86/1070014386.db2.gz BMNUSIXVIVPZAK-LSDHHAIUSA-N 0 0 464.614 -0.419 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001296336580 1070014472 /nfs/dbraw/zinc/01/44/72/1070014472.db2.gz KQWAXHAXJXQTOM-GOSISDBHSA-N 0 0 478.623 -0.034 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001296336583 1070014335 /nfs/dbraw/zinc/01/43/35/1070014335.db2.gz KQWAXHAXJXQTOM-SFHVURJKSA-N 0 0 478.623 -0.034 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001296338094 1070014303 /nfs/dbraw/zinc/01/43/03/1070014303.db2.gz IGNSMVNQIFVCNV-GOSISDBHSA-N 0 0 496.638 -0.917 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001296338095 1070014086 /nfs/dbraw/zinc/01/40/86/1070014086.db2.gz IGNSMVNQIFVCNV-SFHVURJKSA-N 0 0 496.638 -0.917 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001296338102 1070014954 /nfs/dbraw/zinc/01/49/54/1070014954.db2.gz ILXGRWLYHUWVCJ-CABCVRRESA-N 0 0 467.596 -0.167 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001296338103 1070015063 /nfs/dbraw/zinc/01/50/63/1070015063.db2.gz ILXGRWLYHUWVCJ-GJZGRUSLSA-N 0 0 467.596 -0.167 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001296338104 1070015100 /nfs/dbraw/zinc/01/51/00/1070015100.db2.gz ILXGRWLYHUWVCJ-HUUCEWRRSA-N 0 0 467.596 -0.167 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001296338105 1070014936 /nfs/dbraw/zinc/01/49/36/1070014936.db2.gz ILXGRWLYHUWVCJ-LSDHHAIUSA-N 0 0 467.596 -0.167 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccn(C)n2)C1 ZINC001296338973 1070015172 /nfs/dbraw/zinc/01/51/72/1070015172.db2.gz MOEZMHRURWOLLV-INIZCTEOSA-N 0 0 450.569 -0.105 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccn(C)n2)C1 ZINC001296338974 1070015213 /nfs/dbraw/zinc/01/52/13/1070015213.db2.gz MOEZMHRURWOLLV-MRXNPFEDSA-N 0 0 450.569 -0.105 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001296339787 1070015038 /nfs/dbraw/zinc/01/50/38/1070015038.db2.gz QTWFZFVXZDIQJG-FQEVSTJZSA-N 0 0 490.634 -0.054 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001296339788 1070015126 /nfs/dbraw/zinc/01/51/26/1070015126.db2.gz QTWFZFVXZDIQJG-HXUWFJFHSA-N 0 0 490.634 -0.054 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](F)COC)C1 ZINC001296339838 1070015078 /nfs/dbraw/zinc/01/50/78/1070015078.db2.gz HFGMRMRMACHLQK-KFWWJZLASA-N 0 0 498.603 -0.887 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](F)COC)C1 ZINC001296339855 1070015152 /nfs/dbraw/zinc/01/51/52/1070015152.db2.gz HFGMRMRMACHLQK-RBSFLKMASA-N 0 0 498.603 -0.887 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](F)COC)C1 ZINC001296339857 1070014974 /nfs/dbraw/zinc/01/49/74/1070014974.db2.gz HFGMRMRMACHLQK-RRFJBIMHSA-N 0 0 498.603 -0.887 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](F)COC)C1 ZINC001296339861 1070014993 /nfs/dbraw/zinc/01/49/93/1070014993.db2.gz HFGMRMRMACHLQK-ZNMIVQPWSA-N 0 0 498.603 -0.887 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOC2=O)C1 ZINC001296339994 1070015089 /nfs/dbraw/zinc/01/50/89/1070015089.db2.gz NXHRTHWYUIMLCH-KBPBESRZSA-N 0 0 455.541 -0.411 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOC2=O)C1 ZINC001296340019 1070014911 /nfs/dbraw/zinc/01/49/11/1070014911.db2.gz NXHRTHWYUIMLCH-KGLIPLIRSA-N 0 0 455.541 -0.411 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCOC2=O)C1 ZINC001296340022 1070015011 /nfs/dbraw/zinc/01/50/11/1070015011.db2.gz NXHRTHWYUIMLCH-UONOGXRCSA-N 0 0 455.541 -0.411 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCOC2=O)C1 ZINC001296340025 1070015026 /nfs/dbraw/zinc/01/50/26/1070015026.db2.gz NXHRTHWYUIMLCH-ZIAGYGMSSA-N 0 0 455.541 -0.411 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCOCC2)C1 ZINC001296340124 1070015199 /nfs/dbraw/zinc/01/51/99/1070015199.db2.gz IHTYVWFSBHKBOT-CVEARBPZSA-N 0 0 456.569 -0.451 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCOCC2)C1 ZINC001296340130 1070015159 /nfs/dbraw/zinc/01/51/59/1070015159.db2.gz IHTYVWFSBHKBOT-HOTGVXAUSA-N 0 0 456.569 -0.451 20 0 JBADRN 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CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001297785985 1070045572 /nfs/dbraw/zinc/04/55/72/1070045572.db2.gz QRJAQDQVVMLRBY-SJORKVTESA-N 0 0 490.652 -0.722 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001297786002 1070045456 /nfs/dbraw/zinc/04/54/56/1070045456.db2.gz SMOUDVCCRFBCNF-UHFFFAOYSA-N 0 0 471.609 -0.279 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001297786012 1070045601 /nfs/dbraw/zinc/04/56/01/1070045601.db2.gz SNXVDWVVFGSZKG-UHFFFAOYSA-N 0 0 490.634 -0.052 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001297786317 1070046114 /nfs/dbraw/zinc/04/61/14/1070046114.db2.gz UIAXYTJWCQGFHB-AWEZNQCLSA-N 0 0 464.614 -0.419 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001297786318 1070046003 /nfs/dbraw/zinc/04/60/03/1070046003.db2.gz UIAXYTJWCQGFHB-CQSZACIVSA-N 0 0 464.614 -0.419 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001297786419 1070046031 /nfs/dbraw/zinc/04/60/31/1070046031.db2.gz WNPBFDMTMAHBOA-AWEZNQCLSA-N 0 0 464.614 -0.419 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001297786420 1070046170 /nfs/dbraw/zinc/04/61/70/1070046170.db2.gz WNPBFDMTMAHBOA-CQSZACIVSA-N 0 0 464.614 -0.419 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001297786482 1070046089 /nfs/dbraw/zinc/04/60/89/1070046089.db2.gz YCKKWHYZAPWXAY-INIZCTEOSA-N 0 0 490.652 -0.186 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001297786483 1070045951 /nfs/dbraw/zinc/04/59/51/1070045951.db2.gz YCKKWHYZAPWXAY-MRXNPFEDSA-N 0 0 490.652 -0.186 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 ZINC001297786521 1070045969 /nfs/dbraw/zinc/04/59/69/1070045969.db2.gz YTYLDMFORWXPLG-CVEARBPZSA-N 0 0 494.640 -0.587 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001297786522 1070045917 /nfs/dbraw/zinc/04/59/17/1070045917.db2.gz YTYLDMFORWXPLG-HOTGVXAUSA-N 0 0 494.640 -0.587 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 ZINC001297786523 1070046101 /nfs/dbraw/zinc/04/61/01/1070046101.db2.gz YTYLDMFORWXPLG-HZPDHXFCSA-N 0 0 494.640 -0.587 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001297786524 1070046074 /nfs/dbraw/zinc/04/60/74/1070046074.db2.gz YTYLDMFORWXPLG-JKSUJKDBSA-N 0 0 494.640 -0.587 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001297786549 1070046153 /nfs/dbraw/zinc/04/61/53/1070046153.db2.gz ZDCLSAWHLGLHDW-DAYGRLMNSA-N 0 0 477.609 -0.496 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001297786550 1070046188 /nfs/dbraw/zinc/04/61/88/1070046188.db2.gz ZDCLSAWHLGLHDW-HDMKZQKVSA-N 0 0 477.609 -0.496 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001297786551 1070045986 /nfs/dbraw/zinc/04/59/86/1070045986.db2.gz ZDCLSAWHLGLHDW-IIDMSEBBSA-N 0 0 477.609 -0.496 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001297786552 1070045936 /nfs/dbraw/zinc/04/59/36/1070045936.db2.gz ZDCLSAWHLGLHDW-RKVPGOIHSA-N 0 0 477.609 -0.496 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001297786866 1070045881 /nfs/dbraw/zinc/04/58/81/1070045881.db2.gz CFGGWISTXWNIJW-UHFFFAOYSA-N 0 0 468.584 -0.626 20 0 JBADRN CCS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001297787035 1070046134 /nfs/dbraw/zinc/04/61/34/1070046134.db2.gz FGALNPVNRZJLIV-KRWDZBQOSA-N 0 0 475.575 -0.850 20 0 JBADRN CCS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001297787036 1070046224 /nfs/dbraw/zinc/04/62/24/1070046224.db2.gz FGALNPVNRZJLIV-QGZVFWFLSA-N 0 0 475.575 -0.850 20 0 JBADRN CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001297787073 1070046206 /nfs/dbraw/zinc/04/62/06/1070046206.db2.gz GMZXGVNDPQNKDY-KGLIPLIRSA-N 0 0 455.541 -0.726 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1 ZINC001297787261 1070046905 /nfs/dbraw/zinc/04/69/05/1070046905.db2.gz ISXRSPITHFADKQ-UHFFFAOYSA-N 0 0 453.573 -0.460 20 0 JBADRN CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001297787272 1070046943 /nfs/dbraw/zinc/04/69/43/1070046943.db2.gz ITGLMTGTWXBEBW-HNNXBMFYSA-N 0 0 453.569 -0.459 20 0 JBADRN CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001297787273 1070046685 /nfs/dbraw/zinc/04/66/85/1070046685.db2.gz ITGLMTGTWXBEBW-OAHLLOKOSA-N 0 0 453.569 -0.459 20 0 JBADRN CCS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001297787791 1070046567 /nfs/dbraw/zinc/04/65/67/1070046567.db2.gz OWTPSNGLHMXLCT-CYBMUJFWSA-N 0 0 469.593 -0.124 20 0 JBADRN CCS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001297787792 1070046673 /nfs/dbraw/zinc/04/66/73/1070046673.db2.gz OWTPSNGLHMXLCT-ZDUSSCGKSA-N 0 0 469.593 -0.124 20 0 JBADRN CCS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 ZINC001297787882 1070046960 /nfs/dbraw/zinc/04/69/60/1070046960.db2.gz ROEUBLQFTIBIPB-UHFFFAOYSA-N 0 0 460.607 -0.222 20 0 JBADRN CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001297787900 1070046627 /nfs/dbraw/zinc/04/66/27/1070046627.db2.gz RUWLEBRIINAQII-UHFFFAOYSA-N 0 0 490.590 -0.303 20 0 JBADRN CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001297788000 1070046924 /nfs/dbraw/zinc/04/69/24/1070046924.db2.gz UJFPLISHLDOFFB-UHFFFAOYSA-N 0 0 455.541 -0.581 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001297788234 1070046582 /nfs/dbraw/zinc/04/65/82/1070046582.db2.gz WTSLVWAHMFTUKC-KRWDZBQOSA-N 0 0 452.585 -0.400 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@H]2C1 ZINC001297788235 1070046828 /nfs/dbraw/zinc/04/68/28/1070046828.db2.gz WTSLVWAHMFTUKC-QGZVFWFLSA-N 0 0 452.585 -0.400 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001297790438 1070046809 /nfs/dbraw/zinc/04/68/09/1070046809.db2.gz HLPIZXAHHUAQQJ-JXFKEZNVSA-N 0 0 485.611 -0.186 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001297790439 1070046552 /nfs/dbraw/zinc/04/65/52/1070046552.db2.gz HLPIZXAHHUAQQJ-OXJNMPFZSA-N 0 0 485.611 -0.186 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001297790440 1070046659 /nfs/dbraw/zinc/04/66/59/1070046659.db2.gz HLPIZXAHHUAQQJ-OXQOHEQNSA-N 0 0 485.611 -0.186 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001297790441 1070046975 /nfs/dbraw/zinc/04/69/75/1070046975.db2.gz HLPIZXAHHUAQQJ-UZLBHIALSA-N 0 0 485.611 -0.186 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001297790601 1070046645 /nfs/dbraw/zinc/04/66/45/1070046645.db2.gz IZGLDKAXBJLKBW-CABCVRRESA-N 0 0 469.568 -0.165 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001297790602 1070046534 /nfs/dbraw/zinc/04/65/34/1070046534.db2.gz IZGLDKAXBJLKBW-HUUCEWRRSA-N 0 0 469.568 -0.165 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001297790646 1070046884 /nfs/dbraw/zinc/04/68/84/1070046884.db2.gz JWJNZKFDPFDOJN-MRXNPFEDSA-N 0 0 471.584 -0.357 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001297790781 1070046744 /nfs/dbraw/zinc/04/67/44/1070046744.db2.gz LAAGFNNKGPYOTG-QOKNQOGYSA-N 0 0 456.569 -0.342 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001297790782 1070047425 /nfs/dbraw/zinc/04/74/25/1070047425.db2.gz LAAGFNNKGPYOTG-URLQWDBASA-N 0 0 456.569 -0.342 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001297790828 1070047278 /nfs/dbraw/zinc/04/72/78/1070047278.db2.gz MMBWMKXKPFZHHQ-FXAWDEMLSA-N 0 0 472.612 -0.221 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001297790829 1070047521 /nfs/dbraw/zinc/04/75/21/1070047521.db2.gz MMBWMKXKPFZHHQ-PXNSSMCTSA-N 0 0 472.612 -0.221 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001297790830 1070047638 /nfs/dbraw/zinc/04/76/38/1070047638.db2.gz MMBWMKXKPFZHHQ-XLIONFOSSA-N 0 0 472.612 -0.221 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001297790831 1070047237 /nfs/dbraw/zinc/04/72/37/1070047237.db2.gz MMBWMKXKPFZHHQ-YLJYHZDGSA-N 0 0 472.612 -0.221 20 0 JBADRN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001297790954 1070047468 /nfs/dbraw/zinc/04/74/68/1070047468.db2.gz BIGYKYTZSWCPQF-AOAWJKDVSA-N 0 0 457.582 -0.687 20 0 JBADRN CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001297790955 1070047328 /nfs/dbraw/zinc/04/73/28/1070047328.db2.gz BIGYKYTZSWCPQF-WUTCKBNWSA-N 0 0 457.582 -0.687 20 0 JBADRN CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001297790956 1070047380 /nfs/dbraw/zinc/04/73/80/1070047380.db2.gz BIGYKYTZSWCPQF-XETJZTBLSA-N 0 0 457.582 -0.687 20 0 JBADRN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001297790957 1070047730 /nfs/dbraw/zinc/04/77/30/1070047730.db2.gz BIGYKYTZSWCPQF-ZNNHIBJESA-N 0 0 457.582 -0.687 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001297791139 1070047699 /nfs/dbraw/zinc/04/76/99/1070047699.db2.gz PUDBWXBTCRBUMM-BXWFABGCSA-N 0 0 459.569 -0.063 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001297791140 1070047718 /nfs/dbraw/zinc/04/77/18/1070047718.db2.gz PUDBWXBTCRBUMM-TXPKVOOTSA-N 0 0 459.569 -0.063 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001297791377 1070047402 /nfs/dbraw/zinc/04/74/02/1070047402.db2.gz QZLMAJPVKRZIEI-KKUMJFAQSA-N 0 0 465.598 -0.435 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001297791378 1070047687 /nfs/dbraw/zinc/04/76/87/1070047687.db2.gz QZLMAJPVKRZIEI-ZNMIVQPWSA-N 0 0 465.598 -0.435 20 0 JBADRN CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001297791385 1070047500 /nfs/dbraw/zinc/04/75/00/1070047500.db2.gz RGOOUQMEUXLJFE-JGCGQSQUSA-N 0 0 465.580 -0.790 20 0 JBADRN CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001297791386 1070047790 /nfs/dbraw/zinc/04/77/90/1070047790.db2.gz RGOOUQMEUXLJFE-YTTGMZPUSA-N 0 0 465.580 -0.790 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001297791414 1070047806 /nfs/dbraw/zinc/04/78/06/1070047806.db2.gz SBHUFDKLMUIVRX-IBGZPJMESA-N 0 0 458.585 -0.074 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001297791415 1070047357 /nfs/dbraw/zinc/04/73/57/1070047357.db2.gz SBHUFDKLMUIVRX-LJQANCHMSA-N 0 0 458.585 -0.074 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C ZINC001297791446 1070047445 /nfs/dbraw/zinc/04/74/45/1070047445.db2.gz STKQFBBBJAWHHG-UHFFFAOYSA-N 0 0 457.601 -0.312 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@H]2C1 ZINC001297791451 1070047744 /nfs/dbraw/zinc/04/77/44/1070047744.db2.gz TXTIOHVFBWKKJW-BBWFWOEESA-N 0 0 458.585 -0.538 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001297791452 1070047580 /nfs/dbraw/zinc/04/75/80/1070047580.db2.gz TXTIOHVFBWKKJW-ULQDDVLXSA-N 0 0 458.585 -0.538 20 0 JBADRN CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001297791544 1070048339 /nfs/dbraw/zinc/04/83/39/1070048339.db2.gz UTUVZMNGWSRJSU-HKBQPEDESA-N 0 0 455.585 -0.642 20 0 JBADRN CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001297791559 1070048238 /nfs/dbraw/zinc/04/82/38/1070048238.db2.gz UTUVZMNGWSRJSU-WJOKGBTCSA-N 0 0 455.585 -0.642 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001297791693 1070048012 /nfs/dbraw/zinc/04/80/12/1070048012.db2.gz VJRXBBNBCLXTMN-HUUCEWRRSA-N 0 0 464.614 -0.166 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001297791704 1070048098 /nfs/dbraw/zinc/04/80/98/1070048098.db2.gz VJRXBBNBCLXTMN-LSDHHAIUSA-N 0 0 464.614 -0.166 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001297791998 1070048162 /nfs/dbraw/zinc/04/81/62/1070048162.db2.gz XRZLGBCORFOGAT-DOXZYTNZSA-N 0 0 458.585 -0.096 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001297791999 1070048308 /nfs/dbraw/zinc/04/83/08/1070048308.db2.gz XRZLGBCORFOGAT-YZVOILCLSA-N 0 0 458.585 -0.096 20 0 JBADRN CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001297792500 1070048140 /nfs/dbraw/zinc/04/81/40/1070048140.db2.gz JQAKKUAHQBMBGF-DHMKHTPVSA-N 0 0 475.641 -0.005 20 0 JBADRN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001297792501 1070048324 /nfs/dbraw/zinc/04/83/24/1070048324.db2.gz JQAKKUAHQBMBGF-FOGNVHKLSA-N 0 0 475.641 -0.005 20 0 JBADRN CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001297792502 1070048219 /nfs/dbraw/zinc/04/82/19/1070048219.db2.gz JQAKKUAHQBMBGF-INCQDFKNSA-N 0 0 475.641 -0.005 20 0 JBADRN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001297792503 1070048040 /nfs/dbraw/zinc/04/80/40/1070048040.db2.gz JQAKKUAHQBMBGF-JGVYIQDASA-N 0 0 475.641 -0.005 20 0 JBADRN CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001297792514 1070048116 /nfs/dbraw/zinc/04/81/16/1070048116.db2.gz JVNXBQYLHBVYEE-CFJPQMKISA-N 0 0 484.670 -0.483 20 0 JBADRN CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001297792515 1070048355 /nfs/dbraw/zinc/04/83/55/1070048355.db2.gz JVNXBQYLHBVYEE-DBDZUICISA-N 0 0 484.670 -0.483 20 0 JBADRN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001297792516 1070048258 /nfs/dbraw/zinc/04/82/58/1070048258.db2.gz JVNXBQYLHBVYEE-OIJAAMDRSA-N 0 0 484.670 -0.483 20 0 JBADRN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001297792517 1070048026 /nfs/dbraw/zinc/04/80/26/1070048026.db2.gz JVNXBQYLHBVYEE-QYSRSOONSA-N 0 0 484.670 -0.483 20 0 JBADRN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001297792680 1070048057 /nfs/dbraw/zinc/04/80/57/1070048057.db2.gz KQZBDWZYMAMBEO-VYMQAWTISA-N 0 0 496.681 -0.339 20 0 JBADRN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001297792681 1070048203 /nfs/dbraw/zinc/04/82/03/1070048203.db2.gz KQZBDWZYMAMBEO-WBHWENKQSA-N 0 0 496.681 -0.339 20 0 JBADRN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001297792682 1070048275 /nfs/dbraw/zinc/04/82/75/1070048275.db2.gz KQZBDWZYMAMBEO-YPLATFLCSA-N 0 0 496.681 -0.339 20 0 JBADRN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001297792683 1070048179 /nfs/dbraw/zinc/04/81/79/1070048179.db2.gz KQZBDWZYMAMBEO-YSVMAZNTSA-N 0 0 496.681 -0.339 20 0 JBADRN CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001297793370 1070048291 /nfs/dbraw/zinc/04/82/91/1070048291.db2.gz PECMBBKSKDDDLI-CAMPQQCRSA-N 0 0 461.614 -0.349 20 0 JBADRN CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001297793373 1070048861 /nfs/dbraw/zinc/04/88/61/1070048861.db2.gz PECMBBKSKDDDLI-JYCIKRDWSA-N 0 0 461.614 -0.349 20 0 JBADRN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001297793374 1070048842 /nfs/dbraw/zinc/04/88/42/1070048842.db2.gz PECMBBKSKDDDLI-MUWSIPGASA-N 0 0 461.614 -0.349 20 0 JBADRN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001297793375 1070048671 /nfs/dbraw/zinc/04/86/71/1070048671.db2.gz PECMBBKSKDDDLI-YBKRRLQSSA-N 0 0 461.614 -0.349 20 0 JBADRN CNS(=O)(=O)N1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC001297793982 1070048691 /nfs/dbraw/zinc/04/86/91/1070048691.db2.gz KUIYAKIHWWWFSI-UHFFFAOYSA-N 0 0 455.562 -0.544 20 0 JBADRN CC[S@@](=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001297796954 1070048573 /nfs/dbraw/zinc/04/85/73/1070048573.db2.gz RVLZNCIMAOMECL-BBFFTDKLSA-N 0 0 494.599 -0.736 20 0 JBADRN CC[S@@](=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001297796955 1070048765 /nfs/dbraw/zinc/04/87/65/1070048765.db2.gz RVLZNCIMAOMECL-IBADJEFMSA-N 0 0 494.599 -0.736 20 0 JBADRN CC[S@](=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001297796956 1070048930 /nfs/dbraw/zinc/04/89/30/1070048930.db2.gz RVLZNCIMAOMECL-YPSMLTEGSA-N 0 0 494.599 -0.736 20 0 JBADRN CC[S@](=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001297796957 1070048616 /nfs/dbraw/zinc/04/86/16/1070048616.db2.gz RVLZNCIMAOMECL-ZZQXMTQJSA-N 0 0 494.599 -0.736 20 0 JBADRN CC[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001297807463 1070048877 /nfs/dbraw/zinc/04/88/77/1070048877.db2.gz ZCRVLOWQXLHQFW-JGCGQSQUSA-N 0 0 462.580 -0.516 20 0 JBADRN CC[S@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001297807464 1070048819 /nfs/dbraw/zinc/04/88/19/1070048819.db2.gz ZCRVLOWQXLHQFW-YTTGMZPUSA-N 0 0 462.580 -0.516 20 0 JBADRN CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001297810593 1070048895 /nfs/dbraw/zinc/04/88/95/1070048895.db2.gz BBXIVOFVXVDBLZ-AZYRPFHASA-N 0 0 451.597 -0.258 20 0 JBADRN CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001297810597 1070048730 /nfs/dbraw/zinc/04/87/30/1070048730.db2.gz BBXIVOFVXVDBLZ-MKTHODDLSA-N 0 0 451.597 -0.258 20 0 JBADRN CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001297810600 1070048749 /nfs/dbraw/zinc/04/87/49/1070048749.db2.gz BBXIVOFVXVDBLZ-RKXCMPKHSA-N 0 0 451.597 -0.258 20 0 JBADRN CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001297810603 1070048913 /nfs/dbraw/zinc/04/89/13/1070048913.db2.gz BBXIVOFVXVDBLZ-ZYSBOAIWSA-N 0 0 451.597 -0.258 20 0 JBADRN CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001297810631 1070048945 /nfs/dbraw/zinc/04/89/45/1070048945.db2.gz BHPLCUZYOCXGME-IWAYBZMOSA-N 0 0 453.569 -0.428 20 0 JBADRN CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001297810634 1070048589 /nfs/dbraw/zinc/04/85/89/1070048589.db2.gz BHPLCUZYOCXGME-LHEBDHONSA-N 0 0 453.569 -0.428 20 0 JBADRN CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001297810635 1070048707 /nfs/dbraw/zinc/04/87/07/1070048707.db2.gz BHPLCUZYOCXGME-PBNKOMEISA-N 0 0 453.569 -0.428 20 0 JBADRN CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001297810636 1070048794 /nfs/dbraw/zinc/04/87/94/1070048794.db2.gz BHPLCUZYOCXGME-QLCIJSRNSA-N 0 0 453.569 -0.428 20 0 JBADRN CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001297812788 1070048633 /nfs/dbraw/zinc/04/86/33/1070048633.db2.gz AEZYTBBNMWAZMD-JUMZHAFNSA-N 0 0 477.609 -0.625 20 0 JBADRN CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001297812793 1070049198 /nfs/dbraw/zinc/04/91/98/1070049198.db2.gz AEZYTBBNMWAZMD-LOPLQLAGSA-N 0 0 477.609 -0.625 20 0 JBADRN CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001297812795 1070049409 /nfs/dbraw/zinc/04/94/09/1070049409.db2.gz AEZYTBBNMWAZMD-NQUPLYSKSA-N 0 0 477.609 -0.625 20 0 JBADRN CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001297812800 1070049482 /nfs/dbraw/zinc/04/94/82/1070049482.db2.gz AEZYTBBNMWAZMD-RBQGVIKNSA-N 0 0 477.609 -0.625 20 0 JBADRN CC[S@](=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001297813941 1070049390 /nfs/dbraw/zinc/04/93/90/1070049390.db2.gz VCZGLJRLYMKOPA-UMSFTDKQSA-N 0 0 489.602 -0.460 20 0 JBADRN CC[S@@](=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001297813945 1070049452 /nfs/dbraw/zinc/04/94/52/1070049452.db2.gz VCZGLJRLYMKOPA-UUWRZZSWSA-N 0 0 489.602 -0.460 20 0 JBADRN CC[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001297815586 1070049365 /nfs/dbraw/zinc/04/93/65/1070049365.db2.gz ICNVBNSXKFMXQI-FUJBLVTHSA-N 0 0 473.621 -0.224 20 0 JBADRN CC[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001297815587 1070049211 /nfs/dbraw/zinc/04/92/11/1070049211.db2.gz ICNVBNSXKFMXQI-JDWNHOKZSA-N 0 0 473.621 -0.224 20 0 JBADRN CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001297815588 1070049463 /nfs/dbraw/zinc/04/94/63/1070049463.db2.gz ICNVBNSXKFMXQI-KHFRWJKUSA-N 0 0 473.621 -0.224 20 0 JBADRN CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001297815589 1070049293 /nfs/dbraw/zinc/04/92/93/1070049293.db2.gz ICNVBNSXKFMXQI-KKUWSCMFSA-N 0 0 473.621 -0.224 20 0 JBADRN 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CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001298004868 1070055140 /nfs/dbraw/zinc/05/51/40/1070055140.db2.gz DBFFGMQEEPNGLT-OAGGEKHMSA-N 0 0 456.569 -0.296 20 0 JBADRN CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001298004869 1070054834 /nfs/dbraw/zinc/05/48/34/1070054834.db2.gz DBFFGMQEEPNGLT-PMPSAXMXSA-N 0 0 456.569 -0.296 20 0 JBADRN CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001298004870 1070054795 /nfs/dbraw/zinc/05/47/95/1070054795.db2.gz DBFFGMQEEPNGLT-XHSDSOJGSA-N 0 0 456.569 -0.296 20 0 JBADRN CN(C)C(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001298004877 1070055659 /nfs/dbraw/zinc/05/56/59/1070055659.db2.gz DHFVPDNBPYGUKF-UHFFFAOYSA-N 0 0 487.536 -0.396 20 0 JBADRN CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001298005023 1070055549 /nfs/dbraw/zinc/05/55/49/1070055549.db2.gz ISTXVXFSTPBAFV-CVEARBPZSA-N 0 0 483.595 -0.710 20 0 JBADRN CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001298005024 1070055510 /nfs/dbraw/zinc/05/55/10/1070055510.db2.gz ISTXVXFSTPBAFV-HOTGVXAUSA-N 0 0 483.595 -0.710 20 0 JBADRN CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001298005025 1070055708 /nfs/dbraw/zinc/05/57/08/1070055708.db2.gz ISTXVXFSTPBAFV-HZPDHXFCSA-N 0 0 483.595 -0.710 20 0 JBADRN CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001298005026 1070055605 /nfs/dbraw/zinc/05/56/05/1070055605.db2.gz ISTXVXFSTPBAFV-JKSUJKDBSA-N 0 0 483.595 -0.710 20 0 JBADRN CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001298005033 1070055463 /nfs/dbraw/zinc/05/54/63/1070055463.db2.gz JGNRZNIKNJPXJK-AUUYWEPGSA-N 0 0 451.553 -0.246 20 0 JBADRN CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001298005034 1070055436 /nfs/dbraw/zinc/05/54/36/1070055436.db2.gz JGNRZNIKNJPXJK-IFXJQAMLSA-N 0 0 451.553 -0.246 20 0 JBADRN 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CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001298005226 1070056227 /nfs/dbraw/zinc/05/62/27/1070056227.db2.gz NKWICYCJYNLNOS-QGZVFWFLSA-N 0 0 464.596 -0.286 20 0 JBADRN CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001298005230 1070056270 /nfs/dbraw/zinc/05/62/70/1070056270.db2.gz NLHXPMCMKVEQAQ-CABCVRRESA-N 0 0 476.625 -0.624 20 0 JBADRN CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001298005232 1070056109 /nfs/dbraw/zinc/05/61/09/1070056109.db2.gz NLHXPMCMKVEQAQ-GJZGRUSLSA-N 0 0 476.625 -0.624 20 0 JBADRN CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001298005234 1070056318 /nfs/dbraw/zinc/05/63/18/1070056318.db2.gz NLHXPMCMKVEQAQ-HUUCEWRRSA-N 0 0 476.625 -0.624 20 0 JBADRN CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001298005236 1070056011 /nfs/dbraw/zinc/05/60/11/1070056011.db2.gz NLHXPMCMKVEQAQ-LSDHHAIUSA-N 0 0 476.625 -0.624 20 0 JBADRN 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CN(CCCS(C)(=O)=O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 ZINC001298691155 1070070473 /nfs/dbraw/zinc/07/04/73/1070070473.db2.gz LOSSWSLPAOLSNF-MRXNPFEDSA-N 0 0 478.641 -0.422 20 0 JBADRN CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001298691669 1070070569 /nfs/dbraw/zinc/07/05/69/1070070569.db2.gz OJTRKVPZQSYVOK-HUUCEWRRSA-N 0 0 497.665 -0.525 20 0 JBADRN CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001298691670 1070070588 /nfs/dbraw/zinc/07/05/88/1070070588.db2.gz OJTRKVPZQSYVOK-LSDHHAIUSA-N 0 0 497.665 -0.525 20 0 JBADRN CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 ZINC001298692362 1070070712 /nfs/dbraw/zinc/07/07/12/1070070712.db2.gz VXHIZPCVXPPHAP-BBRMVZONSA-N 0 0 452.624 -0.081 20 0 JBADRN CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 ZINC001298692363 1070070541 /nfs/dbraw/zinc/07/05/41/1070070541.db2.gz VXHIZPCVXPPHAP-CJNGLKHVSA-N 0 0 452.624 -0.081 20 0 JBADRN CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 ZINC001298692364 1070070503 /nfs/dbraw/zinc/07/05/03/1070070503.db2.gz VXHIZPCVXPPHAP-CZUORRHYSA-N 0 0 452.624 -0.081 20 0 JBADRN CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 ZINC001298692365 1070070733 /nfs/dbraw/zinc/07/07/33/1070070733.db2.gz VXHIZPCVXPPHAP-XJKSGUPXSA-N 0 0 452.624 -0.081 20 0 JBADRN CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001298692619 1070070644 /nfs/dbraw/zinc/07/06/44/1070070644.db2.gz YLCKPJMHRCHGJG-CABCVRRESA-N 0 0 497.665 -0.667 20 0 JBADRN CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001298692620 1070070414 /nfs/dbraw/zinc/07/04/14/1070070414.db2.gz YLCKPJMHRCHGJG-GJZGRUSLSA-N 0 0 497.665 -0.667 20 0 JBADRN CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001298692621 1070071194 /nfs/dbraw/zinc/07/11/94/1070071194.db2.gz YLCKPJMHRCHGJG-HUUCEWRRSA-N 0 0 497.665 -0.667 20 0 JBADRN 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CN(CCN1CCOC(C)(C)C1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 ZINC001298730029 1070071605 /nfs/dbraw/zinc/07/16/05/1070071605.db2.gz PYXJLCQZNYFLTC-INIZCTEOSA-N 0 0 472.612 -0.317 20 0 JBADRN CN(CCN1CCOC(C)(C)C1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 ZINC001298730030 1070071661 /nfs/dbraw/zinc/07/16/61/1070071661.db2.gz PYXJLCQZNYFLTC-MRXNPFEDSA-N 0 0 472.612 -0.317 20 0 JBADRN CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001298730203 1070072227 /nfs/dbraw/zinc/07/22/27/1070072227.db2.gz WAAPCWKMAIYHJV-HNNXBMFYSA-N 0 0 457.601 -0.332 20 0 JBADRN CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001298730204 1070072119 /nfs/dbraw/zinc/07/21/19/1070072119.db2.gz WAAPCWKMAIYHJV-OAHLLOKOSA-N 0 0 457.601 -0.332 20 0 JBADRN CN(CCN1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001298736122 1070072190 /nfs/dbraw/zinc/07/21/90/1070072190.db2.gz BHAHKXVYLFVHCO-QGZVFWFLSA-N 0 0 452.585 -0.129 20 0 JBADRN 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Cn1cc(C[C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCNS(C)(=O)=O)C2)cn1 ZINC001298826620 1070076179 /nfs/dbraw/zinc/07/61/79/1070076179.db2.gz OWLMVMZJTURTHZ-ZBFHGGJFSA-N 0 0 471.609 -0.468 20 0 JBADRN Cn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)cn1 ZINC001298827466 1070076048 /nfs/dbraw/zinc/07/60/48/1070076048.db2.gz AMDYEQBCNCGHJN-HNNXBMFYSA-N 0 0 457.582 -0.566 20 0 JBADRN Cn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)cn1 ZINC001298827468 1070076027 /nfs/dbraw/zinc/07/60/27/1070076027.db2.gz AMDYEQBCNCGHJN-OAHLLOKOSA-N 0 0 457.582 -0.566 20 0 JBADRN Cn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cn1 ZINC001298827539 1070076001 /nfs/dbraw/zinc/07/60/01/1070076001.db2.gz BMBPEIQVZGRWGV-INIZCTEOSA-N 0 0 471.609 -0.272 20 0 JBADRN Cn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cn1 ZINC001298827540 1070076132 /nfs/dbraw/zinc/07/61/32/1070076132.db2.gz BMBPEIQVZGRWGV-MRXNPFEDSA-N 0 0 471.609 -0.272 20 0 JBADRN Cn1cc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCNS(C)(=O)=O)CC2)cn1 ZINC001298834125 1070076274 /nfs/dbraw/zinc/07/62/74/1070076274.db2.gz JMVOKYOPIIXSPC-UHFFFAOYSA-N 0 0 451.557 -0.877 20 0 JBADRN Cn1cc(N2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCCCO)CC2=O)cn1 ZINC001298834136 1070076162 /nfs/dbraw/zinc/07/61/62/1070076162.db2.gz JVTMCOGZEQDDLK-HNNXBMFYSA-N 0 0 451.553 -0.071 20 0 JBADRN Cn1cc(N2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCCCCO)CC2=O)cn1 ZINC001298834137 1070076371 /nfs/dbraw/zinc/07/63/71/1070076371.db2.gz JVTMCOGZEQDDLK-OAHLLOKOSA-N 0 0 451.553 -0.071 20 0 JBADRN Cn1cc(N2CCN(c3nnc(Cc4cccnc4)n3CCNS(C)(=O)=O)CC2=O)cn1 ZINC001298835009 1070076253 /nfs/dbraw/zinc/07/62/53/1070076253.db2.gz TTXBNMCRXYAEED-UHFFFAOYSA-N 0 0 459.536 -0.600 20 0 JBADRN Cn1cc(N2CCN(c3nnc(CN4CCCC4=O)n3CCCNS(C)(=O)=O)CC2)cn1 ZINC001298835031 1070076192 /nfs/dbraw/zinc/07/61/92/1070076192.db2.gz UPTRZEDKHCBHNI-UHFFFAOYSA-N 0 0 465.584 -0.600 20 0 JBADRN Cn1cc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2=O)cn1 ZINC001298835275 1070076329 /nfs/dbraw/zinc/07/63/29/1070076329.db2.gz XVWLTGGEWYIUQG-GFCCVEGCSA-N 0 0 451.438 -0.803 20 0 JBADRN Cn1cc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2=O)cn1 ZINC001298835276 1070076393 /nfs/dbraw/zinc/07/63/93/1070076393.db2.gz XVWLTGGEWYIUQG-LBPRGKRZSA-N 0 0 451.438 -0.803 20 0 JBADRN Cn1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)n1 ZINC001298844828 1070075980 /nfs/dbraw/zinc/07/59/80/1070075980.db2.gz WZVOYWLETRICNE-CVEARBPZSA-N 0 0 485.636 -0.078 20 0 JBADRN Cn1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC001298844829 1070076292 /nfs/dbraw/zinc/07/62/92/1070076292.db2.gz WZVOYWLETRICNE-HOTGVXAUSA-N 0 0 485.636 -0.078 20 0 JBADRN Cn1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)n1 ZINC001298844830 1070076310 /nfs/dbraw/zinc/07/63/10/1070076310.db2.gz WZVOYWLETRICNE-HZPDHXFCSA-N 0 0 485.636 -0.078 20 0 JBADRN Cn1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC001298844831 1070075960 /nfs/dbraw/zinc/07/59/60/1070075960.db2.gz WZVOYWLETRICNE-JKSUJKDBSA-N 0 0 485.636 -0.078 20 0 JBADRN Cn1cccc1-c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCCNS(C)(=O)=O ZINC001298854892 1070076963 /nfs/dbraw/zinc/07/69/63/1070076963.db2.gz SKSLVJCCHISNIB-UHFFFAOYSA-N 0 0 459.598 -0.259 20 0 JBADRN Cn1cccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CCNS(C)(=O)=O ZINC001298857904 1070076603 /nfs/dbraw/zinc/07/66/03/1070076603.db2.gz SNZHZSFKSBJFMG-AWEZNQCLSA-N 0 0 459.598 -0.402 20 0 JBADRN Cn1cccc1-c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CCNS(C)(=O)=O ZINC001298857905 1070076797 /nfs/dbraw/zinc/07/67/97/1070076797.db2.gz SNZHZSFKSBJFMG-CQSZACIVSA-N 0 0 459.598 -0.402 20 0 JBADRN Cn1cccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC(=O)N1CCOCC1 ZINC001298858045 1070076863 /nfs/dbraw/zinc/07/68/63/1070076863.db2.gz VYBLAVMSVHBEAY-INIZCTEOSA-N 0 0 465.580 -0.092 20 0 JBADRN Cn1cccc1-c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC(=O)N1CCOCC1 ZINC001298858047 1070076698 /nfs/dbraw/zinc/07/66/98/1070076698.db2.gz VYBLAVMSVHBEAY-MRXNPFEDSA-N 0 0 465.580 -0.092 20 0 JBADRN Cn1cccc1-c1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1CCS(C)(=O)=O ZINC001298858139 1070076625 /nfs/dbraw/zinc/07/66/25/1070076625.db2.gz WYTBLDSBAGFCGD-INIZCTEOSA-N 0 0 486.620 -0.041 20 0 JBADRN Cn1cccc1-c1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CCS(C)(=O)=O ZINC001298858140 1070076715 /nfs/dbraw/zinc/07/67/15/1070076715.db2.gz WYTBLDSBAGFCGD-MRXNPFEDSA-N 0 0 486.620 -0.041 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001298860554 1070076781 /nfs/dbraw/zinc/07/67/81/1070076781.db2.gz BCDSCPULASCACZ-UHFFFAOYSA-N 0 0 451.553 -0.353 20 0 JBADRN Cn1cccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001298860748 1070076645 /nfs/dbraw/zinc/07/66/45/1070076645.db2.gz AGCNUWDFNZWUQF-UHFFFAOYSA-N 0 0 486.620 -0.305 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001298860944 1070076729 /nfs/dbraw/zinc/07/67/29/1070076729.db2.gz HMGXEJLTNMLXSO-OAHLLOKOSA-N 0 0 471.609 -0.211 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC(=O)NCC(F)F ZINC001298862533 1070077035 /nfs/dbraw/zinc/07/70/35/1070077035.db2.gz VZCRUGZLIYRIFP-UHFFFAOYSA-N 0 0 480.520 -0.354 20 0 JBADRN Cn1cccc1-c1nnc(N2CCNC(=O)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001298862700 1070076684 /nfs/dbraw/zinc/07/66/84/1070076684.db2.gz WLEYMWAYZYTOFV-UHFFFAOYSA-N 0 0 453.594 -0.012 20 0 JBADRN Cn1cnnc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001298869879 1070076744 /nfs/dbraw/zinc/07/67/44/1070076744.db2.gz VOAXGUKWYXAHCE-AWEZNQCLSA-N 0 0 451.557 -0.544 20 0 JBADRN Cn1cnnc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001298869882 1070076884 /nfs/dbraw/zinc/07/68/84/1070076884.db2.gz VOAXGUKWYXAHCE-CQSZACIVSA-N 0 0 451.557 -0.544 20 0 JBADRN CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001298871864 1070076763 /nfs/dbraw/zinc/07/67/63/1070076763.db2.gz KFKMPZIMWAYJSI-FQEVSTJZSA-N 0 0 496.615 -0.092 20 0 JBADRN CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(C)CN(C)C2=O)c1 ZINC001298871865 1070076664 /nfs/dbraw/zinc/07/66/64/1070076664.db2.gz KFKMPZIMWAYJSI-HXUWFJFHSA-N 0 0 496.615 -0.092 20 0 JBADRN CN(Cc1cnccn1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O ZINC001298874250 1070077374 /nfs/dbraw/zinc/07/73/74/1070077374.db2.gz KQBDDCCIVJPZEF-BEFAXECRSA-N 0 0 464.552 -0.484 20 0 JBADRN CN(Cc1cnccn1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C)C1=O ZINC001298874251 1070077186 /nfs/dbraw/zinc/07/71/86/1070077186.db2.gz KQBDDCCIVJPZEF-DNVCBOLYSA-N 0 0 464.552 -0.484 20 0 JBADRN CN(Cc1cnccn1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C)C1=O ZINC001298874252 1070077354 /nfs/dbraw/zinc/07/73/54/1070077354.db2.gz KQBDDCCIVJPZEF-HNAYVOBHSA-N 0 0 464.552 -0.484 20 0 JBADRN CN(Cc1cnccn1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O ZINC001298874253 1070077615 /nfs/dbraw/zinc/07/76/15/1070077615.db2.gz KQBDDCCIVJPZEF-KXBFYZLASA-N 0 0 464.552 -0.484 20 0 JBADRN CN1C[C@@](C)(Cn2c(CN3CCCC3=O)nnc2N2CCC(NS(C)(=O)=O)CC2)C1=O ZINC001298877220 1070077433 /nfs/dbraw/zinc/07/74/33/1070077433.db2.gz MRPVWVXNLPQBKK-IBGZPJMESA-N 0 0 453.569 -0.603 20 0 JBADRN CN1C[C@](C)(Cn2c(CN3CCCC3=O)nnc2N2CCC(NS(C)(=O)=O)CC2)C1=O ZINC001298877222 1070077317 /nfs/dbraw/zinc/07/73/17/1070077317.db2.gz MRPVWVXNLPQBKK-LJQANCHMSA-N 0 0 453.569 -0.603 20 0 JBADRN CN1C[C@@H]2CN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CCOC(C)(C)C)CCN2C1=O ZINC001298879409 1070077274 /nfs/dbraw/zinc/07/72/74/1070077274.db2.gz UDEFUGOHXXRHPP-CVEARBPZSA-N 0 0 485.611 -0.018 20 0 JBADRN CN1C[C@H]2CN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CCOC(C)(C)C)CCN2C1=O ZINC001298879416 1070077595 /nfs/dbraw/zinc/07/75/95/1070077595.db2.gz UDEFUGOHXXRHPP-HOTGVXAUSA-N 0 0 485.611 -0.018 20 0 JBADRN CN1C[C@@H]2CN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCOC(C)(C)C)CCN2C1=O ZINC001298879417 1070077335 /nfs/dbraw/zinc/07/73/35/1070077335.db2.gz UDEFUGOHXXRHPP-HZPDHXFCSA-N 0 0 485.611 -0.018 20 0 JBADRN CN1C[C@H]2CN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCOC(C)(C)C)CCN2C1=O ZINC001298879419 1070077165 /nfs/dbraw/zinc/07/71/65/1070077165.db2.gz UDEFUGOHXXRHPP-JKSUJKDBSA-N 0 0 485.611 -0.018 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCOCCS(C)(=O)=O ZINC001298879858 1070077653 /nfs/dbraw/zinc/07/76/53/1070077653.db2.gz XKZFSXDXIYQLPR-HNNXBMFYSA-N 0 0 451.553 -0.099 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCOCCS(C)(=O)=O ZINC001298879859 1070077295 /nfs/dbraw/zinc/07/72/95/1070077295.db2.gz XKZFSXDXIYQLPR-OAHLLOKOSA-N 0 0 451.553 -0.099 20 0 JBADRN CN1C[C@H]2CN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCNC(=O)C(C)(C)C)CCN2C1=O ZINC001298880076 1070078643 /nfs/dbraw/zinc/07/86/43/1070078643.db2.gz YRUZZXVLOBMQRL-CABCVRRESA-N 0 0 467.596 -0.102 20 0 JBADRN CN1C[C@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCNC(=O)C(C)(C)C)CCN2C1=O ZINC001298880080 1070078300 /nfs/dbraw/zinc/07/83/00/1070078300.db2.gz YRUZZXVLOBMQRL-GJZGRUSLSA-N 0 0 467.596 -0.102 20 0 JBADRN CN1C[C@@H]2CN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCNC(=O)C(C)(C)C)CCN2C1=O ZINC001298880084 1070077826 /nfs/dbraw/zinc/07/78/26/1070077826.db2.gz YRUZZXVLOBMQRL-HUUCEWRRSA-N 0 0 467.596 -0.102 20 0 JBADRN CN1C[C@@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCNC(=O)C(C)(C)C)CCN2C1=O ZINC001298880086 1070078754 /nfs/dbraw/zinc/07/87/54/1070078754.db2.gz YRUZZXVLOBMQRL-LSDHHAIUSA-N 0 0 467.596 -0.102 20 0 JBADRN CN1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001298880348 1070078024 /nfs/dbraw/zinc/07/80/24/1070078024.db2.gz VGAAHDKXDOSROE-JXFKEZNVSA-N 0 0 454.597 -0.016 20 0 JBADRN CN1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001298880349 1070078400 /nfs/dbraw/zinc/07/84/00/1070078400.db2.gz VGAAHDKXDOSROE-OXJNMPFZSA-N 0 0 454.597 -0.016 20 0 JBADRN CN1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001298880350 1070078453 /nfs/dbraw/zinc/07/84/53/1070078453.db2.gz VGAAHDKXDOSROE-OXQOHEQNSA-N 0 0 454.597 -0.016 20 0 JBADRN 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CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(=O)NC)CC1 ZINC001299118886 1070088900 /nfs/dbraw/zinc/08/89/00/1070088900.db2.gz IYHNYQDQWYCUEE-OAHLLOKOSA-N 0 0 485.611 -0.654 20 0 JBADRN CNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001299119259 1070088785 /nfs/dbraw/zinc/08/87/85/1070088785.db2.gz APJVCUBAQIXQGH-INIZCTEOSA-N 0 0 461.567 -0.142 20 0 JBADRN CNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001299119260 1070088997 /nfs/dbraw/zinc/08/89/97/1070088997.db2.gz APJVCUBAQIXQGH-MRXNPFEDSA-N 0 0 461.567 -0.142 20 0 JBADRN CNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCS2(=O)=O)CC1 ZINC001299119318 1070088885 /nfs/dbraw/zinc/08/88/85/1070088885.db2.gz CXMIGYOOWJRULZ-UHFFFAOYSA-N 0 0 453.569 -0.602 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001299119467 1070088770 /nfs/dbraw/zinc/08/87/70/1070088770.db2.gz PGIZPLKAERDCAS-BBWFWOEESA-N 0 0 486.595 -0.887 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001299119468 1070089063 /nfs/dbraw/zinc/08/90/63/1070089063.db2.gz PGIZPLKAERDCAS-GVDBMIGSSA-N 0 0 486.595 -0.887 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)CC1 ZINC001299119478 1070088983 /nfs/dbraw/zinc/08/89/83/1070088983.db2.gz PVIDXOZLHMBHMN-INIZCTEOSA-N 0 0 458.585 -0.002 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)CC1 ZINC001299119479 1070088856 /nfs/dbraw/zinc/08/88/56/1070088856.db2.gz PVIDXOZLHMBHMN-MRXNPFEDSA-N 0 0 458.585 -0.002 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001299119621 1070088871 /nfs/dbraw/zinc/08/88/71/1070088871.db2.gz RJAMQIXSZLUFEZ-INIZCTEOSA-N 0 0 473.621 -0.033 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001299119623 1070089117 /nfs/dbraw/zinc/08/91/17/1070089117.db2.gz RJAMQIXSZLUFEZ-MRXNPFEDSA-N 0 0 473.621 -0.033 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)CC1 ZINC001299119696 1070089129 /nfs/dbraw/zinc/08/91/29/1070089129.db2.gz SDUCADOUTDVLGV-HNNXBMFYSA-N 0 0 471.584 -0.948 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)CC1 ZINC001299119697 1070088915 /nfs/dbraw/zinc/08/89/15/1070088915.db2.gz SDUCADOUTDVLGV-OAHLLOKOSA-N 0 0 471.584 -0.948 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 ZINC001299119878 1070088750 /nfs/dbraw/zinc/08/87/50/1070088750.db2.gz WBNXGJCBDMUTSU-HNNXBMFYSA-N 0 0 456.569 -0.512 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 ZINC001299119907 1070089439 /nfs/dbraw/zinc/08/94/39/1070089439.db2.gz WBNXGJCBDMUTSU-OAHLLOKOSA-N 0 0 456.569 -0.512 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)CC1 ZINC001299119951 1070089421 /nfs/dbraw/zinc/08/94/21/1070089421.db2.gz WULXBCINGOTBAU-HNNXBMFYSA-N 0 0 454.553 -0.015 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)CC1 ZINC001299119952 1070089545 /nfs/dbraw/zinc/08/95/45/1070089545.db2.gz WULXBCINGOTBAU-OAHLLOKOSA-N 0 0 454.553 -0.015 20 0 JBADRN CNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001299120080 1070089496 /nfs/dbraw/zinc/08/94/96/1070089496.db2.gz QDMFTOMZAMTGHV-UHFFFAOYSA-N 0 0 499.663 -0.259 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001299120131 1070089476 /nfs/dbraw/zinc/08/94/76/1070089476.db2.gz YMBQKSPWOIGKBP-AWEZNQCLSA-N 0 0 459.594 -0.280 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001299120132 1070089560 /nfs/dbraw/zinc/08/95/60/1070089560.db2.gz YMBQKSPWOIGKBP-CQSZACIVSA-N 0 0 459.594 -0.280 20 0 JBADRN COc1ccc(S(=O)(=O)NCC(=O)NCC2(N3CCOCC3)CCOCC2)cc1OC ZINC001299120619 1070089675 /nfs/dbraw/zinc/08/96/75/1070089675.db2.gz GBNQXILTZMIZFN-UHFFFAOYSA-N 0 0 457.549 -0.020 20 0 JBADRN CNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)NC)CC1 ZINC001299123611 1070089362 /nfs/dbraw/zinc/08/93/62/1070089362.db2.gz MUEICOTTWAWENV-UHFFFAOYSA-N 0 0 469.593 -0.219 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(COC)CCOCC2)CCO1 ZINC001299126810 1070089458 /nfs/dbraw/zinc/08/94/58/1070089458.db2.gz ANHPWJZULYDORV-CABCVRRESA-N 0 0 474.584 -0.717 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(COC)CCOCC2)CCO1 ZINC001299126811 1070089604 /nfs/dbraw/zinc/08/96/04/1070089604.db2.gz ANHPWJZULYDORV-GJZGRUSLSA-N 0 0 474.584 -0.717 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(COC)CCOCC2)CCO1 ZINC001299126812 1070089645 /nfs/dbraw/zinc/08/96/45/1070089645.db2.gz ANHPWJZULYDORV-HUUCEWRRSA-N 0 0 474.584 -0.717 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(COC)CCOCC2)CCO1 ZINC001299126813 1070089576 /nfs/dbraw/zinc/08/95/76/1070089576.db2.gz ANHPWJZULYDORV-LSDHHAIUSA-N 0 0 474.584 -0.717 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C3OCCO3)c2)CCO1 ZINC001299126838 1070089514 /nfs/dbraw/zinc/08/95/14/1070089514.db2.gz BAUXRQVGUOBNFH-PBHICJAKSA-N 0 0 494.574 -0.067 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C3OCCO3)c2)CCO1 ZINC001299126839 1070089659 /nfs/dbraw/zinc/08/96/59/1070089659.db2.gz BAUXRQVGUOBNFH-RHSMWYFYSA-N 0 0 494.574 -0.067 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C3OCCO3)c2)CCO1 ZINC001299126840 1070089617 /nfs/dbraw/zinc/08/96/17/1070089617.db2.gz BAUXRQVGUOBNFH-WMLDXEAASA-N 0 0 494.574 -0.067 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C3OCCO3)c2)CCO1 ZINC001299126841 1070089401 /nfs/dbraw/zinc/08/94/01/1070089401.db2.gz BAUXRQVGUOBNFH-YOEHRIQHSA-N 0 0 494.574 -0.067 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(CS(C)(=O)=O)CC2)CCO1 ZINC001299127079 1070089530 /nfs/dbraw/zinc/08/95/30/1070089530.db2.gz AINABIUEJSONFH-AWEZNQCLSA-N 0 0 454.553 -0.710 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(CS(C)(=O)=O)CC2)CCO1 ZINC001299127081 1070089631 /nfs/dbraw/zinc/08/96/31/1070089631.db2.gz AINABIUEJSONFH-CQSZACIVSA-N 0 0 454.553 -0.710 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)CCO1 ZINC001299127112 1070089592 /nfs/dbraw/zinc/08/95/92/1070089592.db2.gz DHNLHAXJKNAJFK-BIENJYKASA-N 0 0 458.585 -0.219 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)CCO1 ZINC001299127114 1070089381 /nfs/dbraw/zinc/08/93/81/1070089381.db2.gz DHNLHAXJKNAJFK-CKFHNAJUSA-N 0 0 458.585 -0.219 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC001299127137 1070090278 /nfs/dbraw/zinc/09/02/78/1070090278.db2.gz BMBIGOKCEOGGQX-KBPBESRZSA-N 0 0 477.488 -0.369 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC001299127138 1070089933 /nfs/dbraw/zinc/08/99/33/1070089933.db2.gz BMBIGOKCEOGGQX-KGLIPLIRSA-N 0 0 477.488 -0.369 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC001299127139 1070090245 /nfs/dbraw/zinc/09/02/45/1070090245.db2.gz BMBIGOKCEOGGQX-UONOGXRCSA-N 0 0 477.488 -0.369 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC001299127140 1070090259 /nfs/dbraw/zinc/09/02/59/1070090259.db2.gz BMBIGOKCEOGGQX-ZIAGYGMSSA-N 0 0 477.488 -0.369 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)CCO1 ZINC001299127184 1070090124 /nfs/dbraw/zinc/09/01/24/1070090124.db2.gz DHNLHAXJKNAJFK-NJSLBKSFSA-N 0 0 458.585 -0.219 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)CCO1 ZINC001299127185 1070090295 /nfs/dbraw/zinc/09/02/95/1070090295.db2.gz DHNLHAXJKNAJFK-TYILLQQXSA-N 0 0 458.585 -0.219 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3n2)CCO1 ZINC001299127220 1070090330 /nfs/dbraw/zinc/09/03/30/1070090330.db2.gz DWJIMMWLSBEHMD-GDBMZVCRSA-N 0 0 476.563 -0.270 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3n2)CCO1 ZINC001299127221 1070090091 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SMVPVLSTLOWAIX-GOSISDBHSA-N 0 0 485.545 -0.043 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)N2CCOCC2)CCO1 ZINC001299129096 1070092069 /nfs/dbraw/zinc/09/20/69/1070092069.db2.gz SMVPVLSTLOWAIX-SFHVURJKSA-N 0 0 485.545 -0.043 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001299129198 1070091935 /nfs/dbraw/zinc/09/19/35/1070091935.db2.gz SMZVFCIFMZOERX-APWZRJJASA-N 0 0 491.618 -0.102 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001299129199 1070092213 /nfs/dbraw/zinc/09/22/13/1070092213.db2.gz SMZVFCIFMZOERX-LPHOPBHVSA-N 0 0 491.618 -0.102 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001299129200 1070092273 /nfs/dbraw/zinc/09/22/73/1070092273.db2.gz SMZVFCIFMZOERX-QFBILLFUSA-N 0 0 491.618 -0.102 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001299129201 1070092015 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CNC(=O)[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NC(C)C)CCO1 ZINC001299145163 1070095571 /nfs/dbraw/zinc/09/55/71/1070095571.db2.gz HLRLHQDLNNZJEO-KRWDZBQOSA-N 0 0 471.566 -0.072 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NC(C)C)CCO1 ZINC001299145164 1070095460 /nfs/dbraw/zinc/09/54/60/1070095460.db2.gz HLRLHQDLNNZJEO-QGZVFWFLSA-N 0 0 471.566 -0.072 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCNS(C)(=O)=O)CCO1 ZINC001299146224 1070095278 /nfs/dbraw/zinc/09/52/78/1070095278.db2.gz HRKBEINUJGMIFI-INIZCTEOSA-N 0 0 454.528 -0.102 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCNS(C)(=O)=O)CCO1 ZINC001299146227 1070095422 /nfs/dbraw/zinc/09/54/22/1070095422.db2.gz HRKBEINUJGMIFI-MRXNPFEDSA-N 0 0 454.528 -0.102 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNS(C)(=O)=O)CCO1 ZINC001299146230 1070095247 /nfs/dbraw/zinc/09/52/47/1070095247.db2.gz HRSOOTSXZYGDIX-INIZCTEOSA-N 0 0 454.528 -0.102 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNS(C)(=O)=O)CCO1 ZINC001299146232 1070095670 /nfs/dbraw/zinc/09/56/70/1070095670.db2.gz HRSOOTSXZYGDIX-MRXNPFEDSA-N 0 0 454.528 -0.102 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)CCO1 ZINC001299146434 1070095633 /nfs/dbraw/zinc/09/56/33/1070095633.db2.gz LCDRGHUBHRREOQ-CVEARBPZSA-N 0 0 456.569 -0.248 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)CCO1 ZINC001299146435 1070095340 /nfs/dbraw/zinc/09/53/40/1070095340.db2.gz LCDRGHUBHRREOQ-HOTGVXAUSA-N 0 0 456.569 -0.248 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)CCO1 ZINC001299146437 1070095898 /nfs/dbraw/zinc/09/58/98/1070095898.db2.gz LCDRGHUBHRREOQ-HZPDHXFCSA-N 0 0 456.569 -0.248 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)CCO1 ZINC001299146439 1070096068 /nfs/dbraw/zinc/09/60/68/1070096068.db2.gz LCDRGHUBHRREOQ-JKSUJKDBSA-N 0 0 456.569 -0.248 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(C)C)CCO1 ZINC001299146441 1070096151 /nfs/dbraw/zinc/09/61/51/1070096151.db2.gz LCILRPBRXZOLTJ-CABCVRRESA-N 0 0 476.625 -0.296 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(C)C)CCO1 ZINC001299146443 1070095983 /nfs/dbraw/zinc/09/59/83/1070095983.db2.gz LCILRPBRXZOLTJ-GJZGRUSLSA-N 0 0 476.625 -0.296 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(C)C)CCO1 ZINC001299146445 1070096168 /nfs/dbraw/zinc/09/61/68/1070096168.db2.gz LCILRPBRXZOLTJ-HUUCEWRRSA-N 0 0 476.625 -0.296 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(C)C)CCO1 ZINC001299146447 1070095958 /nfs/dbraw/zinc/09/59/58/1070095958.db2.gz LCILRPBRXZOLTJ-LSDHHAIUSA-N 0 0 476.625 -0.296 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 ZINC001299146872 1070096102 /nfs/dbraw/zinc/09/61/02/1070096102.db2.gz MUBFZPQYEXKDDG-HZSPNIEDSA-N 0 0 454.553 -0.954 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 ZINC001299146874 1070095912 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/nfs/dbraw/zinc/09/62/02/1070096202.db2.gz NJGLXXILYFAOSI-WMLDXEAASA-N 0 0 463.564 -0.359 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)CCO1 ZINC001299146942 1070096019 /nfs/dbraw/zinc/09/60/19/1070096019.db2.gz NJGLXXILYFAOSI-YOEHRIQHSA-N 0 0 463.564 -0.359 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCOCCS(C)(=O)=O)CCO1 ZINC001299147276 1070096231 /nfs/dbraw/zinc/09/62/31/1070096231.db2.gz KSHNXJMSGCOJBR-INIZCTEOSA-N 0 0 452.537 -0.724 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2CCOCCS(C)(=O)=O)CCO1 ZINC001299147277 1070095999 /nfs/dbraw/zinc/09/59/99/1070095999.db2.gz KSHNXJMSGCOJBR-MRXNPFEDSA-N 0 0 452.537 -0.724 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)CCO1 ZINC001299147737 1070096675 /nfs/dbraw/zinc/09/66/75/1070096675.db2.gz QPFMUMGPGIECOH-CVEARBPZSA-N 0 0 484.604 -0.134 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 ZINC001299147738 1070096548 /nfs/dbraw/zinc/09/65/48/1070096548.db2.gz NZIXRIPVVDGCKZ-DOTOQJQBSA-N 0 0 463.564 -0.503 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)CCO1 ZINC001299147740 1070096658 /nfs/dbraw/zinc/09/66/58/1070096658.db2.gz QPFMUMGPGIECOH-HOTGVXAUSA-N 0 0 484.604 -0.134 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 ZINC001299147741 1070096485 /nfs/dbraw/zinc/09/64/85/1070096485.db2.gz NZIXRIPVVDGCKZ-NVXWUHKLSA-N 0 0 463.564 -0.503 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)CCO1 ZINC001299147743 1070096755 /nfs/dbraw/zinc/09/67/55/1070096755.db2.gz QPFMUMGPGIECOH-HZPDHXFCSA-N 0 0 484.604 -0.134 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 ZINC001299147744 1070096770 /nfs/dbraw/zinc/09/67/70/1070096770.db2.gz NZIXRIPVVDGCKZ-RDJZCZTQSA-N 0 0 463.564 -0.503 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)CCO1 ZINC001299147745 1070096564 /nfs/dbraw/zinc/09/65/64/1070096564.db2.gz QPFMUMGPGIECOH-JKSUJKDBSA-N 0 0 484.604 -0.134 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 ZINC001299147747 1070096692 /nfs/dbraw/zinc/09/66/92/1070096692.db2.gz NZIXRIPVVDGCKZ-WBVHZDCISA-N 0 0 463.564 -0.503 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)CCO1 ZINC001299147830 1070096608 /nfs/dbraw/zinc/09/66/08/1070096608.db2.gz QUDXTKCYLRTSKE-DLBZAZTESA-N 0 0 482.563 -0.180 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)CCO1 ZINC001299147835 1070096708 /nfs/dbraw/zinc/09/67/08/1070096708.db2.gz QUDXTKCYLRTSKE-IAGOWNOFSA-N 0 0 482.563 -0.180 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)CCO1 ZINC001299147836 1070096808 /nfs/dbraw/zinc/09/68/08/1070096808.db2.gz QUDXTKCYLRTSKE-IRXDYDNUSA-N 0 0 482.563 -0.180 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)CCO1 ZINC001299147838 1070096625 /nfs/dbraw/zinc/09/66/25/1070096625.db2.gz QUDXTKCYLRTSKE-SJORKVTESA-N 0 0 482.563 -0.180 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)CCO1 ZINC001299148183 1070096513 /nfs/dbraw/zinc/09/65/13/1070096513.db2.gz SBCVIJCMVXDXAP-CVEARBPZSA-N 0 0 466.520 -0.709 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)CCO1 ZINC001299148186 1070096826 /nfs/dbraw/zinc/09/68/26/1070096826.db2.gz SBCVIJCMVXDXAP-HOTGVXAUSA-N 0 0 466.520 -0.709 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)CCO1 ZINC001299148188 1070096640 /nfs/dbraw/zinc/09/66/40/1070096640.db2.gz SBCVIJCMVXDXAP-HZPDHXFCSA-N 0 0 466.520 -0.709 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)CCO1 ZINC001299148194 1070096593 /nfs/dbraw/zinc/09/65/93/1070096593.db2.gz SBCVIJCMVXDXAP-JKSUJKDBSA-N 0 0 466.520 -0.709 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)CCO1 ZINC001299148254 1070096739 /nfs/dbraw/zinc/09/67/39/1070096739.db2.gz SHKAVZFJNKWWCU-PBHICJAKSA-N 0 0 494.549 -0.300 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)CCO1 ZINC001299148256 1070096531 /nfs/dbraw/zinc/09/65/31/1070096531.db2.gz SHKAVZFJNKWWCU-RHSMWYFYSA-N 0 0 494.549 -0.300 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)CCO1 ZINC001299148259 1070096790 /nfs/dbraw/zinc/09/67/90/1070096790.db2.gz SHKAVZFJNKWWCU-WMLDXEAASA-N 0 0 494.549 -0.300 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)CCO1 ZINC001299148262 1070096725 /nfs/dbraw/zinc/09/67/25/1070096725.db2.gz SHKAVZFJNKWWCU-YOEHRIQHSA-N 0 0 494.549 -0.300 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)CCO1 ZINC001299148465 1070097381 /nfs/dbraw/zinc/09/73/81/1070097381.db2.gz SPLNXPXGPDRLRY-CVEARBPZSA-N 0 0 466.520 -0.709 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)CCO1 ZINC001299148467 1070097260 /nfs/dbraw/zinc/09/72/60/1070097260.db2.gz SPLNXPXGPDRLRY-HOTGVXAUSA-N 0 0 466.520 -0.709 20 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CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001299317230 1068481227 /nfs/dbraw/zinc/48/12/27/1068481227.db2.gz MNKICIJAQJCBPG-LJQANCHMSA-N 0 0 456.569 -0.276 20 0 JBADRN CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001299317236 1068481027 /nfs/dbraw/zinc/48/10/27/1068481027.db2.gz MQATVMWXGMMTHO-UHFFFAOYSA-N 0 0 463.568 -0.625 20 0 JBADRN CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001299317326 1068480980 /nfs/dbraw/zinc/48/09/80/1068480980.db2.gz OPARRWONGQGMDL-HNNXBMFYSA-N 0 0 453.569 -0.459 20 0 JBADRN CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001299317327 1068481149 /nfs/dbraw/zinc/48/11/49/1068481149.db2.gz OPARRWONGQGMDL-OAHLLOKOSA-N 0 0 453.569 -0.459 20 0 JBADRN CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001299317658 1068481087 /nfs/dbraw/zinc/48/10/87/1068481087.db2.gz PXQVFBAGPCSCRE-UHFFFAOYSA-N 0 0 488.640 -0.451 20 0 JBADRN COCC(COC)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001299317876 1068481103 /nfs/dbraw/zinc/48/11/03/1068481103.db2.gz DFEQYYWATLPJEL-BHIYHBOVSA-N 0 0 459.609 -0.098 20 0 JBADRN COCC(COC)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001299317878 1068481204 /nfs/dbraw/zinc/48/12/04/1068481204.db2.gz DFEQYYWATLPJEL-NZSAHSFTSA-N 0 0 459.609 -0.098 20 0 JBADRN COCC(COC)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001299317881 1068481165 /nfs/dbraw/zinc/48/11/65/1068481165.db2.gz DFEQYYWATLPJEL-QXAKKESOSA-N 0 0 459.609 -0.098 20 0 JBADRN COCC(COC)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001299317883 1068481889 /nfs/dbraw/zinc/48/18/89/1068481889.db2.gz DFEQYYWATLPJEL-YTQUADARSA-N 0 0 459.609 -0.098 20 0 JBADRN CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001299318113 1068482116 /nfs/dbraw/zinc/48/21/16/1068482116.db2.gz SIFPQHISSLGXNG-UHFFFAOYSA-N 0 0 467.596 -0.069 20 0 JBADRN CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001299318177 1068482094 /nfs/dbraw/zinc/48/20/94/1068482094.db2.gz UILVFMIJWYHRNC-UHFFFAOYSA-N 0 0 466.568 -0.432 20 0 JBADRN CNS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001299318786 1068482104 /nfs/dbraw/zinc/48/21/04/1068482104.db2.gz XIVXBLFRVZKJHD-INIZCTEOSA-N 0 0 486.620 -0.081 20 0 JBADRN CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001299319077 1068482062 /nfs/dbraw/zinc/48/20/62/1068482062.db2.gz ZKJFMWYHNALUIJ-UHFFFAOYSA-N 0 0 481.604 -0.026 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322260 1068627559 /nfs/dbraw/zinc/62/75/59/1068627559.db2.gz AGUPBDAFTKNLND-IBGZPJMESA-N 0 0 458.585 -0.027 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322261 1068627418 /nfs/dbraw/zinc/62/74/18/1068627418.db2.gz AGUPBDAFTKNLND-LJQANCHMSA-N 0 0 458.585 -0.027 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001299322262 1068628154 /nfs/dbraw/zinc/62/81/54/1068628154.db2.gz AGVMZLHRJDEGQC-KKUMJFAQSA-N 0 0 465.598 -0.435 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001299322263 1068628233 /nfs/dbraw/zinc/62/82/33/1068628233.db2.gz AGVMZLHRJDEGQC-ZNMIVQPWSA-N 0 0 465.598 -0.435 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001299322354 1068628201 /nfs/dbraw/zinc/62/82/01/1068628201.db2.gz BWQLBFVPXVBGKN-RDJZCZTQSA-N 0 0 485.611 -0.065 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001299322605 1068628228 /nfs/dbraw/zinc/62/82/28/1068628228.db2.gz FWBQXXPCHJHLRZ-HUUCEWRRSA-N 0 0 462.598 -0.317 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001299322606 1068628265 /nfs/dbraw/zinc/62/82/65/1068628265.db2.gz FWBQXXPCHJHLRZ-LSDHHAIUSA-N 0 0 462.598 -0.317 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322614 1068628191 /nfs/dbraw/zinc/62/81/91/1068628191.db2.gz GFXZXQSAPVBTLL-PBHICJAKSA-N 0 0 465.598 -0.509 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322618 1068628237 /nfs/dbraw/zinc/62/82/37/1068628237.db2.gz GFXZXQSAPVBTLL-RHSMWYFYSA-N 0 0 465.598 -0.509 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322620 1068628243 /nfs/dbraw/zinc/62/82/43/1068628243.db2.gz GFXZXQSAPVBTLL-WMLDXEAASA-N 0 0 465.598 -0.509 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322622 1068628184 /nfs/dbraw/zinc/62/81/84/1068628184.db2.gz GFXZXQSAPVBTLL-YOEHRIQHSA-N 0 0 465.598 -0.509 20 0 JBADRN CNS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 ZINC001299322649 1068628259 /nfs/dbraw/zinc/62/82/59/1068628259.db2.gz RNCMFHRLXUQBLD-UHFFFAOYSA-N 0 0 470.527 -0.160 20 0 JBADRN CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001299322678 1068628222 /nfs/dbraw/zinc/62/82/22/1068628222.db2.gz SCBVOYGFMRHHRN-CYBMUJFWSA-N 0 0 482.592 -0.625 20 0 JBADRN CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001299322679 1068628176 /nfs/dbraw/zinc/62/81/76/1068628176.db2.gz SCBVOYGFMRHHRN-ZDUSSCGKSA-N 0 0 482.592 -0.625 20 0 JBADRN COC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCOCCS(C)(=O)=O)C1 ZINC001299322783 1068628169 /nfs/dbraw/zinc/62/81/69/1068628169.db2.gz GUVQNBVLZRODGZ-HNNXBMFYSA-N 0 0 457.553 -0.035 20 0 JBADRN COC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCOCCS(C)(=O)=O)C1 ZINC001299322795 1068628255 /nfs/dbraw/zinc/62/82/55/1068628255.db2.gz GUVQNBVLZRODGZ-OAHLLOKOSA-N 0 0 457.553 -0.035 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001299322822 1068628249 /nfs/dbraw/zinc/62/82/49/1068628249.db2.gz HCPXUDOIXBUHLI-HWMZRRJGSA-N 0 0 456.569 -0.201 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001299322823 1068628212 /nfs/dbraw/zinc/62/82/12/1068628212.db2.gz HCPXUDOIXBUHLI-IVSAIRAKSA-N 0 0 456.569 -0.201 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001299322824 1068628209 /nfs/dbraw/zinc/62/82/09/1068628209.db2.gz HCPXUDOIXBUHLI-JKQORVJESA-N 0 0 456.569 -0.201 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001299322826 1068628217 /nfs/dbraw/zinc/62/82/17/1068628217.db2.gz HCPXUDOIXBUHLI-MPTYRVRUSA-N 0 0 456.569 -0.201 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322836 1068628268 /nfs/dbraw/zinc/62/82/68/1068628268.db2.gz HFMPYNDPFLQCFS-APWZRJJASA-N 0 0 458.585 -0.027 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322837 1068628204 /nfs/dbraw/zinc/62/82/04/1068628204.db2.gz HFMPYNDPFLQCFS-LPHOPBHVSA-N 0 0 458.585 -0.027 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322838 1068628647 /nfs/dbraw/zinc/62/86/47/1068628647.db2.gz HFMPYNDPFLQCFS-QFBILLFUSA-N 0 0 458.585 -0.027 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322841 1068628754 /nfs/dbraw/zinc/62/87/54/1068628754.db2.gz HFMPYNDPFLQCFS-VQIMIIECSA-N 0 0 458.585 -0.027 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322851 1068628657 /nfs/dbraw/zinc/62/86/57/1068628657.db2.gz HRVZPWLNYGHWFK-MOPGFXCFSA-N 0 0 456.569 -0.416 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322852 1068628773 /nfs/dbraw/zinc/62/87/73/1068628773.db2.gz HRVZPWLNYGHWFK-OALUTQOASA-N 0 0 456.569 -0.416 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322853 1068628567 /nfs/dbraw/zinc/62/85/67/1068628567.db2.gz HRVZPWLNYGHWFK-RBUKOAKNSA-N 0 0 456.569 -0.416 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322854 1068628606 /nfs/dbraw/zinc/62/86/06/1068628606.db2.gz HRVZPWLNYGHWFK-RTBURBONSA-N 0 0 456.569 -0.416 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322873 1068628763 /nfs/dbraw/zinc/62/87/63/1068628763.db2.gz IFFIHMSOZAZETP-BEFAXECRSA-N 0 0 456.569 -0.321 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322874 1068628721 /nfs/dbraw/zinc/62/87/21/1068628721.db2.gz IFFIHMSOZAZETP-DNVCBOLYSA-N 0 0 456.569 -0.321 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322875 1068628579 /nfs/dbraw/zinc/62/85/79/1068628579.db2.gz IFFIHMSOZAZETP-HNAYVOBHSA-N 0 0 456.569 -0.321 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322877 1068628631 /nfs/dbraw/zinc/62/86/31/1068628631.db2.gz IFFIHMSOZAZETP-KXBFYZLASA-N 0 0 456.569 -0.321 20 0 JBADRN CNS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001299322931 1068628737 /nfs/dbraw/zinc/62/87/37/1068628737.db2.gz UGRGASSHUGLERW-UHFFFAOYSA-N 0 0 488.592 -0.504 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCC3(CNC(=O)C3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299323078 1068628546 /nfs/dbraw/zinc/62/85/46/1068628546.db2.gz JESMCGFESRBTNM-FQEVSTJZSA-N 0 0 470.596 -0.026 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CCC3(CNC(=O)C3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299323080 1068628770 /nfs/dbraw/zinc/62/87/70/1068628770.db2.gz JESMCGFESRBTNM-HXUWFJFHSA-N 0 0 470.596 -0.026 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001299323155 1068628623 /nfs/dbraw/zinc/62/86/23/1068628623.db2.gz KVVGSPPQQPIULX-IHRRRGAJSA-N 0 0 451.571 -0.825 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001299323158 1068628677 /nfs/dbraw/zinc/62/86/77/1068628677.db2.gz KVVGSPPQQPIULX-MJBXVCDLSA-N 0 0 451.571 -0.825 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001299323210 1068628703 /nfs/dbraw/zinc/62/87/03/1068628703.db2.gz LVYYNQYAEGHJNS-DEYYWGMASA-N 0 0 458.541 -0.418 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001299323215 1068628523 /nfs/dbraw/zinc/62/85/23/1068628523.db2.gz LVYYNQYAEGHJNS-SUNYJGFJSA-N 0 0 458.541 -0.418 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299323336 1068628715 /nfs/dbraw/zinc/62/87/15/1068628715.db2.gz NLWBRPFQUOHENF-GQIGUUNPSA-N 0 0 470.596 -0.170 20 0 JBADRN CNS(=O)(=O)CCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299323337 1068628591 /nfs/dbraw/zinc/62/85/91/1068628591.db2.gz NLWBRPFQUOHENF-GUXCAODWSA-N 0 0 470.596 -0.170 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001299325072 1068629283 /nfs/dbraw/zinc/62/92/83/1068629283.db2.gz VVVGXYBOBNAANP-KKUMJFAQSA-N 0 0 460.557 -0.172 20 0 JBADRN COC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001299325089 1068629431 /nfs/dbraw/zinc/62/94/31/1068629431.db2.gz FDRNPKRMQIVWOP-DOTOQJQBSA-N 0 0 485.611 -0.558 20 0 JBADRN COC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001299325090 1068629445 /nfs/dbraw/zinc/62/94/45/1068629445.db2.gz FDRNPKRMQIVWOP-NVXWUHKLSA-N 0 0 485.611 -0.558 20 0 JBADRN COC(=O)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001299325094 1068629526 /nfs/dbraw/zinc/62/95/26/1068629526.db2.gz FDRNPKRMQIVWOP-RDJZCZTQSA-N 0 0 485.611 -0.558 20 0 JBADRN COC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001299325095 1068629400 /nfs/dbraw/zinc/62/94/00/1068629400.db2.gz FDRNPKRMQIVWOP-WBVHZDCISA-N 0 0 485.611 -0.558 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001299325873 1068628694 /nfs/dbraw/zinc/62/86/94/1068628694.db2.gz YINVSWHHGHCUKW-HZMVEIRTSA-N 0 0 459.569 -0.065 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001299325875 1068629371 /nfs/dbraw/zinc/62/93/71/1068629371.db2.gz YINVSWHHGHCUKW-NXOAAHMSSA-N 0 0 459.569 -0.065 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001299325877 1068629475 /nfs/dbraw/zinc/62/94/75/1068629475.db2.gz YINVSWHHGHCUKW-QAETUUGQSA-N 0 0 459.569 -0.065 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001299325881 1068629295 /nfs/dbraw/zinc/62/92/95/1068629295.db2.gz YINVSWHHGHCUKW-YVSFHVDLSA-N 0 0 459.569 -0.065 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001299325952 1068629520 /nfs/dbraw/zinc/62/95/20/1068629520.db2.gz ZBGJSHGYHFJVRR-IHRRRGAJSA-N 0 0 451.571 -0.825 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001299325953 1068629381 /nfs/dbraw/zinc/62/93/81/1068629381.db2.gz ZBGJSHGYHFJVRR-MJBXVCDLSA-N 0 0 451.571 -0.825 20 0 JBADRN 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COC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C1 ZINC001301276016 1070118002 /nfs/dbraw/zinc/11/80/02/1070118002.db2.gz PLLVQOZIUWILQR-ZIAGYGMSSA-N 0 0 480.538 -0.145 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001301291271 1070118730 /nfs/dbraw/zinc/11/87/30/1070118730.db2.gz SSYBNIUBWXGIKS-QLFBSQMISA-N 0 0 464.614 -0.358 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001301291272 1070118879 /nfs/dbraw/zinc/11/88/79/1070118879.db2.gz SSYBNIUBWXGIKS-RBSFLKMASA-N 0 0 464.614 -0.358 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001301291273 1070118985 /nfs/dbraw/zinc/11/89/85/1070118985.db2.gz SSYBNIUBWXGIKS-RRFJBIMHSA-N 0 0 464.614 -0.358 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001301291274 1070118958 /nfs/dbraw/zinc/11/89/58/1070118958.db2.gz SSYBNIUBWXGIKS-SOUVJXGZSA-N 0 0 464.614 -0.358 20 0 JBADRN COCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001301291683 1070118819 /nfs/dbraw/zinc/11/88/19/1070118819.db2.gz SYLGBHPWURAQPR-INIZCTEOSA-N 0 0 471.628 -0.085 20 0 JBADRN COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001301291684 1070118797 /nfs/dbraw/zinc/11/87/97/1070118797.db2.gz SYLGBHPWURAQPR-MRXNPFEDSA-N 0 0 471.628 -0.085 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001301321322 1070118869 /nfs/dbraw/zinc/11/88/69/1070118869.db2.gz JUISCTZOEGNJCT-DLBZAZTESA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001301321323 1070118947 /nfs/dbraw/zinc/11/89/47/1070118947.db2.gz JUISCTZOEGNJCT-IAGOWNOFSA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001301321324 1070118953 /nfs/dbraw/zinc/11/89/53/1070118953.db2.gz JUISCTZOEGNJCT-IRXDYDNUSA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001301321325 1070118759 /nfs/dbraw/zinc/11/87/59/1070118759.db2.gz JUISCTZOEGNJCT-SJORKVTESA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001301321534 1070118926 /nfs/dbraw/zinc/11/89/26/1070118926.db2.gz MAHYMHFPUTYWFI-MOPGFXCFSA-N 0 0 499.638 -0.752 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001301321537 1070118837 /nfs/dbraw/zinc/11/88/37/1070118837.db2.gz MAHYMHFPUTYWFI-OALUTQOASA-N 0 0 499.638 -0.752 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001301321538 1070118979 /nfs/dbraw/zinc/11/89/79/1070118979.db2.gz MAHYMHFPUTYWFI-RBUKOAKNSA-N 0 0 499.638 -0.752 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001301321539 1070118900 /nfs/dbraw/zinc/11/89/00/1070118900.db2.gz MAHYMHFPUTYWFI-RTBURBONSA-N 0 0 499.638 -0.752 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)CC2CC2)C1 ZINC001301321542 1070118964 /nfs/dbraw/zinc/11/89/64/1070118964.db2.gz MBLRWWAUVWCFNC-DLBZAZTESA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)CC2CC2)C1 ZINC001301321543 1070118935 /nfs/dbraw/zinc/11/89/35/1070118935.db2.gz MBLRWWAUVWCFNC-IAGOWNOFSA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)CC2CC2)C1 ZINC001301321544 1070118919 /nfs/dbraw/zinc/11/89/19/1070118919.db2.gz MBLRWWAUVWCFNC-IRXDYDNUSA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)CC2CC2)C1 ZINC001301321545 1070118971 /nfs/dbraw/zinc/11/89/71/1070118971.db2.gz MBLRWWAUVWCFNC-SJORKVTESA-N 0 0 491.636 -0.092 20 0 JBADRN COCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNS(C)(=O)=O)CC1 ZINC001301322782 1070118889 /nfs/dbraw/zinc/11/88/89/1070118889.db2.gz SHKNLLBWYOOMIU-INIZCTEOSA-N 0 0 494.640 -0.587 20 0 JBADRN COCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNS(C)(=O)=O)CC1 ZINC001301322785 1070118942 /nfs/dbraw/zinc/11/89/42/1070118942.db2.gz SHKNLLBWYOOMIU-MRXNPFEDSA-N 0 0 494.640 -0.587 20 0 JBADRN COCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001301324178 1070119817 /nfs/dbraw/zinc/11/98/17/1070119817.db2.gz VHGHMSDLQXGICU-JXFKEZNVSA-N 0 0 470.596 -0.048 20 0 JBADRN COCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001301324180 1070119740 /nfs/dbraw/zinc/11/97/40/1070119740.db2.gz VHGHMSDLQXGICU-OXJNMPFZSA-N 0 0 470.596 -0.048 20 0 JBADRN COCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001301324182 1070119758 /nfs/dbraw/zinc/11/97/58/1070119758.db2.gz VHGHMSDLQXGICU-OXQOHEQNSA-N 0 0 470.596 -0.048 20 0 JBADRN COCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001301324185 1070119827 /nfs/dbraw/zinc/11/98/27/1070119827.db2.gz VHGHMSDLQXGICU-UZLBHIALSA-N 0 0 470.596 -0.048 20 0 JBADRN COCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 ZINC001301324187 1070119674 /nfs/dbraw/zinc/11/96/74/1070119674.db2.gz VHYGRKJLMKSCAN-IAGOWNOFSA-N 0 0 459.569 -0.111 20 0 JBADRN COCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 ZINC001301324189 1070119649 /nfs/dbraw/zinc/11/96/49/1070119649.db2.gz VHYGRKJLMKSCAN-SJORKVTESA-N 0 0 459.569 -0.111 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001301324594 1070119806 /nfs/dbraw/zinc/11/98/06/1070119806.db2.gz WVNKFQDSIHNJIY-CVEARBPZSA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001301324595 1070119570 /nfs/dbraw/zinc/11/95/70/1070119570.db2.gz WVNKFQDSIHNJIY-HOTGVXAUSA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001301324596 1070119706 /nfs/dbraw/zinc/11/97/06/1070119706.db2.gz WVNKFQDSIHNJIY-HZPDHXFCSA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001301324597 1070119872 /nfs/dbraw/zinc/11/98/72/1070119872.db2.gz WVNKFQDSIHNJIY-JKSUJKDBSA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 ZINC001301344526 1070119861 /nfs/dbraw/zinc/11/98/61/1070119861.db2.gz OUJDRQABNGWDHL-CVEARBPZSA-N 0 0 471.580 -0.306 20 0 JBADRN COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H](C)O1 ZINC001301344529 1070119631 /nfs/dbraw/zinc/11/96/31/1070119631.db2.gz OUJDRQABNGWDHL-HOTGVXAUSA-N 0 0 471.580 -0.306 20 0 JBADRN COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 ZINC001301344532 1070119854 /nfs/dbraw/zinc/11/98/54/1070119854.db2.gz OUJDRQABNGWDHL-HZPDHXFCSA-N 0 0 471.580 -0.306 20 0 JBADRN COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H](C)O1 ZINC001301344537 1070119540 /nfs/dbraw/zinc/11/95/40/1070119540.db2.gz OUJDRQABNGWDHL-JKSUJKDBSA-N 0 0 471.580 -0.306 20 0 JBADRN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N(CCN2CCOCC2)CC2CC2)c1 ZINC001301346454 1070120687 /nfs/dbraw/zinc/12/06/87/1070120687.db2.gz CJFBUQUETICPME-UHFFFAOYSA-N 0 0 459.590 -0.061 20 0 JBADRN COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001301348768 1070120620 /nfs/dbraw/zinc/12/06/20/1070120620.db2.gz YWBMBIPVQKORGB-AEFFLSMTSA-N 0 0 451.572 -0.180 20 0 JBADRN COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001301348769 1070120646 /nfs/dbraw/zinc/12/06/46/1070120646.db2.gz YWBMBIPVQKORGB-FUHWJXTLSA-N 0 0 451.572 -0.180 20 0 JBADRN COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001301348770 1070120651 /nfs/dbraw/zinc/12/06/51/1070120651.db2.gz YWBMBIPVQKORGB-SJLPKXTDSA-N 0 0 451.572 -0.180 20 0 JBADRN COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001301348771 1070120609 /nfs/dbraw/zinc/12/06/09/1070120609.db2.gz YWBMBIPVQKORGB-WMZOPIPTSA-N 0 0 451.572 -0.180 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001301352069 1070120712 /nfs/dbraw/zinc/12/07/12/1070120712.db2.gz HPVKFUMCAGSWIN-BQFCYCMXSA-N 0 0 487.627 -0.708 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001301352070 1070120672 /nfs/dbraw/zinc/12/06/72/1070120672.db2.gz HPVKFUMCAGSWIN-JZXOWHBKSA-N 0 0 487.627 -0.708 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001301352071 1070120581 /nfs/dbraw/zinc/12/05/81/1070120581.db2.gz HPVKFUMCAGSWIN-NUJGCVRESA-N 0 0 487.627 -0.708 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001301352072 1070120527 /nfs/dbraw/zinc/12/05/27/1070120527.db2.gz HPVKFUMCAGSWIN-RYRKJORJSA-N 0 0 487.627 -0.708 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001301352477 1070120547 /nfs/dbraw/zinc/12/05/47/1070120547.db2.gz NISUNAPYHARQCN-IHRRRGAJSA-N 0 0 465.598 -0.294 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC001301352478 1070120703 /nfs/dbraw/zinc/12/07/03/1070120703.db2.gz NISUNAPYHARQCN-MCIONIFRSA-N 0 0 465.598 -0.294 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001301352479 1070120604 /nfs/dbraw/zinc/12/06/04/1070120604.db2.gz NISUNAPYHARQCN-MJBXVCDLSA-N 0 0 465.598 -0.294 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC001301352480 1070120569 /nfs/dbraw/zinc/12/05/69/1070120569.db2.gz NISUNAPYHARQCN-RDBSUJKOSA-N 0 0 465.598 -0.294 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2(=O)=O)CCO1 ZINC001301353355 1070120658 /nfs/dbraw/zinc/12/06/58/1070120658.db2.gz XMQFFSQWXZSXJW-ILXRZTDVSA-N 0 0 465.598 -0.293 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2(=O)=O)CCO1 ZINC001301353356 1070120628 /nfs/dbraw/zinc/12/06/28/1070120628.db2.gz XMQFFSQWXZSXJW-KKUMJFAQSA-N 0 0 465.598 -0.293 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2(=O)=O)CCO1 ZINC001301353357 1070120556 /nfs/dbraw/zinc/12/05/56/1070120556.db2.gz XMQFFSQWXZSXJW-QLFBSQMISA-N 0 0 465.598 -0.293 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2(=O)=O)CCO1 ZINC001301353358 1070120666 /nfs/dbraw/zinc/12/06/66/1070120666.db2.gz XMQFFSQWXZSXJW-SOUVJXGZSA-N 0 0 465.598 -0.293 20 0 JBADRN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cn1C ZINC001301355874 1070120634 /nfs/dbraw/zinc/12/06/34/1070120634.db2.gz FEDKDKMETIWNGT-UHFFFAOYSA-N 0 0 452.512 -0.016 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC001301387824 1070120683 /nfs/dbraw/zinc/12/06/83/1070120683.db2.gz LTEFGUNUCOSCSA-HRCADAONSA-N 0 0 488.636 -0.152 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC001301387825 1070120591 /nfs/dbraw/zinc/12/05/91/1070120591.db2.gz LTEFGUNUCOSCSA-JYJNAYRXSA-N 0 0 488.636 -0.152 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C[C@@H](C)O1 ZINC001301387826 1070121357 /nfs/dbraw/zinc/12/13/57/1070121357.db2.gz LTEFGUNUCOSCSA-OWCLPIDISA-N 0 0 488.636 -0.152 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)C[C@@H](C)O1 ZINC001301387827 1070121491 /nfs/dbraw/zinc/12/14/91/1070121491.db2.gz LTEFGUNUCOSCSA-PMPSAXMXSA-N 0 0 488.636 -0.152 20 0 JBADRN COC[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC(C)(C)C)CCO1 ZINC001301388724 1070121437 /nfs/dbraw/zinc/12/14/37/1070121437.db2.gz BPQPPMYLJHVFRT-CVEARBPZSA-N 0 0 488.611 -0.233 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC(C)(C)C)CCO1 ZINC001301388725 1070121380 /nfs/dbraw/zinc/12/13/80/1070121380.db2.gz BPQPPMYLJHVFRT-HOTGVXAUSA-N 0 0 488.611 -0.233 20 0 JBADRN COC[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC(C)(C)C)CCO1 ZINC001301388726 1070121414 /nfs/dbraw/zinc/12/14/14/1070121414.db2.gz BPQPPMYLJHVFRT-HZPDHXFCSA-N 0 0 488.611 -0.233 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC(C)(C)C)CCO1 ZINC001301388727 1070121506 /nfs/dbraw/zinc/12/15/06/1070121506.db2.gz BPQPPMYLJHVFRT-JKSUJKDBSA-N 0 0 488.611 -0.233 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001301390741 1070121459 /nfs/dbraw/zinc/12/14/59/1070121459.db2.gz JNCWDEQMCKXFHZ-NEPJUHHUSA-N 0 0 455.459 -0.290 20 0 JBADRN COC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001301390744 1070121406 /nfs/dbraw/zinc/12/14/06/1070121406.db2.gz JNCWDEQMCKXFHZ-NWDGAFQWSA-N 0 0 455.459 -0.290 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001301390746 1070121480 /nfs/dbraw/zinc/12/14/80/1070121480.db2.gz JNCWDEQMCKXFHZ-RYUDHWBXSA-N 0 0 455.459 -0.290 20 0 JBADRN COC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001301390749 1070121412 /nfs/dbraw/zinc/12/14/12/1070121412.db2.gz JNCWDEQMCKXFHZ-VXGBXAGGSA-N 0 0 455.459 -0.290 20 0 JBADRN COC[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)CCO1 ZINC001301390848 1070121292 /nfs/dbraw/zinc/12/12/92/1070121292.db2.gz KPWSBXGTTCJXBD-CVEARBPZSA-N 0 0 474.584 -0.669 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)CCO1 ZINC001301390849 1070121498 /nfs/dbraw/zinc/12/14/98/1070121498.db2.gz KPWSBXGTTCJXBD-HOTGVXAUSA-N 0 0 474.584 -0.669 20 0 JBADRN COC[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)CCO1 ZINC001301390850 1070121472 /nfs/dbraw/zinc/12/14/72/1070121472.db2.gz KPWSBXGTTCJXBD-HZPDHXFCSA-N 0 0 474.584 -0.669 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)CCO1 ZINC001301390851 1070121343 /nfs/dbraw/zinc/12/13/43/1070121343.db2.gz KPWSBXGTTCJXBD-JKSUJKDBSA-N 0 0 474.584 -0.669 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCOC2)CCO1 ZINC001301392531 1070121509 /nfs/dbraw/zinc/12/15/09/1070121509.db2.gz OKJMPLKHBXVUMH-IKGGRYGDSA-N 0 0 459.569 -0.111 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCOC2)CCO1 ZINC001301392534 1070121368 /nfs/dbraw/zinc/12/13/68/1070121368.db2.gz OKJMPLKHBXVUMH-IXDOHACOSA-N 0 0 459.569 -0.111 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCOC2)CCO1 ZINC001301392562 1070121402 /nfs/dbraw/zinc/12/14/02/1070121402.db2.gz OKJMPLKHBXVUMH-ULQDDVLXSA-N 0 0 459.569 -0.111 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCOC2)CCO1 ZINC001301392563 1070121446 /nfs/dbraw/zinc/12/14/46/1070121446.db2.gz OKJMPLKHBXVUMH-YESZJQIVSA-N 0 0 459.569 -0.111 20 0 JBADRN COC[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCC2)CCO1 ZINC001301392592 1070121314 /nfs/dbraw/zinc/12/13/14/1070121314.db2.gz OXEKBCIGODILAQ-CVEARBPZSA-N 0 0 459.569 -0.232 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCC2)CCO1 ZINC001301392650 1070121424 /nfs/dbraw/zinc/12/14/24/1070121424.db2.gz OXEKBCIGODILAQ-HOTGVXAUSA-N 0 0 459.569 -0.232 20 0 JBADRN COC[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCC2)CCO1 ZINC001301392652 1070122187 /nfs/dbraw/zinc/12/21/87/1070122187.db2.gz OXEKBCIGODILAQ-HZPDHXFCSA-N 0 0 459.569 -0.232 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCC2)CCO1 ZINC001301392654 1070122298 /nfs/dbraw/zinc/12/22/98/1070122298.db2.gz OXEKBCIGODILAQ-JKSUJKDBSA-N 0 0 459.569 -0.232 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001301393971 1070122163 /nfs/dbraw/zinc/12/21/63/1070122163.db2.gz SEEOFVPTTZYNDY-NEWSRXKRSA-N 0 0 484.623 -0.416 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001301393972 1070122113 /nfs/dbraw/zinc/12/21/13/1070122113.db2.gz SEEOFVPTTZYNDY-QRQLOZEOSA-N 0 0 484.623 -0.416 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001301393973 1070122260 /nfs/dbraw/zinc/12/22/60/1070122260.db2.gz SEEOFVPTTZYNDY-UHOSZYNNSA-N 0 0 484.623 -0.416 20 0 JBADRN 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CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001303397735 1070245378 /nfs/dbraw/zinc/24/53/78/1070245378.db2.gz NSGYOBVDZATLNI-WBVHZDCISA-N 0 0 461.567 -0.105 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCN1CCOC(C)(C)C1 ZINC001303397751 1070245407 /nfs/dbraw/zinc/24/54/07/1070245407.db2.gz OGTQUKQBTIRYLD-UHFFFAOYSA-N 0 0 490.609 -0.546 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001303397848 1070245609 /nfs/dbraw/zinc/24/56/09/1070245609.db2.gz MNXDKZFCPCWPEC-UHFFFAOYSA-N 0 0 476.625 -0.287 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001303397981 1070245477 /nfs/dbraw/zinc/24/54/77/1070245477.db2.gz PDJMZUGUANOUCJ-MRXNPFEDSA-N 0 0 463.539 -0.897 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1Cc1ccco1 ZINC001303398007 1070245395 /nfs/dbraw/zinc/24/53/95/1070245395.db2.gz QDWGVWAYPCXYRH-UHFFFAOYSA-N 0 0 459.507 -0.435 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CCSC1 ZINC001303398045 1070245369 /nfs/dbraw/zinc/24/53/69/1070245369.db2.gz RLEHVPDGLMOWKQ-FQEVSTJZSA-N 0 0 465.580 -0.789 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@]1(O)CCSC1 ZINC001303398046 1070245468 /nfs/dbraw/zinc/24/54/68/1070245468.db2.gz RLEHVPDGLMOWKQ-HXUWFJFHSA-N 0 0 465.580 -0.789 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC1([S@](C)=O)CCC1 ZINC001303398411 1070245362 /nfs/dbraw/zinc/24/53/62/1070245362.db2.gz UNZPYKLYNNGUPS-UMSFTDKQSA-N 0 0 493.634 -0.012 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001303398412 1070245455 /nfs/dbraw/zinc/24/54/55/1070245455.db2.gz UNZPYKLYNNGUPS-UUWRZZSWSA-N 0 0 493.634 -0.012 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC1(O)CCCCC1 ZINC001303398459 1070245443 /nfs/dbraw/zinc/24/54/43/1070245443.db2.gz WLWIIJQBVNAAAU-UHFFFAOYSA-N 0 0 491.593 -0.381 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCCOC(F)F ZINC001303398471 1070245489 /nfs/dbraw/zinc/24/54/89/1070245489.db2.gz WYFCIXHEHFGGTK-UHFFFAOYSA-N 0 0 487.508 -0.447 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCCn1cccn1 ZINC001303398607 1070245557 /nfs/dbraw/zinc/24/55/57/1070245557.db2.gz YFOHCIFZHNRYCD-UHFFFAOYSA-N 0 0 471.566 -0.026 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@](C)(O)C1CC1 ZINC001303398629 1070245520 /nfs/dbraw/zinc/24/55/20/1070245520.db2.gz ZBWAOMKHUGSJMW-JOCHJYFZSA-N 0 0 461.567 -0.152 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@](C)(O)C1CC1 ZINC001303398630 1070245501 /nfs/dbraw/zinc/24/55/01/1070245501.db2.gz ZBWAOMKHUGSJMW-QFIPXVFZSA-N 0 0 461.567 -0.152 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCC(=O)N1CCOCC1 ZINC001303398684 1070245615 /nfs/dbraw/zinc/24/56/15/1070245615.db2.gz RFTXRHDOYXIFPE-UHFFFAOYSA-N 0 0 471.584 -0.863 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001303399742 1070245528 /nfs/dbraw/zinc/24/55/28/1070245528.db2.gz AXJBYZZWLDCRPF-UHFFFAOYSA-N 0 0 497.622 -0.185 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001303399763 1070245543 /nfs/dbraw/zinc/24/55/43/1070245543.db2.gz BBYDODAFNUAERV-UHFFFAOYSA-N 0 0 490.487 -0.331 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001303399843 1070246229 /nfs/dbraw/zinc/24/62/29/1070246229.db2.gz DBIUHQPCEBJMEM-INIZCTEOSA-N 0 0 485.611 -0.428 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001303399844 1070246272 /nfs/dbraw/zinc/24/62/72/1070246272.db2.gz DBIUHQPCEBJMEM-MRXNPFEDSA-N 0 0 485.611 -0.428 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001303399902 1070246282 /nfs/dbraw/zinc/24/62/82/1070246282.db2.gz GENSCEDIGWPSRN-HSZRJFAPSA-N 0 0 489.577 -0.102 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001303399903 1070246209 /nfs/dbraw/zinc/24/62/09/1070246209.db2.gz GENSCEDIGWPSRN-QHCPKHFHSA-N 0 0 489.577 -0.102 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCN1CCOCC1 ZINC001303399974 1070246188 /nfs/dbraw/zinc/24/61/88/1070246188.db2.gz HQHRMBRSORBSLD-UHFFFAOYSA-N 0 0 492.625 -0.881 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CCN1CCCS1(=O)=O ZINC001303400037 1070246473 /nfs/dbraw/zinc/24/64/73/1070246473.db2.gz JLJIZDFEZFETNA-INIZCTEOSA-N 0 0 483.595 -0.721 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CCN1CCCS1(=O)=O ZINC001303400038 1070246009 /nfs/dbraw/zinc/24/60/09/1070246009.db2.gz JLJIZDFEZFETNA-MRXNPFEDSA-N 0 0 483.595 -0.721 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CC1CC(F)(F)C1 ZINC001303400077 1070245998 /nfs/dbraw/zinc/24/59/98/1070245998.db2.gz LECGFEGPSYUWTG-UHFFFAOYSA-N 0 0 452.470 -0.203 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001303400090 1070246125 /nfs/dbraw/zinc/24/61/25/1070246125.db2.gz LTFAYYVPZWYTLZ-UHFFFAOYSA-N 0 0 456.573 -0.697 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCNS(C)(=O)=O ZINC001303400105 1070246312 /nfs/dbraw/zinc/24/63/12/1070246312.db2.gz MOWFDCCAYVITBC-UHFFFAOYSA-N 0 0 469.593 -0.011 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001303400175 1070246895 /nfs/dbraw/zinc/24/68/95/1070246895.db2.gz OCJXOCXSEUPGTD-UHFFFAOYSA-N 0 0 470.600 -0.307 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001303400244 1070246904 /nfs/dbraw/zinc/24/69/04/1070246904.db2.gz QRPZBDXLGCVNBY-MGBGTMOVSA-N 0 0 481.623 -0.692 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC1([S@](C)=O)CC1 ZINC001303400245 1070247109 /nfs/dbraw/zinc/24/71/09/1070247109.db2.gz QRPZBDXLGCVNBY-XIFFEERXSA-N 0 0 481.623 -0.692 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCN1CCCS1(=O)=O ZINC001303400290 1070247012 /nfs/dbraw/zinc/24/70/12/1070247012.db2.gz RXZKTBSQLZDZKI-UHFFFAOYSA-N 0 0 482.611 -0.210 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCc1cnn(C)c1 ZINC001303400352 1070246953 /nfs/dbraw/zinc/24/69/53/1070246953.db2.gz ULGGTVIXSCDBGF-UHFFFAOYSA-N 0 0 487.609 -0.237 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCc1ccn(C)n1 ZINC001303400354 1070246838 /nfs/dbraw/zinc/24/68/38/1070246838.db2.gz UPATUQDKWYQFQM-UHFFFAOYSA-N 0 0 473.582 -0.627 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001303402937 1070246823 /nfs/dbraw/zinc/24/68/23/1070246823.db2.gz OPJIWMSLCVDVAE-HNNXBMFYSA-N 0 0 481.623 -0.217 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001303402938 1070247093 /nfs/dbraw/zinc/24/70/93/1070247093.db2.gz OPJIWMSLCVDVAE-OAHLLOKOSA-N 0 0 481.623 -0.217 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCS(=O)(=O)N1CCSCC1 ZINC001303403036 1070247156 /nfs/dbraw/zinc/24/71/56/1070247156.db2.gz RIGUQYJPFDETEC-AWEZNQCLSA-N 0 0 473.625 -0.538 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCS(=O)(=O)N1CCSCC1 ZINC001303403255 1070247024 /nfs/dbraw/zinc/24/70/24/1070247024.db2.gz RIGUQYJPFDETEC-CQSZACIVSA-N 0 0 473.625 -0.538 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCCn1ccnn1 ZINC001303403263 1070247104 /nfs/dbraw/zinc/24/71/04/1070247104.db2.gz RQMTWGCJGLHSEP-INIZCTEOSA-N 0 0 458.571 -0.113 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCCn1ccnn1 ZINC001303403264 1070247119 /nfs/dbraw/zinc/24/71/19/1070247119.db2.gz RQMTWGCJGLHSEP-MRXNPFEDSA-N 0 0 458.571 -0.113 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1CCn1cncn1 ZINC001303403332 1070247507 /nfs/dbraw/zinc/24/75/07/1070247507.db2.gz UNFVNUDTBBUHNU-KRWDZBQOSA-N 0 0 458.571 -0.159 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1CCn1cncn1 ZINC001303403333 1070247603 /nfs/dbraw/zinc/24/76/03/1070247603.db2.gz UNFVNUDTBBUHNU-QGZVFWFLSA-N 0 0 458.571 -0.159 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001303403547 1070247555 /nfs/dbraw/zinc/24/75/55/1070247555.db2.gz XWLZMRLNXUZRPR-UHFFFAOYSA-N 0 0 451.528 -0.012 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001303403762 1070247545 /nfs/dbraw/zinc/24/75/45/1070247545.db2.gz GSHSMFOODDZMPY-HNNXBMFYSA-N 0 0 478.579 -0.172 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001303403763 1070247717 /nfs/dbraw/zinc/24/77/17/1070247717.db2.gz GSHSMFOODDZMPY-OAHLLOKOSA-N 0 0 478.579 -0.172 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(c3ncccn3)CC2)n1CCN1CCCS1(=O)=O ZINC001303403881 1070247645 /nfs/dbraw/zinc/24/76/45/1070247645.db2.gz KDVPPWIPBNKGHH-UHFFFAOYSA-N 0 0 463.568 -0.432 20 0 JBADRN 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C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CCN1CCCS1(=O)=O ZINC001303815331 1070264630 /nfs/dbraw/zinc/26/46/30/1070264630.db2.gz PMVQHLNWCMNKSM-CYBMUJFWSA-N 0 0 460.586 -0.706 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CCN1CCCS1(=O)=O ZINC001303815332 1070264789 /nfs/dbraw/zinc/26/47/89/1070264789.db2.gz PMVQHLNWCMNKSM-ZDUSSCGKSA-N 0 0 460.586 -0.706 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001303818522 1070264740 /nfs/dbraw/zinc/26/47/40/1070264740.db2.gz CNCGEVIYGCTNER-CHWSQXEVSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001303818524 1070264512 /nfs/dbraw/zinc/26/45/12/1070264512.db2.gz CNCGEVIYGCTNER-OLZOCXBDSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001303818525 1070264749 /nfs/dbraw/zinc/26/47/49/1070264749.db2.gz CNCGEVIYGCTNER-QWHCGFSZSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001303818527 1070264579 /nfs/dbraw/zinc/26/45/79/1070264579.db2.gz CNCGEVIYGCTNER-STQMWFEESA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCn1cc([C@@H]2CCOC2)cn1 ZINC001303819043 1070264727 /nfs/dbraw/zinc/26/47/27/1070264727.db2.gz FRJOVOQHUXTECU-HRCADAONSA-N 0 0 480.595 -0.044 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCn1cc([C@H]2CCOC2)cn1 ZINC001303819046 1070264565 /nfs/dbraw/zinc/26/45/65/1070264565.db2.gz FRJOVOQHUXTECU-JYJNAYRXSA-N 0 0 480.595 -0.044 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCn1cc([C@@H]2CCOC2)cn1 ZINC001303819048 1070264547 /nfs/dbraw/zinc/26/45/47/1070264547.db2.gz FRJOVOQHUXTECU-OWCLPIDISA-N 0 0 480.595 -0.044 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCn1cc([C@H]2CCOC2)cn1 ZINC001303819050 1070264619 /nfs/dbraw/zinc/26/46/19/1070264619.db2.gz FRJOVOQHUXTECU-PMPSAXMXSA-N 0 0 480.595 -0.044 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC1CCS(=O)(=O)CC1 ZINC001303819353 1070264657 /nfs/dbraw/zinc/26/46/57/1070264657.db2.gz GQOSDTLJVDSYRO-CHWSQXEVSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC1CCS(=O)(=O)CC1 ZINC001303819355 1070264496 /nfs/dbraw/zinc/26/44/96/1070264496.db2.gz GQOSDTLJVDSYRO-OLZOCXBDSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC1CCS(=O)(=O)CC1 ZINC001303819357 1070264831 /nfs/dbraw/zinc/26/48/31/1070264831.db2.gz GQOSDTLJVDSYRO-QWHCGFSZSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC1CCS(=O)(=O)CC1 ZINC001303819359 1070264640 /nfs/dbraw/zinc/26/46/40/1070264640.db2.gz GQOSDTLJVDSYRO-STQMWFEESA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 ZINC001303819726 1070265464 /nfs/dbraw/zinc/26/54/64/1070265464.db2.gz FUTJCEMCWJEWGX-CYBMUJFWSA-N 0 0 472.593 -0.048 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 ZINC001303819727 1070265176 /nfs/dbraw/zinc/26/51/76/1070265176.db2.gz FUTJCEMCWJEWGX-ZDUSSCGKSA-N 0 0 472.593 -0.048 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1cccnc1N1CCOCC1 ZINC001303819815 1070265273 /nfs/dbraw/zinc/26/52/73/1070265273.db2.gz JUHMBJZWPUYMMM-CVEARBPZSA-N 0 0 492.606 -0.165 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1cccnc1N1CCOCC1 ZINC001303819816 1070265442 /nfs/dbraw/zinc/26/54/42/1070265442.db2.gz JUHMBJZWPUYMMM-HOTGVXAUSA-N 0 0 492.606 -0.165 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1cccnc1N1CCOCC1 ZINC001303819818 1070265389 /nfs/dbraw/zinc/26/53/89/1070265389.db2.gz JUHMBJZWPUYMMM-HZPDHXFCSA-N 0 0 492.606 -0.165 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1cccnc1N1CCOCC1 ZINC001303819820 1070265415 /nfs/dbraw/zinc/26/54/15/1070265415.db2.gz JUHMBJZWPUYMMM-JKSUJKDBSA-N 0 0 492.606 -0.165 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001303819827 1070265261 /nfs/dbraw/zinc/26/52/61/1070265261.db2.gz JYZIZWYPMZRQFL-CHWSQXEVSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001303819829 1070265503 /nfs/dbraw/zinc/26/55/03/1070265503.db2.gz JYZIZWYPMZRQFL-OLZOCXBDSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001303819831 1070265191 /nfs/dbraw/zinc/26/51/91/1070265191.db2.gz JYZIZWYPMZRQFL-QWHCGFSZSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001303819833 1070265331 /nfs/dbraw/zinc/26/53/31/1070265331.db2.gz JYZIZWYPMZRQFL-STQMWFEESA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001303820015 1070265478 /nfs/dbraw/zinc/26/54/78/1070265478.db2.gz ITWUKVNXVLOGON-CABCVRRESA-N 0 0 457.601 -0.429 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001303820017 1070265062 /nfs/dbraw/zinc/26/50/62/1070265062.db2.gz ITWUKVNXVLOGON-GJZGRUSLSA-N 0 0 457.601 -0.429 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001303820019 1070265236 /nfs/dbraw/zinc/26/52/36/1070265236.db2.gz ITWUKVNXVLOGON-HUUCEWRRSA-N 0 0 457.601 -0.429 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001303820021 1070265206 /nfs/dbraw/zinc/26/52/06/1070265206.db2.gz ITWUKVNXVLOGON-LSDHHAIUSA-N 0 0 457.601 -0.429 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 ZINC001303820088 1070265300 /nfs/dbraw/zinc/26/53/00/1070265300.db2.gz JWJFAYMRRIBEPP-ABSDTBQOSA-N 0 0 472.612 -0.005 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 ZINC001303820109 1070265112 /nfs/dbraw/zinc/26/51/12/1070265112.db2.gz JWJFAYMRRIBEPP-QKLQHJQFSA-N 0 0 472.612 -0.005 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CC[C@]2(CCOC2)O1 ZINC001303820111 1070265348 /nfs/dbraw/zinc/26/53/48/1070265348.db2.gz JWJFAYMRRIBEPP-SQGPQFPESA-N 0 0 472.612 -0.005 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 ZINC001303820113 1070265147 /nfs/dbraw/zinc/26/51/47/1070265147.db2.gz JWJFAYMRRIBEPP-ZWOKBUDYSA-N 0 0 472.612 -0.005 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H]1CCOC[C@H]1C ZINC001303820182 1070265377 /nfs/dbraw/zinc/26/53/77/1070265377.db2.gz LEVSLLQQIPRCPW-HZSPNIEDSA-N 0 0 452.603 -0.454 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H]1CCOC[C@@H]1C ZINC001303820183 1070265095 /nfs/dbraw/zinc/26/50/95/1070265095.db2.gz LEVSLLQQIPRCPW-IHRRRGAJSA-N 0 0 452.603 -0.454 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H]1CCOC[C@@H]1C ZINC001303820184 1070265751 /nfs/dbraw/zinc/26/57/51/1070265751.db2.gz LEVSLLQQIPRCPW-MELADBBJSA-N 0 0 452.603 -0.454 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H]1CCOC[C@H]1C ZINC001303820185 1070266038 /nfs/dbraw/zinc/26/60/38/1070266038.db2.gz LEVSLLQQIPRCPW-RDBSUJKOSA-N 0 0 452.603 -0.454 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1CCC(=O)N1CCOCC1 ZINC001303820208 1070266121 /nfs/dbraw/zinc/26/61/21/1070266121.db2.gz LSFYDIQQJXQXIQ-HNNXBMFYSA-N 0 0 454.557 -0.530 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1CCC(=O)N1CCOCC1 ZINC001303820209 1070265894 /nfs/dbraw/zinc/26/58/94/1070265894.db2.gz LSFYDIQQJXQXIQ-OAHLLOKOSA-N 0 0 454.557 -0.530 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001303820242 1070265788 /nfs/dbraw/zinc/26/57/88/1070265788.db2.gz MGBZQOCXXFKATO-HUUCEWRRSA-N 0 0 474.613 -0.355 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001303820243 1070266027 /nfs/dbraw/zinc/26/60/27/1070266027.db2.gz MGBZQOCXXFKATO-LSDHHAIUSA-N 0 0 474.613 -0.355 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CCOC1 ZINC001303820384 1070265908 /nfs/dbraw/zinc/26/59/08/1070265908.db2.gz NBXFDKUMJDQHPH-CYJAXWMASA-N 0 0 460.601 -0.415 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CCOC1 ZINC001303820385 1070266063 /nfs/dbraw/zinc/26/60/63/1070266063.db2.gz NBXFDKUMJDQHPH-OLMMMNRUSA-N 0 0 460.601 -0.415 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CCOC1 ZINC001303820386 1070265971 /nfs/dbraw/zinc/26/59/71/1070265971.db2.gz NBXFDKUMJDQHPH-RCJHGTSTSA-N 0 0 460.601 -0.415 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CCOC1 ZINC001303820387 1070265823 /nfs/dbraw/zinc/26/58/23/1070265823.db2.gz NBXFDKUMJDQHPH-YYAJDYIMSA-N 0 0 460.601 -0.415 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC(=O)NCC(F)(F)F ZINC001303820476 1070265771 /nfs/dbraw/zinc/26/57/71/1070265771.db2.gz OOCPZAMAIPCASZ-NXEZZACHSA-N 0 0 455.463 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ZINC001303859775 1070279288 /nfs/dbraw/zinc/27/92/88/1070279288.db2.gz VAAJTFUCHQZBSV-SJORKVTESA-N 0 0 493.638 -0.197 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCNC(=O)c1ccccc1F ZINC001303859778 1070279715 /nfs/dbraw/zinc/27/97/15/1070279715.db2.gz VBEBIIVXUQXYMH-CYBMUJFWSA-N 0 0 467.527 -0.264 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCNC(=O)c1ccccc1F ZINC001303859779 1070279895 /nfs/dbraw/zinc/27/98/95/1070279895.db2.gz VBEBIIVXUQXYMH-ZDUSSCGKSA-N 0 0 467.527 -0.264 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001303859894 1070279686 /nfs/dbraw/zinc/27/96/86/1070279686.db2.gz WUSNKPCMYHPODX-CHWSQXEVSA-N 0 0 483.517 -0.570 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001303859895 1070279926 /nfs/dbraw/zinc/27/99/26/1070279926.db2.gz WUSNKPCMYHPODX-OLZOCXBDSA-N 0 0 483.517 -0.570 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001303859896 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC1(O)CCOCC1 ZINC001303865015 1070284307 /nfs/dbraw/zinc/28/43/07/1070284307.db2.gz KQEYSAHRSMOMFJ-ZDUSSCGKSA-N 0 0 452.528 -0.183 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC(=O)NCC(F)F ZINC001303865038 1070285122 /nfs/dbraw/zinc/28/51/22/1070285122.db2.gz LGJBHRPBPSVOCV-JTQLQIEISA-N 0 0 459.470 -0.343 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC(=O)NCC(F)F ZINC001303865039 1070284761 /nfs/dbraw/zinc/28/47/61/1070284761.db2.gz LGJBHRPBPSVOCV-SNVBAGLBSA-N 0 0 459.470 -0.343 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCc1ccncc1 ZINC001303865042 1070285105 /nfs/dbraw/zinc/28/51/05/1070285105.db2.gz LMISXHAMMCFVEG-GJZGRUSLSA-N 0 0 471.609 -0.004 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCc1ccncc1 ZINC001303865043 1070284799 /nfs/dbraw/zinc/28/47/99/1070284799.db2.gz LMISXHAMMCFVEG-LSDHHAIUSA-N 0 0 471.609 -0.004 20 0 JBADRN 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001303865276 1070285788 /nfs/dbraw/zinc/28/57/88/1070285788.db2.gz PWXKEUQOHXZSSI-SJORKVTESA-N 0 0 485.611 -0.952 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCNS(C)(=O)=O ZINC001303865285 1070285755 /nfs/dbraw/zinc/28/57/55/1070285755.db2.gz QAZFZPPEMSVMPA-NEPJUHHUSA-N 0 0 491.562 -0.490 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCNS(C)(=O)=O ZINC001303865286 1070285820 /nfs/dbraw/zinc/28/58/20/1070285820.db2.gz QAZFZPPEMSVMPA-NWDGAFQWSA-N 0 0 491.562 -0.490 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCNS(C)(=O)=O ZINC001303865287 1070285610 /nfs/dbraw/zinc/28/56/10/1070285610.db2.gz QAZFZPPEMSVMPA-RYUDHWBXSA-N 0 0 491.562 -0.490 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCNS(C)(=O)=O ZINC001303865288 1070285664 /nfs/dbraw/zinc/28/56/64/1070285664.db2.gz QAZFZPPEMSVMPA-VXGBXAGGSA-N 0 0 491.562 -0.490 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCn1cc(Cl)cn1 ZINC001303865331 1070285536 /nfs/dbraw/zinc/28/55/36/1070285536.db2.gz RDCUBNJPXNLQEE-AWEZNQCLSA-N 0 0 488.018 -0.351 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCn1cc(Cl)cn1 ZINC001303865332 1070285643 /nfs/dbraw/zinc/28/56/43/1070285643.db2.gz RDCUBNJPXNLQEE-CQSZACIVSA-N 0 0 488.018 -0.351 20 0 JBADRN CC(C)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001303865353 1070285682 /nfs/dbraw/zinc/28/56/82/1070285682.db2.gz RJKUQNFSOGEEFA-KBPBESRZSA-N 0 0 453.569 -0.529 20 0 JBADRN CC(C)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001303865354 1070285738 /nfs/dbraw/zinc/28/57/38/1070285738.db2.gz RJKUQNFSOGEEFA-KGLIPLIRSA-N 0 0 453.569 -0.529 20 0 JBADRN CC(C)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001303865355 1070285502 /nfs/dbraw/zinc/28/55/02/1070285502.db2.gz RJKUQNFSOGEEFA-UONOGXRCSA-N 0 0 453.569 -0.529 20 0 JBADRN CC(C)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001303865356 1070285591 /nfs/dbraw/zinc/28/55/91/1070285591.db2.gz RJKUQNFSOGEEFA-ZIAGYGMSSA-N 0 0 453.569 -0.529 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1(O)CCCC1 ZINC001303865359 1070285694 /nfs/dbraw/zinc/28/56/94/1070285694.db2.gz ROINFJZYAGSTDY-KBPBESRZSA-N 0 0 464.614 -0.337 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1(O)CCCC1 ZINC001303865360 1070285571 /nfs/dbraw/zinc/28/55/71/1070285571.db2.gz ROINFJZYAGSTDY-UONOGXRCSA-N 0 0 464.614 -0.337 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ncccc1N(C)C ZINC001303865367 1070285517 /nfs/dbraw/zinc/28/55/17/1070285517.db2.gz RTWQWRLQDJGUFL-INIZCTEOSA-N 0 0 493.638 -0.392 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ncccc1N(C)C ZINC001303865368 1070285765 /nfs/dbraw/zinc/28/57/65/1070285765.db2.gz RTWQWRLQDJGUFL-MRXNPFEDSA-N 0 0 493.638 -0.392 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC(=O)NC1CCCCC1 ZINC001303865430 1070285555 /nfs/dbraw/zinc/28/55/55/1070285555.db2.gz AHTIUINTJHJHAI-DZGCQCFKSA-N 0 0 469.568 -0.022 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC(=O)NC1CCCCC1 ZINC001303865431 1070285722 /nfs/dbraw/zinc/28/57/22/1070285722.db2.gz AHTIUINTJHJHAI-HIFRSBDPSA-N 0 0 469.568 -0.022 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC(=O)NC1CCCCC1 ZINC001303865432 1070285808 /nfs/dbraw/zinc/28/58/08/1070285808.db2.gz AHTIUINTJHJHAI-UKRRQHHQSA-N 0 0 469.568 -0.022 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC(=O)NC1CCCCC1 ZINC001303865433 1070286264 /nfs/dbraw/zinc/28/62/64/1070286264.db2.gz AHTIUINTJHJHAI-ZFWWWQNUSA-N 0 0 469.568 -0.022 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303865446 1070286396 /nfs/dbraw/zinc/28/63/96/1070286396.db2.gz APCLLJXMFILYCQ-KBPBESRZSA-N 0 0 476.625 -0.087 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303865447 1070286181 /nfs/dbraw/zinc/28/61/81/1070286181.db2.gz APCLLJXMFILYCQ-KGLIPLIRSA-N 0 0 476.625 -0.087 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303865448 1070286460 /nfs/dbraw/zinc/28/64/60/1070286460.db2.gz APCLLJXMFILYCQ-UONOGXRCSA-N 0 0 476.625 -0.087 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303865449 1070286318 /nfs/dbraw/zinc/28/63/18/1070286318.db2.gz APCLLJXMFILYCQ-ZIAGYGMSSA-N 0 0 476.625 -0.087 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CCN1CCCS1(=O)=O ZINC001303865527 1070285629 /nfs/dbraw/zinc/28/56/29/1070285629.db2.gz SPNCSXKIPWBYGW-CYBMUJFWSA-N 0 0 485.583 -0.689 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CCN1CCCS1(=O)=O ZINC001303865528 1070286336 /nfs/dbraw/zinc/28/63/36/1070286336.db2.gz SPNCSXKIPWBYGW-ZDUSSCGKSA-N 0 0 485.583 -0.689 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCCn2ccnc21 ZINC001303865545 1070286439 /nfs/dbraw/zinc/28/64/39/1070286439.db2.gz SYTGXJBSPVHLAG-DLBZAZTESA-N 0 0 493.638 -0.127 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCCn2ccnc21 ZINC001303865546 1070286373 /nfs/dbraw/zinc/28/63/73/1070286373.db2.gz SYTGXJBSPVHLAG-IAGOWNOFSA-N 0 0 493.638 -0.127 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H]1CCCn2ccnc21 ZINC001303865547 1070287091 /nfs/dbraw/zinc/28/70/91/1070287091.db2.gz SYTGXJBSPVHLAG-IRXDYDNUSA-N 0 0 493.638 -0.127 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H]1CCCn2ccnc21 ZINC001303865548 1070286777 /nfs/dbraw/zinc/28/67/77/1070286777.db2.gz SYTGXJBSPVHLAG-SJORKVTESA-N 0 0 493.638 -0.127 20 0 JBADRN CC(C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001303865565 1070286949 /nfs/dbraw/zinc/28/69/49/1070286949.db2.gz TWAOHQNHXIEIPX-GRDNDAEWSA-N 0 0 466.630 -0.235 20 0 JBADRN 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/nfs/dbraw/zinc/30/14/70/1070301470.db2.gz HINASJIQLIPCJD-UHFFFAOYSA-N 0 0 481.604 -0.138 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)C2)s1 ZINC001304430386 1070301713 /nfs/dbraw/zinc/30/17/13/1070301713.db2.gz SKDGVUVMJXNKNS-UHFFFAOYSA-N 0 0 455.566 -0.299 20 0 JBADRN Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 ZINC001304451987 1070301369 /nfs/dbraw/zinc/30/13/69/1070301369.db2.gz NDVXJQMYAWLNKJ-KBXCAEBGSA-N 0 0 455.562 -0.179 20 0 JBADRN Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 ZINC001304452000 1070302176 /nfs/dbraw/zinc/30/21/76/1070302176.db2.gz NDVXJQMYAWLNKJ-KDOFPFPSSA-N 0 0 455.562 -0.179 20 0 JBADRN Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 ZINC001304452001 1070301832 /nfs/dbraw/zinc/30/18/32/1070301832.db2.gz NDVXJQMYAWLNKJ-KSSFIOAISA-N 0 0 455.562 -0.179 20 0 JBADRN Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 ZINC001304452216 1070301974 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475.575 -0.414 20 0 JBADRN Cc1ccccc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001304562058 1070302027 /nfs/dbraw/zinc/30/20/27/1070302027.db2.gz ALYDJPWEGBVIQV-WBVHZDCISA-N 0 0 475.575 -0.414 20 0 JBADRN CC1=CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)N(C)C)C1 ZINC001304592170 1070302045 /nfs/dbraw/zinc/30/20/45/1070302045.db2.gz KAGJFDFJSXJVGH-HNNXBMFYSA-N 0 0 462.598 -0.341 20 0 JBADRN CC1=CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)N(C)C)C1 ZINC001304592171 1070302289 /nfs/dbraw/zinc/30/22/89/1070302289.db2.gz KAGJFDFJSXJVGH-OAHLLOKOSA-N 0 0 462.598 -0.341 20 0 JBADRN Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC001304601685 1070302192 /nfs/dbraw/zinc/30/21/92/1070302192.db2.gz AGHOJKIHVPHAGF-UHFFFAOYSA-N 0 0 487.565 -0.871 20 0 JBADRN Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC001304602098 1070302084 /nfs/dbraw/zinc/30/20/84/1070302084.db2.gz DZSJMKMRNFSFGR-DLBZAZTESA-N 0 0 480.595 -0.079 20 0 JBADRN 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JBADRN Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001304709981 1070304593 /nfs/dbraw/zinc/30/45/93/1070304593.db2.gz BFULZCKOLHXESH-WBVHZDCISA-N 0 0 480.595 -0.079 20 0 JBADRN Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001304710003 1070304703 /nfs/dbraw/zinc/30/47/03/1070304703.db2.gz BROAPEATEQNPSI-CVEARBPZSA-N 0 0 493.638 -0.117 20 0 JBADRN Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001304710005 1070304335 /nfs/dbraw/zinc/30/43/35/1070304335.db2.gz BROAPEATEQNPSI-HOTGVXAUSA-N 0 0 493.638 -0.117 20 0 JBADRN Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001304710007 1070304408 /nfs/dbraw/zinc/30/44/08/1070304408.db2.gz BROAPEATEQNPSI-HZPDHXFCSA-N 0 0 493.638 -0.117 20 0 JBADRN Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001304710009 1070304669 /nfs/dbraw/zinc/30/46/69/1070304669.db2.gz BROAPEATEQNPSI-JKSUJKDBSA-N 0 0 493.638 -0.117 20 0 JBADRN Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001304710018 1070304082 /nfs/dbraw/zinc/30/40/82/1070304082.db2.gz BTDFHWQGVMNWGD-KRWDZBQOSA-N 0 0 493.638 -0.162 20 0 JBADRN Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001304710024 1070304297 /nfs/dbraw/zinc/30/42/97/1070304297.db2.gz BTDFHWQGVMNWGD-QGZVFWFLSA-N 0 0 493.638 -0.162 20 0 JBADRN Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001304710878 1070304044 /nfs/dbraw/zinc/30/40/44/1070304044.db2.gz MUCBFKDPMALNME-GDBMZVCRSA-N 0 0 466.568 -0.517 20 0 JBADRN Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001304710885 1070303997 /nfs/dbraw/zinc/30/39/97/1070303997.db2.gz MUCBFKDPMALNME-GOEBONIOSA-N 0 0 466.568 -0.517 20 0 JBADRN Cc1nccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001304710887 1070304860 /nfs/dbraw/zinc/30/48/60/1070304860.db2.gz MUCBFKDPMALNME-HOCLYGCPSA-N 0 0 466.568 -0.517 20 0 JBADRN 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Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001304712820 1070305208 /nfs/dbraw/zinc/30/52/08/1070305208.db2.gz WJTMZFPPOITEDV-CYBMUJFWSA-N 0 0 460.586 -0.825 20 0 JBADRN Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001304712823 1070305365 /nfs/dbraw/zinc/30/53/65/1070305365.db2.gz WJTMZFPPOITEDV-ZDUSSCGKSA-N 0 0 460.586 -0.825 20 0 JBADRN Cc1nccnc1N1CCN(c2nnc(C(=O)NC(C)C)n2CCCNS(C)(=O)=O)CC1 ZINC001304712859 1070305299 /nfs/dbraw/zinc/30/52/99/1070305299.db2.gz DKORSGATVPWHHG-UHFFFAOYSA-N 0 0 465.584 -0.219 20 0 JBADRN Cc1nccn1CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001304712935 1070304898 /nfs/dbraw/zinc/30/48/98/1070304898.db2.gz CHTRJRGEYJYKJD-UHFFFAOYSA-N 0 0 471.566 -0.221 20 0 JBADRN Cc1nccnc1N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)CC1 ZINC001304713459 1070304947 /nfs/dbraw/zinc/30/49/47/1070304947.db2.gz MAPSXKNFPHHDSG-AWEZNQCLSA-N 0 0 484.533 -0.013 20 0 JBADRN Cc1nccnc1N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)CC1 ZINC001304713489 1070305282 /nfs/dbraw/zinc/30/52/82/1070305282.db2.gz MAPSXKNFPHHDSG-CQSZACIVSA-N 0 0 484.533 -0.013 20 0 JBADRN Cc1nccnc1CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001304715298 1070305354 /nfs/dbraw/zinc/30/53/54/1070305354.db2.gz PCTHWMXUAORPIR-UHFFFAOYSA-N 0 0 483.577 -0.085 20 0 JBADRN Cc1nccnc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNS(C)(=O)=O)CC1 ZINC001304715698 1070304930 /nfs/dbraw/zinc/30/49/30/1070304930.db2.gz YTQSNPQZEPJIDE-HNNXBMFYSA-N 0 0 463.568 -0.406 20 0 JBADRN Cc1nccnc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNS(C)(=O)=O)CC1 ZINC001304715707 1070305184 /nfs/dbraw/zinc/30/51/84/1070305184.db2.gz YTQSNPQZEPJIDE-OAHLLOKOSA-N 0 0 463.568 -0.406 20 0 JBADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C ZINC001304723344 1070305088 /nfs/dbraw/zinc/30/50/88/1070305088.db2.gz YQGZAZQKYHPHSI-INIZCTEOSA-N 0 0 468.584 -0.314 20 0 JBADRN 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Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCS(=O)(=O)C3)C2)n(C)n1 ZINC001304727148 1070305555 /nfs/dbraw/zinc/30/55/55/1070305555.db2.gz CTQFQIRJXBABTK-KSSFIOAISA-N 0 0 471.609 -0.006 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCS(=O)(=O)C3)C2)n(C)n1 ZINC001304727149 1070305834 /nfs/dbraw/zinc/30/58/34/1070305834.db2.gz CTQFQIRJXBABTK-RDTXWAMCSA-N 0 0 471.609 -0.006 20 0 JBADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)n(C)n1 ZINC001304727783 1070305863 /nfs/dbraw/zinc/30/58/63/1070305863.db2.gz JAMZNIZHMXYTIT-DOTOQJQBSA-N 0 0 480.595 -0.194 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)n(C)n1 ZINC001304727788 1070305698 /nfs/dbraw/zinc/30/56/98/1070305698.db2.gz JAMZNIZHMXYTIT-NVXWUHKLSA-N 0 0 480.595 -0.194 20 0 JBADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)n(C)n1 ZINC001304727790 1070305895 /nfs/dbraw/zinc/30/58/95/1070305895.db2.gz JAMZNIZHMXYTIT-RDJZCZTQSA-N 0 0 480.595 -0.194 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)n(C)n1 ZINC001304727792 1070305534 /nfs/dbraw/zinc/30/55/34/1070305534.db2.gz JAMZNIZHMXYTIT-WBVHZDCISA-N 0 0 480.595 -0.194 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n(C)n1 ZINC001304728304 1070305754 /nfs/dbraw/zinc/30/57/54/1070305754.db2.gz OSESTSYNSWLTRH-CVEARBPZSA-N 0 0 493.638 -0.232 20 0 JBADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n(C)n1 ZINC001304728306 1070305734 /nfs/dbraw/zinc/30/57/34/1070305734.db2.gz OSESTSYNSWLTRH-HOTGVXAUSA-N 0 0 493.638 -0.232 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)n(C)n1 ZINC001304728309 1070305819 /nfs/dbraw/zinc/30/58/19/1070305819.db2.gz OSESTSYNSWLTRH-HZPDHXFCSA-N 0 0 493.638 -0.232 20 0 JBADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)n(C)n1 ZINC001304728312 1070305640 /nfs/dbraw/zinc/30/56/40/1070305640.db2.gz OSESTSYNSWLTRH-JKSUJKDBSA-N 0 0 493.638 -0.232 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCNC(=O)[C@H]3C2)n(C)n1 ZINC001304729536 1070306296 /nfs/dbraw/zinc/30/62/96/1070306296.db2.gz ZLDALCDBYSTFCI-FMKPAKJESA-N 0 0 450.569 -0.059 20 0 JBADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCNC(=O)[C@H]3C2)n(C)n1 ZINC001304729537 1070306103 /nfs/dbraw/zinc/30/61/03/1070306103.db2.gz ZLDALCDBYSTFCI-LZWOXQAQSA-N 0 0 450.569 -0.059 20 0 JBADRN Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)n(C)n1 ZINC001304730921 1070306210 /nfs/dbraw/zinc/30/62/10/1070306210.db2.gz IJNITYOKQQWQPK-HNNXBMFYSA-N 0 0 471.609 -0.258 20 0 JBADRN Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)n(C)n1 ZINC001304730925 1070306387 /nfs/dbraw/zinc/30/63/87/1070306387.db2.gz IJNITYOKQQWQPK-OAHLLOKOSA-N 0 0 471.609 -0.258 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2CCS(=O)(=O)NC(C)C)n1 ZINC001304740687 1070306141 /nfs/dbraw/zinc/30/61/41/1070306141.db2.gz QTXOKXRCZJDSND-UHFFFAOYSA-N 0 0 482.611 -0.237 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2CCN2CCCS2(=O)=O)n1 ZINC001304741136 1070306231 /nfs/dbraw/zinc/30/62/31/1070306231.db2.gz UEEJCCLWVAKZAP-UHFFFAOYSA-N 0 0 480.595 -0.530 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CCN3CCOCC3)n2CCN2CCCS2(=O)=O)n1 ZINC001304744993 1070306315 /nfs/dbraw/zinc/30/63/15/1070306315.db2.gz KRBNUYUEYCKAGM-UHFFFAOYSA-N 0 0 466.612 -0.056 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCN2CCCS2(=O)=O)n1 ZINC001304749858 1070306022 /nfs/dbraw/zinc/30/60/22/1070306022.db2.gz MTLMZEJLNAUESD-INIZCTEOSA-N 0 0 450.569 -0.158 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCN2CCCS2(=O)=O)n1 ZINC001304749859 1070306193 /nfs/dbraw/zinc/30/61/93/1070306193.db2.gz MTLMZEJLNAUESD-MRXNPFEDSA-N 0 0 450.569 -0.158 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCOCCS(C)(=O)=O)n1 ZINC001304751709 1070306170 /nfs/dbraw/zinc/30/61/70/1070306170.db2.gz VMSIPKOXRWPMRO-INIZCTEOSA-N 0 0 453.569 -0.132 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCOCCS(C)(=O)=O)n1 ZINC001304751717 1070306080 /nfs/dbraw/zinc/30/60/80/1070306080.db2.gz VMSIPKOXRWPMRO-MRXNPFEDSA-N 0 0 453.569 -0.132 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCNS(C)(=O)=O)n1 ZINC001304752915 1070306122 /nfs/dbraw/zinc/30/61/22/1070306122.db2.gz CHHDPXARZOHJFR-HNNXBMFYSA-N 0 0 459.598 -0.298 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCNS(C)(=O)=O)n1 ZINC001304752916 1070306001 /nfs/dbraw/zinc/30/60/01/1070306001.db2.gz CHHDPXARZOHJFR-OAHLLOKOSA-N 0 0 459.598 -0.298 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCC([C@@H]4NC(=O)N(C)C4=O)CC3)n2CCS(C)(=O)=O)n1 ZINC001304752955 1070306252 /nfs/dbraw/zinc/30/62/52/1070306252.db2.gz WPKJTBQEDNEYFG-KRWDZBQOSA-N 0 0 478.579 -0.049 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCC([C@H]4NC(=O)N(C)C4=O)CC3)n2CCS(C)(=O)=O)n1 ZINC001304752956 1070306366 /nfs/dbraw/zinc/30/63/66/1070306366.db2.gz WPKJTBQEDNEYFG-QGZVFWFLSA-N 0 0 478.579 -0.049 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCC4(COC(=O)N4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001304754113 1070306274 /nfs/dbraw/zinc/30/62/74/1070306274.db2.gz NOJCJIDSVKTEKY-UHFFFAOYSA-N 0 0 452.541 -0.232 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCOCCS(C)(=O)=O)n1 ZINC001304754991 1070306041 /nfs/dbraw/zinc/30/60/41/1070306041.db2.gz MLRWVKLFFMDKPY-FQEVSTJZSA-N 0 0 465.580 -0.083 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCOCCS(C)(=O)=O)n1 ZINC001304754998 1070305981 /nfs/dbraw/zinc/30/59/81/1070305981.db2.gz MLRWVKLFFMDKPY-HXUWFJFHSA-N 0 0 465.580 -0.083 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCCNS(C)(=O)=O)n1 ZINC001304755699 1070306153 /nfs/dbraw/zinc/30/61/53/1070306153.db2.gz UCLZUDMBJFECKU-IBGZPJMESA-N 0 0 450.569 -0.205 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCCNS(C)(=O)=O)n1 ZINC001304755700 1070306059 /nfs/dbraw/zinc/30/60/59/1070306059.db2.gz UCLZUDMBJFECKU-LJQANCHMSA-N 0 0 450.569 -0.205 20 0 JBADRN 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C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C ZINC001305117892 1070314129 /nfs/dbraw/zinc/31/41/29/1070314129.db2.gz UFALLCSZQVTHOM-IAGOWNOFSA-N 0 0 499.638 -0.611 20 0 JBADRN C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C ZINC001305117893 1070313965 /nfs/dbraw/zinc/31/39/65/1070313965.db2.gz UFALLCSZQVTHOM-IRXDYDNUSA-N 0 0 499.638 -0.611 20 0 JBADRN C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C ZINC001305117895 1070314249 /nfs/dbraw/zinc/31/42/49/1070314249.db2.gz UFALLCSZQVTHOM-SJORKVTESA-N 0 0 499.638 -0.611 20 0 JBADRN C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 ZINC001305117940 1070314356 /nfs/dbraw/zinc/31/43/56/1070314356.db2.gz UROJPEZQWYJZCP-DOTOQJQBSA-N 0 0 497.622 -0.273 20 0 JBADRN C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 ZINC001305117943 1070314188 /nfs/dbraw/zinc/31/41/88/1070314188.db2.gz UROJPEZQWYJZCP-NVXWUHKLSA-N 0 0 497.622 -0.273 20 0 JBADRN C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 ZINC001305117945 1070313907 /nfs/dbraw/zinc/31/39/07/1070313907.db2.gz UROJPEZQWYJZCP-RDJZCZTQSA-N 0 0 497.622 -0.273 20 0 JBADRN C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 ZINC001305117946 1070314065 /nfs/dbraw/zinc/31/40/65/1070314065.db2.gz UROJPEZQWYJZCP-WBVHZDCISA-N 0 0 497.622 -0.273 20 0 JBADRN C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 ZINC001305117953 1070314370 /nfs/dbraw/zinc/31/43/70/1070314370.db2.gz ZUVOFGMNVUWVLR-AWEZNQCLSA-N 0 0 468.609 -0.276 20 0 JBADRN C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 ZINC001305117956 1070313946 /nfs/dbraw/zinc/31/39/46/1070313946.db2.gz ZUVOFGMNVUWVLR-CQSZACIVSA-N 0 0 468.609 -0.276 20 0 JBADRN C[C@@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001305118018 1070314044 /nfs/dbraw/zinc/31/40/44/1070314044.db2.gz LNJIEYSQQIAZOO-BFUOFWGJSA-N 0 0 482.588 -0.514 20 0 JBADRN C[C@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001305118019 1070314387 /nfs/dbraw/zinc/31/43/87/1070314387.db2.gz LNJIEYSQQIAZOO-DJJJIMSYSA-N 0 0 482.588 -0.514 20 0 JBADRN C[C@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001305118020 1070314086 /nfs/dbraw/zinc/31/40/86/1070314086.db2.gz LNJIEYSQQIAZOO-ORAYPTAESA-N 0 0 482.588 -0.514 20 0 JBADRN C[C@@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001305118021 1070314558 /nfs/dbraw/zinc/31/45/58/1070314558.db2.gz LNJIEYSQQIAZOO-YJYMSZOUSA-N 0 0 482.588 -0.514 20 0 JBADRN C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001305119224 1070314718 /nfs/dbraw/zinc/31/47/18/1070314718.db2.gz TVYBTCATFYJUIA-CABCVRRESA-N 0 0 453.569 -0.538 20 0 JBADRN C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001305119225 1070314512 /nfs/dbraw/zinc/31/45/12/1070314512.db2.gz TVYBTCATFYJUIA-GJZGRUSLSA-N 0 0 453.569 -0.538 20 0 JBADRN C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001305119226 1070314660 /nfs/dbraw/zinc/31/46/60/1070314660.db2.gz TVYBTCATFYJUIA-HUUCEWRRSA-N 0 0 453.569 -0.538 20 0 JBADRN C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001305119227 1070314767 /nfs/dbraw/zinc/31/47/67/1070314767.db2.gz TVYBTCATFYJUIA-LSDHHAIUSA-N 0 0 453.569 -0.538 20 0 JBADRN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)C[C@]2(CCCOC2)O1 ZINC001305123569 1070314806 /nfs/dbraw/zinc/31/48/06/1070314806.db2.gz HMAKWWZZXBTGPF-BEFAXECRSA-N 0 0 456.569 -0.162 20 0 JBADRN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)C[C@@]2(CCCOC2)O1 ZINC001305123570 1070314825 /nfs/dbraw/zinc/31/48/25/1070314825.db2.gz HMAKWWZZXBTGPF-DNVCBOLYSA-N 0 0 456.569 -0.162 20 0 JBADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)C[C@@]2(CCCOC2)O1 ZINC001305123571 1070314579 /nfs/dbraw/zinc/31/45/79/1070314579.db2.gz HMAKWWZZXBTGPF-HNAYVOBHSA-N 0 0 456.569 -0.162 20 0 JBADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)C[C@]2(CCCOC2)O1 ZINC001305123572 1070314490 /nfs/dbraw/zinc/31/44/90/1070314490.db2.gz HMAKWWZZXBTGPF-KXBFYZLASA-N 0 0 456.569 -0.162 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCOCCS(C)(=O)=O ZINC001305131289 1070314601 /nfs/dbraw/zinc/31/46/01/1070314601.db2.gz DXYXIWXJIXHEOC-KBPBESRZSA-N 0 0 467.614 -0.047 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCOCCS(C)(=O)=O ZINC001305131290 1070314622 /nfs/dbraw/zinc/31/46/22/1070314622.db2.gz DXYXIWXJIXHEOC-KGLIPLIRSA-N 0 0 467.614 -0.047 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCOCCS(C)(=O)=O ZINC001305131291 1070314782 /nfs/dbraw/zinc/31/47/82/1070314782.db2.gz DXYXIWXJIXHEOC-UONOGXRCSA-N 0 0 467.614 -0.047 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCOCCS(C)(=O)=O ZINC001305131292 1070314735 /nfs/dbraw/zinc/31/47/35/1070314735.db2.gz DXYXIWXJIXHEOC-ZIAGYGMSSA-N 0 0 467.614 -0.047 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CCS(=O)(=O)N(C)C ZINC001305132874 1070314642 /nfs/dbraw/zinc/31/46/42/1070314642.db2.gz KMSGYQNIDLGSQK-BASYENTBSA-N 0 0 494.640 -0.448 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CCS(=O)(=O)N(C)C ZINC001305132889 1070314679 /nfs/dbraw/zinc/31/46/79/1070314679.db2.gz KMSGYQNIDLGSQK-FSZRXZPDSA-N 0 0 494.640 -0.448 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@]3(CCO[C@H]3C)C2)n1CCS(=O)(=O)N(C)C ZINC001305132891 1070314751 /nfs/dbraw/zinc/31/47/51/1070314751.db2.gz KMSGYQNIDLGSQK-LDDOYCOJSA-N 0 0 494.640 -0.448 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCO[C@H]3C)C2)n1CCS(=O)(=O)N(C)C ZINC001305132893 1070315212 /nfs/dbraw/zinc/31/52/12/1070315212.db2.gz KMSGYQNIDLGSQK-LLDVTBCESA-N 0 0 494.640 -0.448 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCS(C)(=O)=O ZINC001305133543 1070315064 /nfs/dbraw/zinc/31/50/64/1070315064.db2.gz MWOUGHOGUYCMHX-CKEIUWERSA-N 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VZKDIMFWGOGWEU-IIAWOOMASA-N 0 0 476.625 -0.073 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CCN1CCCS1(=O)=O ZINC001305137608 1070314944 /nfs/dbraw/zinc/31/49/44/1070314944.db2.gz VZKDIMFWGOGWEU-IJEWVQPXSA-N 0 0 476.625 -0.073 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CCN1CCCS1(=O)=O ZINC001305137610 1070315306 /nfs/dbraw/zinc/31/53/06/1070315306.db2.gz VZKDIMFWGOGWEU-YCPHGPKFSA-N 0 0 476.625 -0.073 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)N(C)C)CC(=O)N1C ZINC001305143519 1070315372 /nfs/dbraw/zinc/31/53/72/1070315372.db2.gz KXRGJMBVGBUFNQ-AWEZNQCLSA-N 0 0 463.564 -0.050 20 0 JBADRN C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)N(C)C)CC(=O)N1C ZINC001305143544 1070315250 /nfs/dbraw/zinc/31/52/50/1070315250.db2.gz KXRGJMBVGBUFNQ-CQSZACIVSA-N 0 0 463.564 -0.050 20 0 JBADRN C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)F)CC(=O)N1C ZINC001305151217 1070315150 /nfs/dbraw/zinc/31/51/50/1070315150.db2.gz QPUOVSWIPDMXNU-GFCCVEGCSA-N 0 0 460.449 -0.031 20 0 JBADRN C[C@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)F)CC(=O)N1C ZINC001305151218 1070315350 /nfs/dbraw/zinc/31/53/50/1070315350.db2.gz QPUOVSWIPDMXNU-LBPRGKRZSA-N 0 0 460.449 -0.031 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N2CCSCC2)CC(=O)N1C ZINC001305165322 1070315409 /nfs/dbraw/zinc/31/54/09/1070315409.db2.gz NFRWRUKAHJXCHN-AWEZNQCLSA-N 0 0 466.593 -0.219 20 0 JBADRN C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N2CCSCC2)CC(=O)N1C ZINC001305165323 1070315129 /nfs/dbraw/zinc/31/51/29/1070315129.db2.gz NFRWRUKAHJXCHN-CQSZACIVSA-N 0 0 466.593 -0.219 20 0 JBADRN C[C@@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCNS(C)(=O)=O)CC(=O)N1C ZINC001305166041 1070315327 /nfs/dbraw/zinc/31/53/27/1070315327.db2.gz AAVXYYVVQUANPN-CYBMUJFWSA-N 0 0 474.547 -0.592 20 0 JBADRN C[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCNS(C)(=O)=O)CC(=O)N1C ZINC001305166042 1070315804 /nfs/dbraw/zinc/31/58/04/1070315804.db2.gz AAVXYYVVQUANPN-ZDUSSCGKSA-N 0 0 474.547 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C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC(=O)N1C ZINC001305175271 1070315554 /nfs/dbraw/zinc/31/55/54/1070315554.db2.gz MLAFHUDHLRAXDL-ZBFHGGJFSA-N 0 0 461.548 -0.125 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC2(CCOCC2)O1 ZINC001305176926 1070315763 /nfs/dbraw/zinc/31/57/63/1070315763.db2.gz VDSGRCCCDCYATK-CABCVRRESA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC2(CCOCC2)O1 ZINC001305176928 1070315658 /nfs/dbraw/zinc/31/56/58/1070315658.db2.gz VDSGRCCCDCYATK-GJZGRUSLSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC2(CCOCC2)O1 ZINC001305176930 1070315494 /nfs/dbraw/zinc/31/54/94/1070315494.db2.gz VDSGRCCCDCYATK-HUUCEWRRSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC2(CCOCC2)O1 ZINC001305176932 1070315702 /nfs/dbraw/zinc/31/57/02/1070315702.db2.gz VDSGRCCCDCYATK-LSDHHAIUSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C ZINC001305182951 1070315723 /nfs/dbraw/zinc/31/57/23/1070315723.db2.gz NQEWQZNCPLBIAT-ILXRZTDVSA-N 0 0 474.609 -0.871 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C ZINC001305182952 1070315638 /nfs/dbraw/zinc/31/56/38/1070315638.db2.gz NQEWQZNCPLBIAT-KFWWJZLASA-N 0 0 474.609 -0.871 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C ZINC001305182953 1070315512 /nfs/dbraw/zinc/31/55/12/1070315512.db2.gz NQEWQZNCPLBIAT-QLFBSQMISA-N 0 0 474.609 -0.871 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(=O)N1C ZINC001305182954 1070315474 /nfs/dbraw/zinc/31/54/74/1070315474.db2.gz NQEWQZNCPLBIAT-RBSFLKMASA-N 0 0 474.609 -0.871 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@@]2(CCOC2)O1 ZINC001305184823 1070315617 /nfs/dbraw/zinc/31/56/17/1070315617.db2.gz XFQUKDVHVLKUKB-FHSNZYRGSA-N 0 0 463.507 -0.054 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@@]2(CCOC2)O1 ZINC001305184824 1070315534 /nfs/dbraw/zinc/31/55/34/1070315534.db2.gz XFQUKDVHVLKUKB-SNUQEOBHSA-N 0 0 463.507 -0.054 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@]2(CCOC2)O1 ZINC001305184825 1070315826 /nfs/dbraw/zinc/31/58/26/1070315826.db2.gz XFQUKDVHVLKUKB-VBHSOAQHSA-N 0 0 463.507 -0.054 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@]2(CCOC2)O1 ZINC001305184826 1070315680 /nfs/dbraw/zinc/31/56/80/1070315680.db2.gz XFQUKDVHVLKUKB-VFVRVIDISA-N 0 0 463.507 -0.054 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)N(C)C)C[C@@H](C)O1 ZINC001305186593 1070316255 /nfs/dbraw/zinc/31/62/55/1070316255.db2.gz BPKJGQARXSKFGW-KFWWJZLASA-N 0 0 480.613 -0.884 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC001305186594 1070316211 /nfs/dbraw/zinc/31/62/11/1070316211.db2.gz BPKJGQARXSKFGW-QLFBSQMISA-N 0 0 480.613 -0.884 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)N(C)C)C[C@@H](C)O1 ZINC001305186595 1070316082 /nfs/dbraw/zinc/31/60/82/1070316082.db2.gz BPKJGQARXSKFGW-RBSFLKMASA-N 0 0 480.613 -0.884 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC001305186596 1070316168 /nfs/dbraw/zinc/31/61/68/1070316168.db2.gz BPKJGQARXSKFGW-ZNMIVQPWSA-N 0 0 480.613 -0.884 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cnn(C)c2)CC(=O)N1C ZINC001305187108 1070316313 /nfs/dbraw/zinc/31/63/13/1070316313.db2.gz CUDMITLHWMKNEH-DOTOQJQBSA-N 0 0 480.595 -0.356 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cnn(C)c2)CC(=O)N1C ZINC001305187109 1070315961 /nfs/dbraw/zinc/31/59/61/1070315961.db2.gz CUDMITLHWMKNEH-NVXWUHKLSA-N 0 0 480.595 -0.356 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cnn(C)c2)CC(=O)N1C ZINC001305187110 1070316005 /nfs/dbraw/zinc/31/60/05/1070316005.db2.gz CUDMITLHWMKNEH-RDJZCZTQSA-N 0 0 480.595 -0.356 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cnn(C)c2)CC(=O)N1C ZINC001305187111 1070316236 /nfs/dbraw/zinc/31/62/36/1070316236.db2.gz CUDMITLHWMKNEH-WBVHZDCISA-N 0 0 480.595 -0.356 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)NC2CC2)CCO1 ZINC001305187124 1070316186 /nfs/dbraw/zinc/31/61/86/1070316186.db2.gz CVXMQNRKRASKEL-GDBMZVCRSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)NC2CC2)CCO1 ZINC001305187125 1070316064 /nfs/dbraw/zinc/31/60/64/1070316064.db2.gz CVXMQNRKRASKEL-GOEBONIOSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)NC2CC2)CCO1 ZINC001305187126 1070316121 /nfs/dbraw/zinc/31/61/21/1070316121.db2.gz CVXMQNRKRASKEL-HOCLYGCPSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)NC2CC2)CCO1 ZINC001305187127 1070316367 /nfs/dbraw/zinc/31/63/67/1070316367.db2.gz CVXMQNRKRASKEL-ZBFHGGJFSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCOCC2)CC(=O)N1C ZINC001305187141 1070316103 /nfs/dbraw/zinc/31/61/03/1070316103.db2.gz CXFFDMZPSWVAFR-GDBMZVCRSA-N 0 0 456.569 -0.296 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCOCC2)CC(=O)N1C ZINC001305187143 1070316352 /nfs/dbraw/zinc/31/63/52/1070316352.db2.gz CXFFDMZPSWVAFR-GOEBONIOSA-N 0 0 456.569 -0.296 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCOCC2)CC(=O)N1C ZINC001305187146 1070315986 /nfs/dbraw/zinc/31/59/86/1070315986.db2.gz CXFFDMZPSWVAFR-HOCLYGCPSA-N 0 0 456.569 -0.296 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCOCC2)CC(=O)N1C ZINC001305187149 1070316334 /nfs/dbraw/zinc/31/63/34/1070316334.db2.gz CXFFDMZPSWVAFR-ZBFHGGJFSA-N 0 0 456.569 -0.296 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@@]2(CCCOC2)O1 ZINC001305187254 1070316386 /nfs/dbraw/zinc/31/63/86/1070316386.db2.gz DGDZSDWUPUVOLH-GQIGUUNPSA-N 0 0 486.595 -0.527 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@]2(CCCOC2)O1 ZINC001305187268 1070316504 /nfs/dbraw/zinc/31/65/04/1070316504.db2.gz DGDZSDWUPUVOLH-GUXCAODWSA-N 0 0 486.595 -0.527 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@@]2(CCCOC2)O1 ZINC001305187271 1070316478 /nfs/dbraw/zinc/31/64/78/1070316478.db2.gz DGDZSDWUPUVOLH-JXXFODFXSA-N 0 0 486.595 -0.527 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@]2(CCCOC2)O1 ZINC001305187274 1070316841 /nfs/dbraw/zinc/31/68/41/1070316841.db2.gz DGDZSDWUPUVOLH-QINHECLXSA-N 0 0 486.595 -0.527 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCOCC2)CCO1 ZINC001305187800 1070316745 /nfs/dbraw/zinc/31/67/45/1070316745.db2.gz FNCILLDVDDCXSL-DLBZAZTESA-N 0 0 472.612 -0.053 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCOCC2)CCO1 ZINC001305187805 1070316644 /nfs/dbraw/zinc/31/66/44/1070316644.db2.gz FNCILLDVDDCXSL-IAGOWNOFSA-N 0 0 472.612 -0.053 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCOCC2)CCO1 ZINC001305187806 1070316543 /nfs/dbraw/zinc/31/65/43/1070316543.db2.gz FNCILLDVDDCXSL-IRXDYDNUSA-N 0 0 472.612 -0.053 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCOCC2)CCO1 ZINC001305187807 1070316784 /nfs/dbraw/zinc/31/67/84/1070316784.db2.gz FNCILLDVDDCXSL-SJORKVTESA-N 0 0 472.612 -0.053 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CCCO1 ZINC001305188763 1070316880 /nfs/dbraw/zinc/31/68/80/1070316880.db2.gz HCGMSCANXCYXRW-KBPBESRZSA-N 0 0 451.571 -0.729 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CCCO1 ZINC001305188764 1070316900 /nfs/dbraw/zinc/31/69/00/1070316900.db2.gz HCGMSCANXCYXRW-KGLIPLIRSA-N 0 0 451.571 -0.729 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CCCO1 ZINC001305188765 1070316704 /nfs/dbraw/zinc/31/67/04/1070316704.db2.gz HCGMSCANXCYXRW-UONOGXRCSA-N 0 0 451.571 -0.729 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CCCO1 ZINC001305188766 1070316524 /nfs/dbraw/zinc/31/65/24/1070316524.db2.gz HCGMSCANXCYXRW-ZIAGYGMSSA-N 0 0 451.571 -0.729 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@H](O)C2)CC(=O)N1C ZINC001305189159 1070316822 /nfs/dbraw/zinc/31/68/22/1070316822.db2.gz IFJCSSKXQTXPRT-NCOADZHNSA-N 0 0 470.596 -0.171 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@H](O)C2)CC(=O)N1C ZINC001305189192 1070316860 /nfs/dbraw/zinc/31/68/60/1070316860.db2.gz IFJCSSKXQTXPRT-QZWWFDLISA-N 0 0 470.596 -0.171 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@@H](O)C2)CC(=O)N1C ZINC001305189193 1070316724 /nfs/dbraw/zinc/31/67/24/1070316724.db2.gz IFJCSSKXQTXPRT-TWMKSMIVSA-N 0 0 470.596 -0.171 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@@H](O)C2)CC(=O)N1C ZINC001305189194 1070316683 /nfs/dbraw/zinc/31/66/83/1070316683.db2.gz IFJCSSKXQTXPRT-VQHPVUNQSA-N 0 0 470.596 -0.171 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(F)F)CC(=O)N1C ZINC001305189280 1070316624 /nfs/dbraw/zinc/31/66/24/1070316624.db2.gz ITXCWLLHQHEGJV-CHWSQXEVSA-N 0 0 466.511 -0.093 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(F)F)CC(=O)N1C ZINC001305189296 1070316921 /nfs/dbraw/zinc/31/69/21/1070316921.db2.gz ITXCWLLHQHEGJV-OLZOCXBDSA-N 0 0 466.511 -0.093 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(F)F)CC(=O)N1C ZINC001305189299 1070316585 /nfs/dbraw/zinc/31/65/85/1070316585.db2.gz ITXCWLLHQHEGJV-QWHCGFSZSA-N 0 0 466.511 -0.093 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(F)F)CC(=O)N1C ZINC001305189302 1070316937 /nfs/dbraw/zinc/31/69/37/1070316937.db2.gz ITXCWLLHQHEGJV-STQMWFEESA-N 0 0 466.511 -0.093 20 0 JBADRN C[C@H]1OCC[C@]12CN(c1nnc([C@@H]3CCS(=O)(=O)C3)n1CCNS(C)(=O)=O)C[C@@H](C)O2 ZINC001305189307 1070316606 /nfs/dbraw/zinc/31/66/06/1070316606.db2.gz IVMWXUFQIQQHPZ-ADAWSYLGSA-N 0 0 477.609 -0.498 20 0 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CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCS(=O)(=O)NC ZINC001305787207 1070326957 /nfs/dbraw/zinc/32/69/57/1070326957.db2.gz MKVJGAJLDVAPHT-AWEZNQCLSA-N 0 0 456.573 -0.698 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCS(=O)(=O)NC ZINC001305787208 1070326602 /nfs/dbraw/zinc/32/66/02/1070326602.db2.gz MKVJGAJLDVAPHT-CQSZACIVSA-N 0 0 456.573 -0.698 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CCSCC1 ZINC001305787351 1070326917 /nfs/dbraw/zinc/32/69/17/1070326917.db2.gz NDWNSBDWYPDVKL-INIZCTEOSA-N 0 0 478.623 -0.608 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CCSCC1 ZINC001305787352 1070326850 /nfs/dbraw/zinc/32/68/50/1070326850.db2.gz NDWNSBDWYPDVKL-MRXNPFEDSA-N 0 0 478.623 -0.608 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCC(=O)N(C)C ZINC001305787696 1070326944 /nfs/dbraw/zinc/32/69/44/1070326944.db2.gz QUMRANAQEQWYBQ-HNNXBMFYSA-N 0 0 462.555 -0.788 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCC(=O)N(C)C ZINC001305787697 1070326624 /nfs/dbraw/zinc/32/66/24/1070326624.db2.gz QUMRANAQEQWYBQ-OAHLLOKOSA-N 0 0 462.555 -0.788 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCn1ccnc1C ZINC001305788287 1070326643 /nfs/dbraw/zinc/32/66/43/1070326643.db2.gz WHLIBWSFNYZMQI-KRWDZBQOSA-N 0 0 471.566 -0.061 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCn1ccnc1C ZINC001305788288 1070326802 /nfs/dbraw/zinc/32/68/02/1070326802.db2.gz WHLIBWSFNYZMQI-QGZVFWFLSA-N 0 0 471.566 -0.061 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCS(=O)(=O)NC ZINC001305789018 1070326883 /nfs/dbraw/zinc/32/68/83/1070326883.db2.gz ZFVAMFMNLAIIHF-GOSISDBHSA-N 0 0 457.557 -0.223 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCS(=O)(=O)NC ZINC001305789021 1070326522 /nfs/dbraw/zinc/32/65/22/1070326522.db2.gz ZFVAMFMNLAIIHF-SFHVURJKSA-N 0 0 457.557 -0.223 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001305789060 1070326728 /nfs/dbraw/zinc/32/67/28/1070326728.db2.gz ZLPVLTKREJRWFP-AUUYWEPGSA-N 0 0 458.585 -0.182 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001305789062 1070326749 /nfs/dbraw/zinc/32/67/49/1070326749.db2.gz ZLPVLTKREJRWFP-IFXJQAMLSA-N 0 0 458.585 -0.182 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001305789063 1070326560 /nfs/dbraw/zinc/32/65/60/1070326560.db2.gz ZLPVLTKREJRWFP-KUHUBIRLSA-N 0 0 458.585 -0.182 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001305789064 1070326542 /nfs/dbraw/zinc/32/65/42/1070326542.db2.gz ZLPVLTKREJRWFP-LIRRHRJNSA-N 0 0 458.585 -0.182 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001305789623 1070326709 /nfs/dbraw/zinc/32/67/09/1070326709.db2.gz FMJHIVDLRVVURK-GDBMZVCRSA-N 0 0 485.611 -0.571 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001305789628 1070326899 /nfs/dbraw/zinc/32/68/99/1070326899.db2.gz FMJHIVDLRVVURK-GOEBONIOSA-N 0 0 485.611 -0.571 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001305789630 1070326684 /nfs/dbraw/zinc/32/66/84/1070326684.db2.gz FMJHIVDLRVVURK-HOCLYGCPSA-N 0 0 485.611 -0.571 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001305789632 1070326786 /nfs/dbraw/zinc/32/67/86/1070326786.db2.gz FMJHIVDLRVVURK-ZBFHGGJFSA-N 0 0 485.611 -0.571 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CC1(C(N)=O)CCOCC1 ZINC001305790708 1070327241 /nfs/dbraw/zinc/32/72/41/1070327241.db2.gz WQLYJPQCJOFFOY-KRWDZBQOSA-N 0 0 463.583 -0.001 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CC1(C(N)=O)CCOCC1 ZINC001305790709 1070327492 /nfs/dbraw/zinc/32/74/92/1070327492.db2.gz WQLYJPQCJOFFOY-QGZVFWFLSA-N 0 0 463.583 -0.001 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCC(=O)N1CCOCC1 ZINC001305792203 1070327100 /nfs/dbraw/zinc/32/71/00/1070327100.db2.gz PDIDYGJDMMUDIJ-GOSISDBHSA-N 0 0 479.582 -0.213 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCC(=O)N1CCOCC1 ZINC001305792204 1070327223 /nfs/dbraw/zinc/32/72/23/1070327223.db2.gz PDIDYGJDMMUDIJ-SFHVURJKSA-N 0 0 479.582 -0.213 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001305799047 1070327126 /nfs/dbraw/zinc/32/71/26/1070327126.db2.gz VUFVKDZTENSRNG-CMPZQBNXSA-N 0 0 482.607 -0.197 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001305799049 1070327401 /nfs/dbraw/zinc/32/74/01/1070327401.db2.gz VUFVKDZTENSRNG-PXARDIRTSA-N 0 0 482.607 -0.197 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001305799139 1070327411 /nfs/dbraw/zinc/32/74/11/1070327411.db2.gz FHAYBIWHBYSURL-HNNXBMFYSA-N 0 0 470.596 -0.074 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001305799140 1070327146 /nfs/dbraw/zinc/32/71/46/1070327146.db2.gz FHAYBIWHBYSURL-OAHLLOKOSA-N 0 0 470.596 -0.074 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1CCN1CCCS1(=O)=O ZINC001305801263 1070327476 /nfs/dbraw/zinc/32/74/76/1070327476.db2.gz REKCXCLJVNSXFO-UHFFFAOYSA-N 0 0 462.598 -0.533 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CCC(=O)N1CCOCC1 ZINC001305803081 1070327165 /nfs/dbraw/zinc/32/71/65/1070327165.db2.gz ZKDYAGFHTDCZEA-NVXWUHKLSA-N 0 0 480.566 -0.194 20 0 JBADRN CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)OC ZINC001305806196 1070327186 /nfs/dbraw/zinc/32/71/86/1070327186.db2.gz DANMBFDXBIBPPK-CVEARBPZSA-N 0 0 485.611 -0.416 20 0 JBADRN CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)OC ZINC001305806206 1070327206 /nfs/dbraw/zinc/32/72/06/1070327206.db2.gz DANMBFDXBIBPPK-HOTGVXAUSA-N 0 0 485.611 -0.416 20 0 JBADRN 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CCN1C(=O)[C@H]2CN(c3nnc([C@@H]4CCCOC4)n3CCOCCS(C)(=O)=O)CCN2C1=O ZINC001313833914 1070385218 /nfs/dbraw/zinc/38/52/18/1070385218.db2.gz OPNMJHHJXIKAJU-HZPDHXFCSA-N 0 0 484.579 -0.294 20 0 JBADRN CCN1C(=O)[C@H]2CN(c3nnc([C@H]4CCCOC4)n3CCOCCS(C)(=O)=O)CCN2C1=O ZINC001313833916 1070385170 /nfs/dbraw/zinc/38/51/70/1070385170.db2.gz OPNMJHHJXIKAJU-JKSUJKDBSA-N 0 0 484.579 -0.294 20 0 JBADRN CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(OC)c4)n3CCS(=O)(=O)NC)CCN2C1=O ZINC001313834025 1070385283 /nfs/dbraw/zinc/38/52/83/1070385283.db2.gz PNFUQONKQHSOGJ-INIZCTEOSA-N 0 0 477.547 -0.024 20 0 JBADRN CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(OC)c4)n3CCS(=O)(=O)NC)CCN2C1=O ZINC001313834030 1070385156 /nfs/dbraw/zinc/38/51/56/1070385156.db2.gz PNFUQONKQHSOGJ-MRXNPFEDSA-N 0 0 477.547 -0.024 20 0 JBADRN CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(OC)cc4)n3CCNS(C)(=O)=O)CCN2C1=O ZINC001313834264 1070385305 /nfs/dbraw/zinc/38/53/05/1070385305.db2.gz QBRTYPHPARURFE-INIZCTEOSA-N 0 0 477.547 -0.024 20 0 JBADRN CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(OC)cc4)n3CCNS(C)(=O)=O)CCN2C1=O ZINC001313834265 1070385185 /nfs/dbraw/zinc/38/51/85/1070385185.db2.gz QBRTYPHPARURFE-MRXNPFEDSA-N 0 0 477.547 -0.024 20 0 JBADRN CCN1C(=O)[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCOC(C)C)CCN2C1=O ZINC001313835614 1070385018 /nfs/dbraw/zinc/38/50/18/1070385018.db2.gz VNLXJSHBGLOROZ-KBPBESRZSA-N 0 0 457.557 -0.214 20 0 JBADRN CCN1C(=O)[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCOC(C)C)CCN2C1=O ZINC001313835615 1070385267 /nfs/dbraw/zinc/38/52/67/1070385267.db2.gz VNLXJSHBGLOROZ-KGLIPLIRSA-N 0 0 457.557 -0.214 20 0 JBADRN CCN1C(=O)[C@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCOC(C)C)CCN2C1=O ZINC001313835616 1070385364 /nfs/dbraw/zinc/38/53/64/1070385364.db2.gz VNLXJSHBGLOROZ-UONOGXRCSA-N 0 0 457.557 -0.214 20 0 JBADRN CCN1C(=O)[C@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCOC(C)C)CCN2C1=O ZINC001313835617 1070385130 /nfs/dbraw/zinc/38/51/30/1070385130.db2.gz VNLXJSHBGLOROZ-ZIAGYGMSSA-N 0 0 457.557 -0.214 20 0 JBADRN CCn1cc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)cn1 ZINC001313836277 1070385320 /nfs/dbraw/zinc/38/53/20/1070385320.db2.gz UJZWAQQSAALICE-INIZCTEOSA-N 0 0 481.627 -0.095 20 0 JBADRN CCn1cc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)cn1 ZINC001313836278 1070385088 /nfs/dbraw/zinc/38/50/88/1070385088.db2.gz UJZWAQQSAALICE-MRXNPFEDSA-N 0 0 481.627 -0.095 20 0 JBADRN CCN1C(=O)[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3c(C)nn(C)c3C)CCN2C1=O ZINC001313836972 1070385040 /nfs/dbraw/zinc/38/50/40/1070385040.db2.gz ZZTIDQJBWQKUIM-BBRMVZONSA-N 0 0 493.594 -0.240 20 0 JBADRN CCN1C(=O)[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3c(C)nn(C)c3C)CCN2C1=O ZINC001313836973 1070385249 /nfs/dbraw/zinc/38/52/49/1070385249.db2.gz ZZTIDQJBWQKUIM-CJNGLKHVSA-N 0 0 493.594 -0.240 20 0 JBADRN CCN1C(=O)[C@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3c(C)nn(C)c3C)CCN2C1=O ZINC001313836974 1070385233 /nfs/dbraw/zinc/38/52/33/1070385233.db2.gz ZZTIDQJBWQKUIM-CZUORRHYSA-N 0 0 493.594 -0.240 20 0 JBADRN CCN1C(=O)[C@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3c(C)nn(C)c3C)CCN2C1=O ZINC001313836975 1070385618 /nfs/dbraw/zinc/38/56/18/1070385618.db2.gz ZZTIDQJBWQKUIM-XJKSGUPXSA-N 0 0 493.594 -0.240 20 0 JBADRN CCn1cc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C2CC2)cn1 ZINC001313837230 1070385563 /nfs/dbraw/zinc/38/55/63/1070385563.db2.gz BSKFFNWYVMKECL-KRWDZBQOSA-N 0 0 480.595 -0.010 20 0 JBADRN CCn1cc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C2CC2)cn1 ZINC001313837231 1070385772 /nfs/dbraw/zinc/38/57/72/1070385772.db2.gz BSKFFNWYVMKECL-QGZVFWFLSA-N 0 0 480.595 -0.010 20 0 JBADRN CCn1cc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)cn1 ZINC001313838007 1070385584 /nfs/dbraw/zinc/38/55/84/1070385584.db2.gz JDVFXHCNHOQEMF-INIZCTEOSA-N 0 0 468.584 -0.058 20 0 JBADRN CCn1cc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)cn1 ZINC001313838008 1070385843 /nfs/dbraw/zinc/38/58/43/1070385843.db2.gz JDVFXHCNHOQEMF-MRXNPFEDSA-N 0 0 468.584 -0.058 20 0 JBADRN CCn1cc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)cn1 ZINC001313844112 1070385600 /nfs/dbraw/zinc/38/56/00/1070385600.db2.gz WVCLPUDZKWZMHJ-IBGZPJMESA-N 0 0 451.553 -0.197 20 0 JBADRN CCn1cc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)cn1 ZINC001313844113 1070385731 /nfs/dbraw/zinc/38/57/31/1070385731.db2.gz WVCLPUDZKWZMHJ-LJQANCHMSA-N 0 0 451.553 -0.197 20 0 JBADRN CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@H](C)C2)cn1 ZINC001313846047 1070385713 /nfs/dbraw/zinc/38/57/13/1070385713.db2.gz GEUQFHOJWDNXDS-GDBMZVCRSA-N 0 0 466.568 -0.457 20 0 JBADRN CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC001313846053 1070385684 /nfs/dbraw/zinc/38/56/84/1070385684.db2.gz GEUQFHOJWDNXDS-GOEBONIOSA-N 0 0 466.568 -0.457 20 0 JBADRN CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC001313846055 1070385861 /nfs/dbraw/zinc/38/58/61/1070385861.db2.gz GEUQFHOJWDNXDS-HOCLYGCPSA-N 0 0 466.568 -0.457 20 0 JBADRN CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@H](C)C2)cn1 ZINC001313846057 1070385635 /nfs/dbraw/zinc/38/56/35/1070385635.db2.gz GEUQFHOJWDNXDS-ZBFHGGJFSA-N 0 0 466.568 -0.457 20 0 JBADRN CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(OCC(N)=O)CC2)cn1 ZINC001313846059 1070385669 /nfs/dbraw/zinc/38/56/69/1070385669.db2.gz GFOKMWWGUWUFFK-HNNXBMFYSA-N 0 0 451.553 -0.084 20 0 JBADRN CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(OCC(N)=O)CC2)cn1 ZINC001313846068 1070385527 /nfs/dbraw/zinc/38/55/27/1070385527.db2.gz GFOKMWWGUWUFFK-OAHLLOKOSA-N 0 0 451.553 -0.084 20 0 JBADRN CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cn1 ZINC001313846074 1070385788 /nfs/dbraw/zinc/38/57/88/1070385788.db2.gz GJLATRSONVJZAK-KRWDZBQOSA-N 0 0 492.606 -0.382 20 0 JBADRN CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cn1 ZINC001313846083 1070385824 /nfs/dbraw/zinc/38/58/24/1070385824.db2.gz GJLATRSONVJZAK-QGZVFWFLSA-N 0 0 492.606 -0.382 20 0 JBADRN CCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cn1 ZINC001313846233 1070385649 /nfs/dbraw/zinc/38/56/49/1070385649.db2.gz XISRTNUUCFEVFX-INIZCTEOSA-N 0 0 457.539 -0.333 20 0 JBADRN CCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cn1 ZINC001313846235 1070385807 /nfs/dbraw/zinc/38/58/07/1070385807.db2.gz XISRTNUUCFEVFX-MRXNPFEDSA-N 0 0 457.539 -0.333 20 0 JBADRN CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](CNC(C)=O)C2)cn1 ZINC001313846684 1070385696 /nfs/dbraw/zinc/38/56/96/1070385696.db2.gz QZRZKBJOVQVGJK-DLBZAZTESA-N 0 0 451.553 -0.214 20 0 JBADRN CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](CNC(C)=O)C2)cn1 ZINC001313846685 1070385879 /nfs/dbraw/zinc/38/58/79/1070385879.db2.gz QZRZKBJOVQVGJK-IAGOWNOFSA-N 0 0 451.553 -0.214 20 0 JBADRN CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cn1 ZINC001313846686 1070385751 /nfs/dbraw/zinc/38/57/51/1070385751.db2.gz QZRZKBJOVQVGJK-IRXDYDNUSA-N 0 0 451.553 -0.214 20 0 JBADRN CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cn1 ZINC001313846687 1070386356 /nfs/dbraw/zinc/38/63/56/1070386356.db2.gz QZRZKBJOVQVGJK-SJORKVTESA-N 0 0 451.553 -0.214 20 0 JBADRN CCn1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCNS(C)(=O)=O)c1=O ZINC001313848092 1070386076 /nfs/dbraw/zinc/38/60/76/1070386076.db2.gz ANGFBNCMHYBXDX-UHFFFAOYSA-N 0 0 451.553 -0.271 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)c1=O ZINC001313849959 1070386135 /nfs/dbraw/zinc/38/61/35/1070386135.db2.gz MESHQGVJARHCEW-KRWDZBQOSA-N 0 0 478.575 -0.295 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)c1=O ZINC001313849961 1070386188 /nfs/dbraw/zinc/38/61/88/1070386188.db2.gz MESHQGVJARHCEW-QGZVFWFLSA-N 0 0 478.575 -0.295 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1=O ZINC001313850375 1070386388 /nfs/dbraw/zinc/38/63/88/1070386388.db2.gz KLFNSJXDCWECQU-DOTOQJQBSA-N 0 0 473.534 -0.621 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1=O ZINC001313850376 1070386258 /nfs/dbraw/zinc/38/62/58/1070386258.db2.gz KLFNSJXDCWECQU-NVXWUHKLSA-N 0 0 473.534 -0.621 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c1=O ZINC001313850377 1070386038 /nfs/dbraw/zinc/38/60/38/1070386038.db2.gz KLFNSJXDCWECQU-RDJZCZTQSA-N 0 0 473.534 -0.621 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c1=O ZINC001313850378 1070386323 /nfs/dbraw/zinc/38/63/23/1070386323.db2.gz KLFNSJXDCWECQU-WBVHZDCISA-N 0 0 473.534 -0.621 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(=O)N(C)C)CC2)c1=O ZINC001313850390 1070386096 /nfs/dbraw/zinc/38/60/96/1070386096.db2.gz KRDLTMXEWDTCGS-INIZCTEOSA-N 0 0 494.622 -0.672 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(=O)N(C)C)CC2)c1=O ZINC001313850391 1070386372 /nfs/dbraw/zinc/38/63/72/1070386372.db2.gz KRDLTMXEWDTCGS-MRXNPFEDSA-N 0 0 494.622 -0.672 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CCOC)CC2)c1=O ZINC001313850425 1070386294 /nfs/dbraw/zinc/38/62/94/1070386294.db2.gz LTEGGLQZLAGVOO-INIZCTEOSA-N 0 0 467.596 -0.113 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CCOC)CC2)c1=O ZINC001313850426 1070386205 /nfs/dbraw/zinc/38/62/05/1070386205.db2.gz LTEGGLQZLAGVOO-MRXNPFEDSA-N 0 0 467.596 -0.113 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(=O)NCCOC)CC2)c1=O ZINC001313850688 1070386057 /nfs/dbraw/zinc/38/60/57/1070386057.db2.gz UIHLFIHNYQOZSO-IBGZPJMESA-N 0 0 473.578 -0.104 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(=O)NCCOC)CC2)c1=O ZINC001313850689 1070386240 /nfs/dbraw/zinc/38/62/40/1070386240.db2.gz UIHLFIHNYQOZSO-LJQANCHMSA-N 0 0 473.578 -0.104 20 0 JBADRN CCn1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)c1=O ZINC001313850829 1070386340 /nfs/dbraw/zinc/38/63/40/1070386340.db2.gz UXMDSLGEMVZFQG-UHFFFAOYSA-N 0 0 457.535 -0.075 20 0 JBADRN CCn1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)c1=O ZINC001313850997 1070386169 /nfs/dbraw/zinc/38/61/69/1070386169.db2.gz MNEIYZRRLKGDBL-UHFFFAOYSA-N 0 0 470.578 -0.046 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)c1=O ZINC001313851026 1070386115 /nfs/dbraw/zinc/38/61/15/1070386115.db2.gz WIZHNBRSPARFAV-KRWDZBQOSA-N 0 0 456.551 -0.331 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)c1=O ZINC001313851031 1070386010 /nfs/dbraw/zinc/38/60/10/1070386010.db2.gz WIZHNBRSPARFAV-QGZVFWFLSA-N 0 0 456.551 -0.331 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)COC)CC2)c1=O ZINC001313851404 1070386276 /nfs/dbraw/zinc/38/62/76/1070386276.db2.gz QOPZDOMCJGMOPV-HNNXBMFYSA-N 0 0 481.579 -0.587 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)COC)CC2)c1=O ZINC001313851405 1070386151 /nfs/dbraw/zinc/38/61/51/1070386151.db2.gz QOPZDOMCJGMOPV-OAHLLOKOSA-N 0 0 481.579 -0.587 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)c1=O ZINC001313851444 1070387078 /nfs/dbraw/zinc/38/70/78/1070387078.db2.gz RTDROIMCHJCUKH-KBPBESRZSA-N 0 0 451.553 -0.215 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)c1=O ZINC001313851445 1070386735 /nfs/dbraw/zinc/38/67/35/1070386735.db2.gz RTDROIMCHJCUKH-KGLIPLIRSA-N 0 0 451.553 -0.215 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)c1=O ZINC001313851446 1070386598 /nfs/dbraw/zinc/38/65/98/1070386598.db2.gz RTDROIMCHJCUKH-UONOGXRCSA-N 0 0 451.553 -0.215 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)c1=O ZINC001313851447 1070386865 /nfs/dbraw/zinc/38/68/65/1070386865.db2.gz RTDROIMCHJCUKH-ZIAGYGMSSA-N 0 0 451.553 -0.215 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](COC)C2)c1=O ZINC001313851648 1070386615 /nfs/dbraw/zinc/38/66/15/1070386615.db2.gz RTNVCXHIZPIOLI-GDBMZVCRSA-N 0 0 454.553 -0.030 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](COC)C2)c1=O ZINC001313851649 1070386915 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CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)C1 ZINC001314002395 1070406579 /nfs/dbraw/zinc/40/65/79/1070406579.db2.gz CRPXLJHPDUBWED-JKSUJKDBSA-N 0 0 456.569 -0.162 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCNS(C)(=O)=O)C1 ZINC001314003164 1070406428 /nfs/dbraw/zinc/40/64/28/1070406428.db2.gz TZHXBZMTSAZQHA-AWEZNQCLSA-N 0 0 459.598 -0.259 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCCNS(C)(=O)=O)C1 ZINC001314003165 1070406523 /nfs/dbraw/zinc/40/65/23/1070406523.db2.gz TZHXBZMTSAZQHA-CQSZACIVSA-N 0 0 459.598 -0.259 20 0 JBADRN CCNC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)N(C)C)CC1 ZINC001314004682 1070407186 /nfs/dbraw/zinc/40/71/86/1070407186.db2.gz QZBRWNVDJADDOM-HOTGVXAUSA-N 0 0 473.600 -0.255 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@H]2OC)C1 ZINC001314004686 1070407232 /nfs/dbraw/zinc/40/72/32/1070407232.db2.gz RBDCNHSDIREZQI-ARFHVFGLSA-N 0 0 458.585 -0.014 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@H]2OC)C1 ZINC001314004687 1070407308 /nfs/dbraw/zinc/40/73/08/1070407308.db2.gz RBDCNHSDIREZQI-BZUAXINKSA-N 0 0 458.585 -0.014 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@@H]2OC)C1 ZINC001314004688 1070407175 /nfs/dbraw/zinc/40/71/75/1070407175.db2.gz RBDCNHSDIREZQI-OAGGEKHMSA-N 0 0 458.585 -0.014 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001314004689 1070407298 /nfs/dbraw/zinc/40/72/98/1070407298.db2.gz RBDCNHSDIREZQI-XHSDSOJGSA-N 0 0 458.585 -0.014 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001314004792 1070407216 /nfs/dbraw/zinc/40/72/16/1070407216.db2.gz RYRYUNXARXGHCB-AUUYWEPGSA-N 0 0 453.569 -0.490 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001314004803 1070407209 /nfs/dbraw/zinc/40/72/09/1070407209.db2.gz RYRYUNXARXGHCB-IFXJQAMLSA-N 0 0 453.569 -0.490 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001314004804 1070407240 /nfs/dbraw/zinc/40/72/40/1070407240.db2.gz RYRYUNXARXGHCB-KUHUBIRLSA-N 0 0 453.569 -0.490 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001314004805 1070407319 /nfs/dbraw/zinc/40/73/19/1070407319.db2.gz RYRYUNXARXGHCB-LIRRHRJNSA-N 0 0 453.569 -0.490 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001314004873 1070407253 /nfs/dbraw/zinc/40/72/53/1070407253.db2.gz STLCEEGUGJAOTH-INIZCTEOSA-N 0 0 488.636 -0.143 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001314004875 1070407335 /nfs/dbraw/zinc/40/73/35/1070407335.db2.gz STLCEEGUGJAOTH-MRXNPFEDSA-N 0 0 488.636 -0.143 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001314004910 1070407222 /nfs/dbraw/zinc/40/72/22/1070407222.db2.gz TVBCZWFNUXWTTA-CVEARBPZSA-N 0 0 488.636 -0.001 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001314004911 1070407328 /nfs/dbraw/zinc/40/73/28/1070407328.db2.gz TVBCZWFNUXWTTA-HOTGVXAUSA-N 0 0 488.636 -0.001 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001314004912 1070407280 /nfs/dbraw/zinc/40/72/80/1070407280.db2.gz TVBCZWFNUXWTTA-HZPDHXFCSA-N 0 0 488.636 -0.001 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001314004913 1070407203 /nfs/dbraw/zinc/40/72/03/1070407203.db2.gz TVBCZWFNUXWTTA-JKSUJKDBSA-N 0 0 488.636 -0.001 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(O)CCOCC2)C1 ZINC001314004939 1070407268 /nfs/dbraw/zinc/40/72/68/1070407268.db2.gz UIQFXTLDFKISMC-HNNXBMFYSA-N 0 0 458.585 -0.134 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(O)CCOCC2)C1 ZINC001314004940 1070407340 /nfs/dbraw/zinc/40/73/40/1070407340.db2.gz UIQFXTLDFKISMC-OAHLLOKOSA-N 0 0 458.585 -0.134 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCOC2)C1 ZINC001314005188 1070407288 /nfs/dbraw/zinc/40/72/88/1070407288.db2.gz WYDBLAIFQOPFFY-BEFAXECRSA-N 0 0 458.585 -0.134 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCOC2)C1 ZINC001314005189 1070407197 /nfs/dbraw/zinc/40/71/97/1070407197.db2.gz WYDBLAIFQOPFFY-DNVCBOLYSA-N 0 0 458.585 -0.134 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCOC2)C1 ZINC001314005190 1070407192 /nfs/dbraw/zinc/40/71/92/1070407192.db2.gz WYDBLAIFQOPFFY-HNAYVOBHSA-N 0 0 458.585 -0.134 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCOC2)C1 ZINC001314005191 1070408119 /nfs/dbraw/zinc/40/81/19/1070408119.db2.gz WYDBLAIFQOPFFY-KXBFYZLASA-N 0 0 458.585 -0.134 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)CC)C1 ZINC001314006201 1070408149 /nfs/dbraw/zinc/40/81/49/1070408149.db2.gz DHUHMUDOPCHADS-UONOGXRCSA-N 0 0 450.587 -0.413 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)CC)C1 ZINC001314006207 1070408064 /nfs/dbraw/zinc/40/80/64/1070408064.db2.gz DHUHMUDOPCHADS-ZIAGYGMSSA-N 0 0 450.587 -0.413 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C1 ZINC001314006435 1070408125 /nfs/dbraw/zinc/40/81/25/1070408125.db2.gz AKWALWPWEFKNDY-CVEARBPZSA-N 0 0 471.609 -0.097 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C1 ZINC001314006436 1070408093 /nfs/dbraw/zinc/40/80/93/1070408093.db2.gz AKWALWPWEFKNDY-HOTGVXAUSA-N 0 0 471.609 -0.097 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C1 ZINC001314006437 1070407987 /nfs/dbraw/zinc/40/79/87/1070407987.db2.gz AKWALWPWEFKNDY-HZPDHXFCSA-N 0 0 471.609 -0.097 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C1 ZINC001314006438 1070408110 /nfs/dbraw/zinc/40/81/10/1070408110.db2.gz AKWALWPWEFKNDY-JKSUJKDBSA-N 0 0 471.609 -0.097 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)C1 ZINC001314006441 1070408085 /nfs/dbraw/zinc/40/80/85/1070408085.db2.gz ANWWHHZMKCLKJS-ARFHVFGLSA-N 0 0 492.624 -0.835 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)C1 ZINC001314006442 1070408130 /nfs/dbraw/zinc/40/81/30/1070408130.db2.gz ANWWHHZMKCLKJS-BZUAXINKSA-N 0 0 492.624 -0.835 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)C1 ZINC001314006443 1070407993 /nfs/dbraw/zinc/40/79/93/1070407993.db2.gz ANWWHHZMKCLKJS-OAGGEKHMSA-N 0 0 492.624 -0.835 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)C1 ZINC001314006444 1070408073 /nfs/dbraw/zinc/40/80/73/1070408073.db2.gz ANWWHHZMKCLKJS-XHSDSOJGSA-N 0 0 492.624 -0.835 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001314007215 1070408097 /nfs/dbraw/zinc/40/80/97/1070408097.db2.gz CKEQZRAXBSHQLT-CABCVRRESA-N 0 0 462.598 -0.665 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001314007216 1070408077 /nfs/dbraw/zinc/40/80/77/1070408077.db2.gz CKEQZRAXBSHQLT-GJZGRUSLSA-N 0 0 462.598 -0.665 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001314007218 1070408175 /nfs/dbraw/zinc/40/81/75/1070408175.db2.gz CKEQZRAXBSHQLT-HUUCEWRRSA-N 0 0 462.598 -0.665 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001314007220 1070408138 /nfs/dbraw/zinc/40/81/38/1070408138.db2.gz CKEQZRAXBSHQLT-LSDHHAIUSA-N 0 0 462.598 -0.665 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001314008281 1070408832 /nfs/dbraw/zinc/40/88/32/1070408832.db2.gz FIPPFLHLEMTGPD-HBUWYVDXSA-N 0 0 474.609 -0.824 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001314008284 1070408989 /nfs/dbraw/zinc/40/89/89/1070408989.db2.gz FIPPFLHLEMTGPD-IYOUNJFTSA-N 0 0 474.609 -0.824 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001314008285 1070408841 /nfs/dbraw/zinc/40/88/41/1070408841.db2.gz FIPPFLHLEMTGPD-LBTNJELSSA-N 0 0 474.609 -0.824 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001314008286 1070408788 /nfs/dbraw/zinc/40/87/88/1070408788.db2.gz FIPPFLHLEMTGPD-PMUMKWKESA-N 0 0 474.609 -0.824 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2cnn(C)n2)C1 ZINC001314008811 1070408913 /nfs/dbraw/zinc/40/89/13/1070408913.db2.gz GRRIJNUJEGXAEP-INIZCTEOSA-N 0 0 465.584 -0.320 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2cnn(C)n2)C1 ZINC001314008816 1070408862 /nfs/dbraw/zinc/40/88/62/1070408862.db2.gz GRRIJNUJEGXAEP-MRXNPFEDSA-N 0 0 465.584 -0.320 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CC(OCC)C2)C1 ZINC001314008981 1070408800 /nfs/dbraw/zinc/40/88/00/1070408800.db2.gz GHQWEUPPSDRLDK-LPRCSBTHSA-N 0 0 456.569 -0.323 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CC(OCC)C2)C1 ZINC001314008986 1070408826 /nfs/dbraw/zinc/40/88/26/1070408826.db2.gz GHQWEUPPSDRLDK-QXGUJMOYSA-N 0 0 456.569 -0.323 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CC(OCC)C2)C1 ZINC001314008988 1070408875 /nfs/dbraw/zinc/40/88/75/1070408875.db2.gz GHQWEUPPSDRLDK-UARSRXHTSA-N 0 0 456.569 -0.323 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CC(OCC)C2)C1 ZINC001314008990 1070408981 /nfs/dbraw/zinc/40/89/81/1070408981.db2.gz GHQWEUPPSDRLDK-YYHKSVKZSA-N 0 0 456.569 -0.323 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N(C)C)C1 ZINC001314009211 1070408899 /nfs/dbraw/zinc/40/88/99/1070408899.db2.gz NVSQAOYXAFDVSU-INIZCTEOSA-N 0 0 471.609 -0.327 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N(C)C)C1 ZINC001314009212 1070408813 /nfs/dbraw/zinc/40/88/13/1070408813.db2.gz NVSQAOYXAFDVSU-MRXNPFEDSA-N 0 0 471.609 -0.327 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001314009883 1070408946 /nfs/dbraw/zinc/40/89/46/1070408946.db2.gz IBSDNTPLCDAQMC-HZMVEIRTSA-N 0 0 491.636 -0.250 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@H]2OC)C1 ZINC001314009887 1070408939 /nfs/dbraw/zinc/40/89/39/1070408939.db2.gz IBSDNTPLCDAQMC-QBPKDAKJSA-N 0 0 491.636 -0.250 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@@H]2OC)C1 ZINC001314009889 1070408968 /nfs/dbraw/zinc/40/89/68/1070408968.db2.gz IBSDNTPLCDAQMC-VQHPVUNQSA-N 0 0 491.636 -0.250 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@H]2OC)C1 ZINC001314009891 1070408886 /nfs/dbraw/zinc/40/88/86/1070408886.db2.gz IBSDNTPLCDAQMC-YLFCFFPRSA-N 0 0 491.636 -0.250 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC(=O)N(C)C)C1 ZINC001314010162 1070408976 /nfs/dbraw/zinc/40/89/76/1070408976.db2.gz KZGIOTBMJJLJQK-HNNXBMFYSA-N 0 0 455.585 -0.213 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC(=O)N(C)C)C1 ZINC001314010164 1070408923 /nfs/dbraw/zinc/40/89/23/1070408923.db2.gz KZGIOTBMJJLJQK-OAHLLOKOSA-N 0 0 455.585 -0.213 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nncn2CC)C1 ZINC001314012020 1070408960 /nfs/dbraw/zinc/40/89/60/1070408960.db2.gz XPKASROJDNHHJA-AWEZNQCLSA-N 0 0 451.557 -0.422 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nncn2CC)C1 ZINC001314012022 1070409602 /nfs/dbraw/zinc/40/96/02/1070409602.db2.gz XPKASROJDNHHJA-CQSZACIVSA-N 0 0 451.557 -0.422 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOCC2)C1 ZINC001314012395 1070409536 /nfs/dbraw/zinc/40/95/36/1070409536.db2.gz QVVGPYOJCWOKQJ-CVEARBPZSA-N 0 0 455.585 -0.531 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOCC2)C1 ZINC001314012397 1070409609 /nfs/dbraw/zinc/40/96/09/1070409609.db2.gz QVVGPYOJCWOKQJ-HOTGVXAUSA-N 0 0 455.585 -0.531 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCOCC2)C1 ZINC001314012398 1070409494 /nfs/dbraw/zinc/40/94/94/1070409494.db2.gz QVVGPYOJCWOKQJ-HZPDHXFCSA-N 0 0 455.585 -0.531 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCOCC2)C1 ZINC001314012400 1070409511 /nfs/dbraw/zinc/40/95/11/1070409511.db2.gz QVVGPYOJCWOKQJ-JKSUJKDBSA-N 0 0 455.585 -0.531 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CC2)C1 ZINC001314012686 1070409630 /nfs/dbraw/zinc/40/96/30/1070409630.db2.gz SFXDUOQRBMFTEC-CABCVRRESA-N 0 0 476.625 -0.071 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CC2)C1 ZINC001314012689 1070409547 /nfs/dbraw/zinc/40/95/47/1070409547.db2.gz SFXDUOQRBMFTEC-GJZGRUSLSA-N 0 0 476.625 -0.071 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CC2)C1 ZINC001314012690 1070409528 /nfs/dbraw/zinc/40/95/28/1070409528.db2.gz SFXDUOQRBMFTEC-HUUCEWRRSA-N 0 0 476.625 -0.071 20 0 JBADRN 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CCO[C@]1(c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCS(=O)(=O)NC)CCOC1 ZINC001314146743 1070420918 /nfs/dbraw/zinc/42/09/18/1070420918.db2.gz WKCDPRULEQJIPC-ZRGWGRIASA-N 0 0 456.569 -0.558 20 0 JBADRN CCOC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CCCC1 ZINC001314147293 1070420987 /nfs/dbraw/zinc/42/09/87/1070420987.db2.gz AANXIEDDGKMWSN-CABCVRRESA-N 0 0 483.595 -0.615 20 0 JBADRN CCOC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CCCC1 ZINC001314147300 1070421044 /nfs/dbraw/zinc/42/10/44/1070421044.db2.gz AANXIEDDGKMWSN-GJZGRUSLSA-N 0 0 483.595 -0.615 20 0 JBADRN CCOC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CCCC1 ZINC001314147302 1070421056 /nfs/dbraw/zinc/42/10/56/1070421056.db2.gz AANXIEDDGKMWSN-HUUCEWRRSA-N 0 0 483.595 -0.615 20 0 JBADRN CCOC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CCCC1 ZINC001314147305 1070421114 /nfs/dbraw/zinc/42/11/14/1070421114.db2.gz AANXIEDDGKMWSN-LSDHHAIUSA-N 0 0 483.595 -0.615 20 0 JBADRN CCO[C@]1(c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC001314149975 1070420950 /nfs/dbraw/zinc/42/09/50/1070420950.db2.gz ZTBFWSZMPYKCRP-ABSDTBQOSA-N 0 0 471.580 -0.294 20 0 JBADRN CCO[C@]1(c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC001314149978 1070420898 /nfs/dbraw/zinc/42/08/98/1070420898.db2.gz ZTBFWSZMPYKCRP-FUHIMQAGSA-N 0 0 471.580 -0.294 20 0 JBADRN CCO[C@]1(c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC001314149981 1070421035 /nfs/dbraw/zinc/42/10/35/1070421035.db2.gz ZTBFWSZMPYKCRP-MBOZVWFJSA-N 0 0 471.580 -0.294 20 0 JBADRN CCO[C@]1(c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC001314149984 1070421069 /nfs/dbraw/zinc/42/10/69/1070421069.db2.gz ZTBFWSZMPYKCRP-SQGPQFPESA-N 0 0 471.580 -0.294 20 0 JBADRN CCOc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCS(C)(=O)=O)cc1OC ZINC001314178919 1070420938 /nfs/dbraw/zinc/42/09/38/1070420938.db2.gz HWTHWLQPFNJIAX-HNNXBMFYSA-N 0 0 492.558 -0.456 20 0 JBADRN CCOc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCS(C)(=O)=O)cc1OC ZINC001314178922 1070421022 /nfs/dbraw/zinc/42/10/22/1070421022.db2.gz HWTHWLQPFNJIAX-OAHLLOKOSA-N 0 0 492.558 -0.456 20 0 JBADRN CCOc1ccccc1OCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC(=O)N(C)C ZINC001314225973 1070421124 /nfs/dbraw/zinc/42/11/24/1070421124.db2.gz RDFSXWAFCYZLMA-HNNXBMFYSA-N 0 0 471.518 -0.509 20 0 JBADRN CCOc1ccccc1OCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC(=O)N(C)C ZINC001314225979 1070421707 /nfs/dbraw/zinc/42/17/07/1070421707.db2.gz RDFSXWAFCYZLMA-OAHLLOKOSA-N 0 0 471.518 -0.509 20 0 JBADRN CCOc1ccccc1OCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC(=O)N(C)C ZINC001314226434 1070421796 /nfs/dbraw/zinc/42/17/96/1070421796.db2.gz UEVJVAYHXOYQIM-INIZCTEOSA-N 0 0 485.545 -0.119 20 0 JBADRN CCOc1ccccc1OCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC(=O)N(C)C ZINC001314226436 1070421872 /nfs/dbraw/zinc/42/18/72/1070421872.db2.gz UEVJVAYHXOYQIM-MRXNPFEDSA-N 0 0 485.545 -0.119 20 0 JBADRN CCOc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001314233310 1070421713 /nfs/dbraw/zinc/42/17/13/1070421713.db2.gz IPRMNYGLBNPHIS-INIZCTEOSA-N 0 0 479.563 -0.269 20 0 JBADRN CCOc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001314233324 1070421907 /nfs/dbraw/zinc/42/19/07/1070421907.db2.gz IPRMNYGLBNPHIS-MRXNPFEDSA-N 0 0 479.563 -0.269 20 0 JBADRN CCOC1CC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001314234851 1070421724 /nfs/dbraw/zinc/42/17/24/1070421724.db2.gz SCQCRXWRNUILRH-CIDNJEQPSA-N 0 0 483.595 -0.760 20 0 JBADRN CCOC1CC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001314234853 1070421920 /nfs/dbraw/zinc/42/19/20/1070421920.db2.gz SCQCRXWRNUILRH-JWMHWRSXSA-N 0 0 483.595 -0.760 20 0 JBADRN CCOC1CC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001314234856 1070421690 /nfs/dbraw/zinc/42/16/90/1070421690.db2.gz SCQCRXWRNUILRH-UIDBIOKJSA-N 0 0 483.595 -0.760 20 0 JBADRN CCOC1CC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001314234858 1070421840 /nfs/dbraw/zinc/42/18/40/1070421840.db2.gz SCQCRXWRNUILRH-YHNBSYBMSA-N 0 0 483.595 -0.760 20 0 JBADRN CCOC1CC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)C1 ZINC001314238073 1070421857 /nfs/dbraw/zinc/42/18/57/1070421857.db2.gz HYIVPDHNFUSOMD-GPANFISMSA-N 0 0 456.569 -0.248 20 0 JBADRN CCOC1CC(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)C1 ZINC001314238074 1070421895 /nfs/dbraw/zinc/42/18/95/1070421895.db2.gz HYIVPDHNFUSOMD-UYSNPLJNSA-N 0 0 456.569 -0.248 20 0 JBADRN CCOC1CC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)(N2CCOCC2)C1 ZINC001314238837 1070421756 /nfs/dbraw/zinc/42/17/56/1070421756.db2.gz BSNUFMYIOFQAHY-BQJIDLTASA-N 0 0 499.638 -0.563 20 0 JBADRN CCOC1CC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)(N2CCOCC2)C1 ZINC001314238840 1070421733 /nfs/dbraw/zinc/42/17/33/1070421733.db2.gz BSNUFMYIOFQAHY-ZGGTZUKQSA-N 0 0 499.638 -0.563 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(=O)NC)C2)C1 ZINC001314249975 1070421789 /nfs/dbraw/zinc/42/17/89/1070421789.db2.gz CSPQKDHVESUHQU-AGDHPHLSSA-N 0 0 458.585 -0.219 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001314249976 1070421700 /nfs/dbraw/zinc/42/17/00/1070421700.db2.gz CSPQKDHVESUHQU-CRBFVWNYSA-N 0 0 458.585 -0.219 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(=O)NC)C2)C1 ZINC001314249977 1070421878 /nfs/dbraw/zinc/42/18/78/1070421878.db2.gz CSPQKDHVESUHQU-NVBJEIKVSA-N 0 0 458.585 -0.219 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001314249978 1070421828 /nfs/dbraw/zinc/42/18/28/1070421828.db2.gz CSPQKDHVESUHQU-VKFAAQBISA-N 0 0 458.585 -0.219 20 0 JBADRN CCOC1CC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001314253076 1070421933 /nfs/dbraw/zinc/42/19/33/1070421933.db2.gz NKNUCGNLOIZHHN-UHFFFAOYSA-N 0 0 456.569 -0.474 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001314253949 1070421885 /nfs/dbraw/zinc/42/18/85/1070421885.db2.gz PPOUPHPWUPASID-VNSJNIRKSA-N 0 0 460.557 -0.293 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001314253958 1070421773 /nfs/dbraw/zinc/42/17/73/1070421773.db2.gz PPOUPHPWUPASID-WRSVWVKZSA-N 0 0 460.557 -0.293 20 0 JBADRN CCOC1CC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)COC)CC2)C1 ZINC001314253962 1070422694 /nfs/dbraw/zinc/42/26/94/1070422694.db2.gz PQOYBXJXYXFLFN-UHFFFAOYSA-N 0 0 450.540 -0.261 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CNC(=O)C3)CC2)C1 ZINC001314255538 1070422744 /nfs/dbraw/zinc/42/27/44/1070422744.db2.gz WAQYNUAWFAZZLP-BQTBQCLESA-N 0 0 470.596 -0.075 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(CNC(=O)C3)CC2)C1 ZINC001314255539 1070422779 /nfs/dbraw/zinc/42/27/79/1070422779.db2.gz WAQYNUAWFAZZLP-ZUIJCZDSSA-N 0 0 470.596 -0.075 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)C1 ZINC001314256110 1070422793 /nfs/dbraw/zinc/42/27/93/1070422793.db2.gz YNZICNHJSWJYRW-AGDHPHLSSA-N 0 0 472.568 -0.151 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)C1 ZINC001314256112 1070422678 /nfs/dbraw/zinc/42/26/78/1070422678.db2.gz YNZICNHJSWJYRW-CRBFVWNYSA-N 0 0 472.568 -0.151 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)C1 ZINC001314256114 1070422762 /nfs/dbraw/zinc/42/27/62/1070422762.db2.gz YNZICNHJSWJYRW-NVBJEIKVSA-N 0 0 472.568 -0.151 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)C1 ZINC001314256116 1070422737 /nfs/dbraw/zinc/42/27/37/1070422737.db2.gz YNZICNHJSWJYRW-VKFAAQBISA-N 0 0 472.568 -0.151 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)C1 ZINC001314260759 1070422721 /nfs/dbraw/zinc/42/27/21/1070422721.db2.gz DQQQRZYJFWCZLF-HITAIPBASA-N 0 0 459.569 -0.234 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)C1 ZINC001314260760 1070422784 /nfs/dbraw/zinc/42/27/84/1070422784.db2.gz DQQQRZYJFWCZLF-QCTRZYONSA-N 0 0 459.569 -0.234 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)C1 ZINC001314260761 1070422729 /nfs/dbraw/zinc/42/27/29/1070422729.db2.gz DQQQRZYJFWCZLF-UYFTZEKXSA-N 0 0 459.569 -0.234 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)C1 ZINC001314260762 1070422687 /nfs/dbraw/zinc/42/26/87/1070422687.db2.gz DQQQRZYJFWCZLF-XZZQLLPFSA-N 0 0 459.569 -0.234 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)C1 ZINC001314260817 1070422701 /nfs/dbraw/zinc/42/27/01/1070422701.db2.gz HAQXENGAYLIYCB-MLBPIDQTSA-N 0 0 457.553 -0.939 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)C1 ZINC001314260818 1070422788 /nfs/dbraw/zinc/42/27/88/1070422788.db2.gz HAQXENGAYLIYCB-PPXVZNSRSA-N 0 0 457.553 -0.939 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)C1 ZINC001314260819 1070422708 /nfs/dbraw/zinc/42/27/08/1070422708.db2.gz HAQXENGAYLIYCB-RQMAVPSVSA-N 0 0 457.553 -0.939 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)C1 ZINC001314260820 1070422796 /nfs/dbraw/zinc/42/27/96/1070422796.db2.gz HAQXENGAYLIYCB-XNDRKVBMSA-N 0 0 457.553 -0.939 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001314260821 1070422714 /nfs/dbraw/zinc/42/27/14/1070422714.db2.gz HBNMQJIPVLBICX-DQLYFJKKSA-N 0 0 486.595 -0.792 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001314260822 1070422672 /nfs/dbraw/zinc/42/26/72/1070422672.db2.gz HBNMQJIPVLBICX-JQCXZVQFSA-N 0 0 486.595 -0.792 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001314260823 1070422770 /nfs/dbraw/zinc/42/27/70/1070422770.db2.gz HBNMQJIPVLBICX-OXJONJSCSA-N 0 0 486.595 -0.792 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001314260824 1070422756 /nfs/dbraw/zinc/42/27/56/1070422756.db2.gz HBNMQJIPVLBICX-ZZPBVIFJSA-N 0 0 486.595 -0.792 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001314261087 1070422657 /nfs/dbraw/zinc/42/26/57/1070422657.db2.gz LOTKWUVQERRKJV-LFDOHDQPSA-N 0 0 488.611 -0.498 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001314261088 1070423435 /nfs/dbraw/zinc/42/34/35/1070423435.db2.gz LOTKWUVQERRKJV-NGEICVOHSA-N 0 0 488.611 -0.498 20 0 JBADRN CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)COC)CC2)C1 ZINC001314261404 1070423527 /nfs/dbraw/zinc/42/35/27/1070423527.db2.gz QVYHMXYXBAOYOL-LSWWBPAMSA-N 0 0 471.580 -0.595 20 0 JBADRN CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)COC)CC2)C1 ZINC001314261405 1070423581 /nfs/dbraw/zinc/42/35/81/1070423581.db2.gz QVYHMXYXBAOYOL-SHPPYHEDSA-N 0 0 471.580 -0.595 20 0 JBADRN CCOC1CC(O)(Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001314262581 1070423561 /nfs/dbraw/zinc/42/35/61/1070423561.db2.gz DMUNOTNBHPFRMV-UHFFFAOYSA-N 0 0 450.540 -0.375 20 0 JBADRN CCO[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)C1 ZINC001314268610 1070423604 /nfs/dbraw/zinc/42/36/04/1070423604.db2.gz PFXIRHMEIGFCDQ-KBPBESRZSA-N 0 0 452.603 -0.215 20 0 JBADRN CCO[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)C1 ZINC001314268611 1070423510 /nfs/dbraw/zinc/42/35/10/1070423510.db2.gz PFXIRHMEIGFCDQ-KGLIPLIRSA-N 0 0 452.603 -0.215 20 0 JBADRN CCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)C1 ZINC001314268612 1070423463 /nfs/dbraw/zinc/42/34/63/1070423463.db2.gz PFXIRHMEIGFCDQ-UONOGXRCSA-N 0 0 452.603 -0.215 20 0 JBADRN CCO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)C1 ZINC001314268613 1070423555 /nfs/dbraw/zinc/42/35/55/1070423555.db2.gz PFXIRHMEIGFCDQ-ZIAGYGMSSA-N 0 0 452.603 -0.215 20 0 JBADRN CCO[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C1 ZINC001314274420 1070423541 /nfs/dbraw/zinc/42/35/41/1070423541.db2.gz MXSARTOGYZLXRJ-KBPBESRZSA-N 0 0 480.538 -0.002 20 0 JBADRN CCO[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C1 ZINC001314274424 1070423609 /nfs/dbraw/zinc/42/36/09/1070423609.db2.gz MXSARTOGYZLXRJ-KGLIPLIRSA-N 0 0 480.538 -0.002 20 0 JBADRN CCO[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C1 ZINC001314274426 1070423449 /nfs/dbraw/zinc/42/34/49/1070423449.db2.gz MXSARTOGYZLXRJ-UONOGXRCSA-N 0 0 480.538 -0.002 20 0 JBADRN CCO[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C1 ZINC001314274428 1070423517 /nfs/dbraw/zinc/42/35/17/1070423517.db2.gz MXSARTOGYZLXRJ-ZIAGYGMSSA-N 0 0 480.538 -0.002 20 0 JBADRN CCOCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001314285179 1070423591 /nfs/dbraw/zinc/42/35/91/1070423591.db2.gz OTAUMRSYXMMBIN-CVEARBPZSA-N 0 0 488.611 -0.375 20 0 JBADRN 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/nfs/dbraw/zinc/44/23/28/1070442328.db2.gz SNIDBAMUMILEED-HNNXBMFYSA-N 0 0 464.614 -0.417 20 0 JBADRN CCS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001314554289 1070442254 /nfs/dbraw/zinc/44/22/54/1070442254.db2.gz SNIDBAMUMILEED-OAHLLOKOSA-N 0 0 464.614 -0.417 20 0 JBADRN CCS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001314554514 1070442270 /nfs/dbraw/zinc/44/22/70/1070442270.db2.gz UXYZAYJMZMPXSH-CABCVRRESA-N 0 0 489.624 -0.934 20 0 JBADRN CCS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001314554519 1070442302 /nfs/dbraw/zinc/44/23/02/1070442302.db2.gz UXYZAYJMZMPXSH-GJZGRUSLSA-N 0 0 489.624 -0.934 20 0 JBADRN CCS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001314554521 1070442297 /nfs/dbraw/zinc/44/22/97/1070442297.db2.gz UXYZAYJMZMPXSH-HUUCEWRRSA-N 0 0 489.624 -0.934 20 0 JBADRN CCS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001314554523 1070442258 /nfs/dbraw/zinc/44/22/58/1070442258.db2.gz UXYZAYJMZMPXSH-LSDHHAIUSA-N 0 0 489.624 -0.934 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001314555374 1070442262 /nfs/dbraw/zinc/44/22/62/1070442262.db2.gz DXLNLMRPRXUQKH-UHFFFAOYSA-N 0 0 459.598 -0.305 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001314555385 1070442319 /nfs/dbraw/zinc/44/23/19/1070442319.db2.gz FDGDTHPWMVVLFS-UHFFFAOYSA-N 0 0 478.579 -0.146 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001314555513 1070442293 /nfs/dbraw/zinc/44/22/93/1070442293.db2.gz IXFRFSBYGVVKQL-UHFFFAOYSA-N 0 0 473.563 -0.025 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001314555632 1070442330 /nfs/dbraw/zinc/44/23/30/1070442330.db2.gz MUFLHEAEVZWOSA-UHFFFAOYSA-N 0 0 451.553 -0.117 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001314555635 1070442310 /nfs/dbraw/zinc/44/23/10/1070442310.db2.gz MWMGLEPTTCUKFJ-KRWDZBQOSA-N 0 0 457.582 -0.367 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001314555636 1070442273 /nfs/dbraw/zinc/44/22/73/1070442273.db2.gz MWMGLEPTTCUKFJ-QGZVFWFLSA-N 0 0 457.582 -0.367 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001314555790 1070442275 /nfs/dbraw/zinc/44/22/75/1070442275.db2.gz SDGQOUYJDQLLKL-HNNXBMFYSA-N 0 0 477.595 -0.537 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001314555791 1070442877 /nfs/dbraw/zinc/44/28/77/1070442877.db2.gz SDGQOUYJDQLLKL-OAHLLOKOSA-N 0 0 477.595 -0.537 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001314555844 1070442947 /nfs/dbraw/zinc/44/29/47/1070442947.db2.gz UTRJFMMFTXRLME-UHFFFAOYSA-N 0 0 478.579 -0.250 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001314555935 1070442865 /nfs/dbraw/zinc/44/28/65/1070442865.db2.gz XZXCFQBMAFHRGR-INIZCTEOSA-N 0 0 464.552 -0.498 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001314555936 1070442914 /nfs/dbraw/zinc/44/29/14/1070442914.db2.gz XZXCFQBMAFHRGR-MRXNPFEDSA-N 0 0 464.552 -0.498 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001314556098 1070442992 /nfs/dbraw/zinc/44/29/92/1070442992.db2.gz ADCAISMNLVMTLA-AWEZNQCLSA-N 0 0 450.587 -0.807 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001314556099 1070442905 /nfs/dbraw/zinc/44/29/05/1070442905.db2.gz ADCAISMNLVMTLA-CQSZACIVSA-N 0 0 450.587 -0.807 20 0 JBADRN CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001314556198 1070442971 /nfs/dbraw/zinc/44/29/71/1070442971.db2.gz DCDMVIJEFNHHNZ-UHFFFAOYSA-N 0 0 455.585 -0.256 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001314556240 1070442978 /nfs/dbraw/zinc/44/29/78/1070442978.db2.gz FLLMSSGFYBGZQI-UHFFFAOYSA-N 0 0 458.548 -0.140 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001314556295 1070442952 /nfs/dbraw/zinc/44/29/52/1070442952.db2.gz HHMSHFUVRBRISA-INIZCTEOSA-N 0 0 476.563 -0.593 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001314556296 1070442984 /nfs/dbraw/zinc/44/29/84/1070442984.db2.gz HHMSHFUVRBRISA-MRXNPFEDSA-N 0 0 476.563 -0.593 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001314556315 1070442932 /nfs/dbraw/zinc/44/29/32/1070442932.db2.gz DECTVCWHDOTUGH-BBWFWOEESA-N 0 0 492.668 -0.335 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001314556317 1070442922 /nfs/dbraw/zinc/44/29/22/1070442922.db2.gz DECTVCWHDOTUGH-IXDOHACOSA-N 0 0 492.668 -0.335 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001314556893 1070442886 /nfs/dbraw/zinc/44/28/86/1070442886.db2.gz BISYBXBPGWLJPV-UHFFFAOYSA-N 0 0 493.590 -0.177 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001314556978 1070442958 /nfs/dbraw/zinc/44/29/58/1070442958.db2.gz CXSGNSMGKHZLDL-INIZCTEOSA-N 0 0 478.579 -0.011 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001314556980 1070442873 /nfs/dbraw/zinc/44/28/73/1070442873.db2.gz CXSGNSMGKHZLDL-MRXNPFEDSA-N 0 0 478.579 -0.011 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001314557175 1070442938 /nfs/dbraw/zinc/44/29/38/1070442938.db2.gz FONYEOWZOOFUBK-HNNXBMFYSA-N 0 0 464.614 -0.069 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 ZINC001314557473 1070442966 /nfs/dbraw/zinc/44/29/66/1070442966.db2.gz OCAIUCKZSSHHFW-UHFFFAOYSA-N 0 0 467.577 -0.309 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 ZINC001314558082 1070443749 /nfs/dbraw/zinc/44/37/49/1070443749.db2.gz NCDAOFBONGVYPO-JKSUJKDBSA-N 0 0 476.625 -0.213 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 ZINC001314558098 1070443770 /nfs/dbraw/zinc/44/37/70/1070443770.db2.gz NIOFZIHACQWJID-HNNXBMFYSA-N 0 0 476.581 -0.220 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 ZINC001314558100 1070443802 /nfs/dbraw/zinc/44/38/02/1070443802.db2.gz NIOFZIHACQWJID-OAHLLOKOSA-N 0 0 476.581 -0.220 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 ZINC001314558139 1070443764 /nfs/dbraw/zinc/44/37/64/1070443764.db2.gz NPZIBDVMNCEBFU-HNNXBMFYSA-N 0 0 462.598 -0.822 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 ZINC001314558140 1070443744 /nfs/dbraw/zinc/44/37/44/1070443744.db2.gz NPZIBDVMNCEBFU-OAHLLOKOSA-N 0 0 462.598 -0.822 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 ZINC001314558191 1070443734 /nfs/dbraw/zinc/44/37/34/1070443734.db2.gz OGBNPKIZLKZAOG-AWEZNQCLSA-N 0 0 450.587 -0.461 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 ZINC001314558192 1070443768 /nfs/dbraw/zinc/44/37/68/1070443768.db2.gz OGBNPKIZLKZAOG-CQSZACIVSA-N 0 0 450.587 -0.461 20 0 JBADRN CCS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001314558284 1070443799 /nfs/dbraw/zinc/44/37/99/1070443799.db2.gz VIWHMOGSUJKSOF-KRWDZBQOSA-N 0 0 450.565 -0.046 20 0 JBADRN CCS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001314558285 1070443774 /nfs/dbraw/zinc/44/37/74/1070443774.db2.gz VIWHMOGSUJKSOF-QGZVFWFLSA-N 0 0 450.565 -0.046 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001314558400 1070443739 /nfs/dbraw/zinc/44/37/39/1070443739.db2.gz JHFNWMWLSVXDLG-HNNXBMFYSA-N 0 0 468.609 -0.053 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001314558401 1070443786 /nfs/dbraw/zinc/44/37/86/1070443786.db2.gz JHFNWMWLSVXDLG-OAHLLOKOSA-N 0 0 468.609 -0.053 20 0 JBADRN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001314558714 1070443755 /nfs/dbraw/zinc/44/37/55/1070443755.db2.gz LBAUCWQAXZNTSD-VYMQAWTISA-N 0 0 459.598 -0.241 20 0 JBADRN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001314558716 1070443789 /nfs/dbraw/zinc/44/37/89/1070443789.db2.gz LBAUCWQAXZNTSD-WBHWENKQSA-N 0 0 459.598 -0.241 20 0 JBADRN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001314558719 1070443783 /nfs/dbraw/zinc/44/37/83/1070443783.db2.gz LBAUCWQAXZNTSD-YPLATFLCSA-N 0 0 459.598 -0.241 20 0 JBADRN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001314558721 1070443780 /nfs/dbraw/zinc/44/37/80/1070443780.db2.gz LBAUCWQAXZNTSD-YSVMAZNTSA-N 0 0 459.598 -0.241 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001314558844 1070443712 /nfs/dbraw/zinc/44/37/12/1070443712.db2.gz NLOPBXUGXPPKNU-UHFFFAOYSA-N 0 0 475.575 -0.188 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001314559211 1070443760 /nfs/dbraw/zinc/44/37/60/1070443760.db2.gz FOVSJOAAPPMBND-QOKNQOGYSA-N 0 0 456.569 -0.200 20 0 JBADRN 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CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 ZINC001314559463 1070444421 /nfs/dbraw/zinc/44/44/21/1070444421.db2.gz RDTBTBWLPQTUFR-HNNXBMFYSA-N 0 0 477.609 -0.495 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 ZINC001314559499 1070444454 /nfs/dbraw/zinc/44/44/54/1070444454.db2.gz RDTBTBWLPQTUFR-OAHLLOKOSA-N 0 0 477.609 -0.495 20 0 JBADRN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001314559636 1070444438 /nfs/dbraw/zinc/44/44/38/1070444438.db2.gz NORWZLQACGRLLO-CXHCJZKCSA-N 0 0 455.628 -0.330 20 0 JBADRN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001314559639 1070444326 /nfs/dbraw/zinc/44/43/26/1070444326.db2.gz NORWZLQACGRLLO-DDDOEAIBSA-N 0 0 455.628 -0.330 20 0 JBADRN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001314559641 1070444444 /nfs/dbraw/zinc/44/44/44/1070444444.db2.gz NORWZLQACGRLLO-VXLFJPSPSA-N 0 0 455.628 -0.330 20 0 JBADRN 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CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccn(C)n2)CC1 ZINC001315058969 1070507887 /nfs/dbraw/zinc/50/78/87/1070507887.db2.gz SDRNGZIVJBTXOE-MRXNPFEDSA-N 0 0 481.583 -0.951 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001315059064 1070507806 /nfs/dbraw/zinc/50/78/06/1070507806.db2.gz SNGFPFKUFCCYFI-AWEZNQCLSA-N 0 0 455.585 -0.054 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001315059065 1070507650 /nfs/dbraw/zinc/50/76/50/1070507650.db2.gz SNGFPFKUFCCYFI-CQSZACIVSA-N 0 0 455.585 -0.054 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OC)CC1 ZINC001315059432 1070507774 /nfs/dbraw/zinc/50/77/74/1070507774.db2.gz VTIPLOJQWVLYPI-INIZCTEOSA-N 0 0 494.578 -0.476 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OC)CC1 ZINC001315059442 1070507757 /nfs/dbraw/zinc/50/77/57/1070507757.db2.gz VTIPLOJQWVLYPI-MRXNPFEDSA-N 0 0 494.578 -0.476 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(OC)C2CC2)CC1 ZINC001315059610 1070507707 /nfs/dbraw/zinc/50/77/07/1070507707.db2.gz XGFVNIFHZJIJSS-JXFKEZNVSA-N 0 0 485.611 -0.113 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(OC)C2CC2)CC1 ZINC001315059613 1070507590 /nfs/dbraw/zinc/50/75/90/1070507590.db2.gz XGFVNIFHZJIJSS-OXJNMPFZSA-N 0 0 485.611 -0.113 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(OC)C2CC2)CC1 ZINC001315059615 1070507820 /nfs/dbraw/zinc/50/78/20/1070507820.db2.gz XGFVNIFHZJIJSS-OXQOHEQNSA-N 0 0 485.611 -0.113 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(OC)C2CC2)CC1 ZINC001315059616 1070507865 /nfs/dbraw/zinc/50/78/65/1070507865.db2.gz XGFVNIFHZJIJSS-UZLBHIALSA-N 0 0 485.611 -0.113 20 0 JBADRN CNC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N2CCOCC2)CC1 ZINC001315060604 1070508243 /nfs/dbraw/zinc/50/82/43/1070508243.db2.gz ZBIWGXOUVLIJJG-UHFFFAOYSA-N 0 0 459.555 -0.150 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC001315061838 1070508459 /nfs/dbraw/zinc/50/84/59/1070508459.db2.gz AQPOEOQKKHIRDV-UHFFFAOYSA-N 0 0 475.575 -0.186 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CCN(CC(=O)NCCOC)CC2)c1 ZINC001315062202 1070508356 /nfs/dbraw/zinc/50/83/56/1070508356.db2.gz KCTUTWRHEBSNKE-UHFFFAOYSA-N 0 0 465.580 -0.572 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001315062490 1070508444 /nfs/dbraw/zinc/50/84/44/1070508444.db2.gz FRQQOIPVUWKWOT-UHFFFAOYSA-N 0 0 496.413 -0.334 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001315062529 1070508561 /nfs/dbraw/zinc/50/85/61/1070508561.db2.gz FYXUUMCSOLTUFA-AWEZNQCLSA-N 0 0 465.536 -0.275 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001315062531 1070508376 /nfs/dbraw/zinc/50/83/76/1070508376.db2.gz FYXUUMCSOLTUFA-CQSZACIVSA-N 0 0 465.536 -0.275 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 ZINC001315063001 1070508411 /nfs/dbraw/zinc/50/84/11/1070508411.db2.gz CKTHDKBGRNHJBF-AWEZNQCLSA-N 0 0 491.665 -0.179 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 ZINC001315063002 1070508273 /nfs/dbraw/zinc/50/82/73/1070508273.db2.gz CKTHDKBGRNHJBF-CQSZACIVSA-N 0 0 491.665 -0.179 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)c1 ZINC001315063097 1070508500 /nfs/dbraw/zinc/50/85/00/1070508500.db2.gz FUCPPDQJLRWQAY-HNNXBMFYSA-N 0 0 455.562 -0.027 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)c1 ZINC001315063098 1070508392 /nfs/dbraw/zinc/50/83/92/1070508392.db2.gz FUCPPDQJLRWQAY-OAHLLOKOSA-N 0 0 455.562 -0.027 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001315063120 1070508341 /nfs/dbraw/zinc/50/83/41/1070508341.db2.gz JNQMNZQCMJKUQG-CYBMUJFWSA-N 0 0 490.384 -0.074 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001315063121 1070508570 /nfs/dbraw/zinc/50/85/70/1070508570.db2.gz JNQMNZQCMJKUQG-ZDUSSCGKSA-N 0 0 490.384 -0.074 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001315063318 1070508321 /nfs/dbraw/zinc/50/83/21/1070508321.db2.gz DAKWFZUBVOCVQP-UHFFFAOYSA-N 0 0 473.497 -0.012 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O ZINC001315063365 1070508307 /nfs/dbraw/zinc/50/83/07/1070508307.db2.gz FITGGNAIBNDNTD-UHFFFAOYSA-N 0 0 489.558 -0.204 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001315063374 1070508535 /nfs/dbraw/zinc/50/85/35/1070508535.db2.gz FLOXGFDLLVZVOL-KRWDZBQOSA-N 0 0 469.612 -0.388 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCNC(=O)C2)c1 ZINC001315063534 1070509231 /nfs/dbraw/zinc/50/92/31/1070509231.db2.gz VPGKVILYWMBHQM-AWEZNQCLSA-N 0 0 452.537 -0.105 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCNC(=O)C2)c1 ZINC001315063535 1070509097 /nfs/dbraw/zinc/50/90/97/1070509097.db2.gz VPGKVILYWMBHQM-CQSZACIVSA-N 0 0 452.537 -0.105 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001315063721 1070508906 /nfs/dbraw/zinc/50/89/06/1070508906.db2.gz GQAYMKPHJNMLNS-FQEVSTJZSA-N 0 0 478.579 -0.224 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001315063722 1070509061 /nfs/dbraw/zinc/50/90/61/1070509061.db2.gz GQAYMKPHJNMLNS-HXUWFJFHSA-N 0 0 478.579 -0.224 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001315063786 1070509106 /nfs/dbraw/zinc/50/91/06/1070509106.db2.gz HYTHDXBGDKVJQW-HNNXBMFYSA-N 0 0 455.585 -0.292 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001315063787 1070508997 /nfs/dbraw/zinc/50/89/97/1070508997.db2.gz HYTHDXBGDKVJQW-OAHLLOKOSA-N 0 0 455.585 -0.292 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@@]2(COC3)C1 ZINC001315064241 1070509237 /nfs/dbraw/zinc/50/92/37/1070509237.db2.gz JASBCEHAOIGZNR-RRQGHBQHSA-N 0 0 462.598 -0.556 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@@]2(COC3)C1 ZINC001315064242 1070509200 /nfs/dbraw/zinc/50/92/00/1070509200.db2.gz JASBCEHAOIGZNR-XYPHTWIQSA-N 0 0 462.598 -0.556 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 ZINC001315064327 1070508940 /nfs/dbraw/zinc/50/89/40/1070508940.db2.gz KBPGVAMSRPDRBN-UHFFFAOYSA-N 0 0 458.495 -0.138 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 ZINC001315064364 1070509169 /nfs/dbraw/zinc/50/91/69/1070509169.db2.gz KNRZHFDMMYVYEE-UHFFFAOYSA-N 0 0 451.557 -0.609 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001315064496 1070509209 /nfs/dbraw/zinc/50/92/09/1070509209.db2.gz VMAXPLCJPZUZDI-UHFFFAOYSA-N 0 0 458.566 -0.416 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)CC2)c1 ZINC001315064630 1070509146 /nfs/dbraw/zinc/50/91/46/1070509146.db2.gz OANDULNDEJHLNU-GOSISDBHSA-N 0 0 477.591 -0.046 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)CC2)c1 ZINC001315064631 1070509030 /nfs/dbraw/zinc/50/90/30/1070509030.db2.gz OANDULNDEJHLNU-SFHVURJKSA-N 0 0 477.591 -0.046 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001315064681 1070509220 /nfs/dbraw/zinc/50/92/20/1070509220.db2.gz INSCWAFEDYRMCD-IYBDPMFKSA-N 0 0 473.577 -0.252 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001315064767 1070509948 /nfs/dbraw/zinc/50/99/48/1070509948.db2.gz MPHKKWIZYXDOBE-IBGZPJMESA-N 0 0 491.618 -0.081 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001315064768 1070509646 /nfs/dbraw/zinc/50/96/46/1070509646.db2.gz MPHKKWIZYXDOBE-LJQANCHMSA-N 0 0 491.618 -0.081 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)c1 ZINC001315065022 1070509182 /nfs/dbraw/zinc/50/91/82/1070509182.db2.gz OVEPTTLUYJBGNM-HNNXBMFYSA-N 0 0 487.629 -0.295 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)c1 ZINC001315065024 1070509014 /nfs/dbraw/zinc/50/90/14/1070509014.db2.gz OVEPTTLUYJBGNM-OAHLLOKOSA-N 0 0 487.629 -0.295 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001315065157 1070509809 /nfs/dbraw/zinc/50/98/09/1070509809.db2.gz OUOOENRRJBCEQD-GOSISDBHSA-N 0 0 454.557 -0.549 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001315065158 1070509745 /nfs/dbraw/zinc/50/97/45/1070509745.db2.gz OUOOENRRJBCEQD-SFHVURJKSA-N 0 0 454.557 -0.549 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001315065228 1070509617 /nfs/dbraw/zinc/50/96/17/1070509617.db2.gz QFWFJKXSLNHDKN-UHFFFAOYSA-N 0 0 451.557 -0.877 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)c1 ZINC001315065360 1070509632 /nfs/dbraw/zinc/50/96/32/1070509632.db2.gz SMGZLCPMGWUWDR-KRWDZBQOSA-N 0 0 496.615 -0.020 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC001315065361 1070509824 /nfs/dbraw/zinc/50/98/24/1070509824.db2.gz SMGZLCPMGWUWDR-QGZVFWFLSA-N 0 0 496.615 -0.020 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001315065745 1070509853 /nfs/dbraw/zinc/50/98/53/1070509853.db2.gz UHDYMGSHBRJIQI-AEFFLSMTSA-N 0 0 496.638 -0.948 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001315065746 1070509969 /nfs/dbraw/zinc/50/99/69/1070509969.db2.gz UHDYMGSHBRJIQI-FUHWJXTLSA-N 0 0 496.638 -0.948 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001315065747 1070509676 /nfs/dbraw/zinc/50/96/76/1070509676.db2.gz UHDYMGSHBRJIQI-SJLPKXTDSA-N 0 0 496.638 -0.948 20 0 JBADRN 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WJNRKUCGNALCAS-QGZVFWFLSA-N 0 0 469.612 -0.534 20 0 JBADRN CNS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001315068205 1070511643 /nfs/dbraw/zinc/51/16/43/1070511643.db2.gz XOHITZWQMIZUBM-HNNXBMFYSA-N 0 0 477.595 -0.332 20 0 JBADRN CNS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001315068206 1070511718 /nfs/dbraw/zinc/51/17/18/1070511718.db2.gz XOHITZWQMIZUBM-OAHLLOKOSA-N 0 0 477.595 -0.332 20 0 JBADRN CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001315068249 1070511738 /nfs/dbraw/zinc/51/17/38/1070511738.db2.gz GWRLTQLUMRPBRY-UHFFFAOYSA-N 0 0 485.561 -0.094 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001315068260 1070512449 /nfs/dbraw/zinc/51/24/49/1070512449.db2.gz HINSMBVUFYYCMA-HNNXBMFYSA-N 0 0 483.620 -0.247 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001315068261 1070512315 /nfs/dbraw/zinc/51/23/15/1070512315.db2.gz HINSMBVUFYYCMA-OAHLLOKOSA-N 0 0 483.620 -0.247 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 ZINC001315068303 1070512410 /nfs/dbraw/zinc/51/24/10/1070512410.db2.gz IFMBSKKQSUVWIL-INIZCTEOSA-N 0 0 494.640 -0.587 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 ZINC001315068304 1070512526 /nfs/dbraw/zinc/51/25/26/1070512526.db2.gz IFMBSKKQSUVWIL-MRXNPFEDSA-N 0 0 494.640 -0.587 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001315068340 1070512269 /nfs/dbraw/zinc/51/22/69/1070512269.db2.gz UEUBFAUVSVPVCY-UHFFFAOYSA-N 0 0 452.537 -0.202 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001315068447 1070512419 /nfs/dbraw/zinc/51/24/19/1070512419.db2.gz JEVMRTMAAQGYRY-CABCVRRESA-N 0 0 476.625 -0.578 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001315068460 1070512284 /nfs/dbraw/zinc/51/22/84/1070512284.db2.gz JEVMRTMAAQGYRY-GJZGRUSLSA-N 0 0 476.625 -0.578 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001315068462 1070512368 /nfs/dbraw/zinc/51/23/68/1070512368.db2.gz JEVMRTMAAQGYRY-HUUCEWRRSA-N 0 0 476.625 -0.578 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001315068464 1070512234 /nfs/dbraw/zinc/51/22/34/1070512234.db2.gz JEVMRTMAAQGYRY-LSDHHAIUSA-N 0 0 476.625 -0.578 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001315068476 1070512345 /nfs/dbraw/zinc/51/23/45/1070512345.db2.gz YPGAJNKLVDCQGV-GFCCVEGCSA-N 0 0 453.491 -0.147 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001315068478 1070512513 /nfs/dbraw/zinc/51/25/13/1070512513.db2.gz YPGAJNKLVDCQGV-LBPRGKRZSA-N 0 0 453.491 -0.147 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001315068554 1070512503 /nfs/dbraw/zinc/51/25/03/1070512503.db2.gz ZGIVGUWLCHFRJT-KRWDZBQOSA-N 0 0 483.639 -0.098 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001315068557 1070512383 /nfs/dbraw/zinc/51/23/83/1070512383.db2.gz ZGIVGUWLCHFRJT-QGZVFWFLSA-N 0 0 483.639 -0.098 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001315068576 1070512396 /nfs/dbraw/zinc/51/23/96/1070512396.db2.gz KNNWVCPCTZIPHG-HNNXBMFYSA-N 0 0 474.609 -0.822 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001315068578 1070512435 /nfs/dbraw/zinc/51/24/35/1070512435.db2.gz KNNWVCPCTZIPHG-OAHLLOKOSA-N 0 0 474.609 -0.822 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001315068600 1070512254 /nfs/dbraw/zinc/51/22/54/1070512254.db2.gz KWWSLYZBXLDEHM-CHWSQXEVSA-N 0 0 486.567 -0.358 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001315068615 1070512475 /nfs/dbraw/zinc/51/24/75/1070512475.db2.gz KWWSLYZBXLDEHM-OLZOCXBDSA-N 0 0 486.567 -0.358 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001315068618 1070512491 /nfs/dbraw/zinc/51/24/91/1070512491.db2.gz KWWSLYZBXLDEHM-QWHCGFSZSA-N 0 0 486.567 -0.358 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001315068621 1070512300 /nfs/dbraw/zinc/51/23/00/1070512300.db2.gz KWWSLYZBXLDEHM-STQMWFEESA-N 0 0 486.567 -0.358 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001315068782 1070512354 /nfs/dbraw/zinc/51/23/54/1070512354.db2.gz ZBOSWOLTBHBLOI-UHFFFAOYSA-N 0 0 488.592 -0.407 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC001315068901 1070513091 /nfs/dbraw/zinc/51/30/91/1070513091.db2.gz NSLCKWLIACJCLS-GDBMZVCRSA-N 0 0 492.624 -0.835 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC001315068902 1070512998 /nfs/dbraw/zinc/51/29/98/1070512998.db2.gz NSLCKWLIACJCLS-GOEBONIOSA-N 0 0 492.624 -0.835 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC001315068903 1070512904 /nfs/dbraw/zinc/51/29/04/1070512904.db2.gz NSLCKWLIACJCLS-HOCLYGCPSA-N 0 0 492.624 -0.835 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC001315068904 1070512865 /nfs/dbraw/zinc/51/28/65/1070512865.db2.gz NSLCKWLIACJCLS-ZBFHGGJFSA-N 0 0 492.624 -0.835 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001315069014 1070512878 /nfs/dbraw/zinc/51/28/78/1070512878.db2.gz MTGIHULLYWMAGC-UHFFFAOYSA-N 0 0 491.574 -0.570 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001315069039 1070513008 /nfs/dbraw/zinc/51/30/08/1070513008.db2.gz PFFFUXABNXGZST-CABCVRRESA-N 0 0 494.640 -0.589 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001315069042 1070512849 /nfs/dbraw/zinc/51/28/49/1070512849.db2.gz PFFFUXABNXGZST-GJZGRUSLSA-N 0 0 494.640 -0.589 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001315069044 1070513017 /nfs/dbraw/zinc/51/30/17/1070513017.db2.gz PFFFUXABNXGZST-HUUCEWRRSA-N 0 0 494.640 -0.589 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001315069047 1070513077 /nfs/dbraw/zinc/51/30/77/1070513077.db2.gz PFFFUXABNXGZST-LSDHHAIUSA-N 0 0 494.640 -0.589 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001315069074 1070512967 /nfs/dbraw/zinc/51/29/67/1070512967.db2.gz PPLNGCWTSZTWKG-DZGCQCFKSA-N 0 0 476.581 -0.049 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 ZINC001315069075 1070513037 /nfs/dbraw/zinc/51/30/37/1070513037.db2.gz PPLNGCWTSZTWKG-HIFRSBDPSA-N 0 0 476.581 -0.049 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 ZINC001315069076 1070512983 /nfs/dbraw/zinc/51/29/83/1070512983.db2.gz PPLNGCWTSZTWKG-UKRRQHHQSA-N 0 0 476.581 -0.049 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001315069077 1070512894 /nfs/dbraw/zinc/51/28/94/1070512894.db2.gz PPLNGCWTSZTWKG-ZFWWWQNUSA-N 0 0 476.581 -0.049 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001315069103 1070512926 /nfs/dbraw/zinc/51/29/26/1070512926.db2.gz QPYJQJZYSANWBU-HNNXBMFYSA-N 0 0 471.609 -0.153 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001315069104 1070512959 /nfs/dbraw/zinc/51/29/59/1070512959.db2.gz QPYJQJZYSANWBU-OAHLLOKOSA-N 0 0 471.609 -0.153 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001315069147 1070513108 /nfs/dbraw/zinc/51/31/08/1070513108.db2.gz RWLKVCPXJBMMRA-INIZCTEOSA-N 0 0 490.652 -0.187 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001315069148 1070512914 /nfs/dbraw/zinc/51/29/14/1070512914.db2.gz RWLKVCPXJBMMRA-MRXNPFEDSA-N 0 0 490.652 -0.187 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001315069176 1070513024 /nfs/dbraw/zinc/51/30/24/1070513024.db2.gz SUELYCQTPHPAKI-CABCVRRESA-N 0 0 465.598 -0.639 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001315069177 1070513507 /nfs/dbraw/zinc/51/35/07/1070513507.db2.gz SUELYCQTPHPAKI-GJZGRUSLSA-N 0 0 465.598 -0.639 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001315069178 1070513560 /nfs/dbraw/zinc/51/35/60/1070513560.db2.gz SUELYCQTPHPAKI-HUUCEWRRSA-N 0 0 465.598 -0.639 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001315069179 1070513455 /nfs/dbraw/zinc/51/34/55/1070513455.db2.gz SUELYCQTPHPAKI-LSDHHAIUSA-N 0 0 465.598 -0.639 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001315069185 1070513583 /nfs/dbraw/zinc/51/35/83/1070513583.db2.gz SXTGMFCHUDSCKF-IHRRRGAJSA-N 0 0 450.587 -0.605 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001315069186 1070513625 /nfs/dbraw/zinc/51/36/25/1070513625.db2.gz SXTGMFCHUDSCKF-MCIONIFRSA-N 0 0 450.587 -0.605 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C ZINC001315069187 1070513477 /nfs/dbraw/zinc/51/34/77/1070513477.db2.gz SXTGMFCHUDSCKF-MJBXVCDLSA-N 0 0 450.587 -0.605 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001315069188 1070513541 /nfs/dbraw/zinc/51/35/41/1070513541.db2.gz SXTGMFCHUDSCKF-RDBSUJKOSA-N 0 0 450.587 -0.605 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 ZINC001315069281 1070513533 /nfs/dbraw/zinc/51/35/33/1070513533.db2.gz UPNQNKIFFQSKCX-AWEZNQCLSA-N 0 0 460.557 -0.028 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 ZINC001315069283 1070513525 /nfs/dbraw/zinc/51/35/25/1070513525.db2.gz UPNQNKIFFQSKCX-CQSZACIVSA-N 0 0 460.557 -0.028 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001315069305 1070513606 /nfs/dbraw/zinc/51/36/06/1070513606.db2.gz VKHBUXAPGKSUCY-AWEZNQCLSA-N 0 0 462.598 -0.824 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001315069306 1070513552 /nfs/dbraw/zinc/51/35/52/1070513552.db2.gz VKHBUXAPGKSUCY-CQSZACIVSA-N 0 0 462.598 -0.824 20 0 JBADRN CNS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001315069361 1070513591 /nfs/dbraw/zinc/51/35/91/1070513591.db2.gz WAYNUWDIXJBUEQ-UHFFFAOYSA-N 0 0 454.528 -0.148 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001315069367 1070513467 /nfs/dbraw/zinc/51/34/67/1070513467.db2.gz NRYXHDVOTKMRKT-UHFFFAOYSA-N 0 0 479.538 -0.439 20 0 JBADRN CNS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001315069376 1070513566 /nfs/dbraw/zinc/51/35/66/1070513566.db2.gz WGPLDCMXADRWKO-UHFFFAOYSA-N 0 0 456.594 -0.192 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 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CNS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001315071644 1070514718 /nfs/dbraw/zinc/51/47/18/1070514718.db2.gz GSCNZINXYMOOEU-UHFFFAOYSA-N 0 0 481.604 -0.019 20 0 JBADRN CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001315071690 1070514730 /nfs/dbraw/zinc/51/47/30/1070514730.db2.gz HFARCCCSOIDICD-GOSISDBHSA-N 0 0 454.578 -0.172 20 0 JBADRN CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001315071691 1070514669 /nfs/dbraw/zinc/51/46/69/1070514669.db2.gz HFARCCCSOIDICD-SFHVURJKSA-N 0 0 454.578 -0.172 20 0 JBADRN CNS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001315071777 1070514887 /nfs/dbraw/zinc/51/48/87/1070514887.db2.gz JEKYNNMXHYZMTN-CZUORRHYSA-N 0 0 471.511 -0.094 20 0 JBADRN CNS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001315071910 1070514676 /nfs/dbraw/zinc/51/46/76/1070514676.db2.gz ABTPHYLHOLYPIP-UHFFFAOYSA-N 0 0 486.620 -0.297 20 0 JBADRN 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OHDCWSIZLHQEMH-HNNXBMFYSA-N 0 0 472.568 -0.148 20 0 JBADRN COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001315116417 1070517637 /nfs/dbraw/zinc/51/76/37/1070517637.db2.gz WHGIRGAJBYFEKR-GJZGRUSLSA-N 0 0 471.584 -0.025 20 0 JBADRN COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001315116418 1070517710 /nfs/dbraw/zinc/51/77/10/1070517710.db2.gz WHGIRGAJBYFEKR-LSDHHAIUSA-N 0 0 471.584 -0.025 20 0 JBADRN COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001315116888 1070518184 /nfs/dbraw/zinc/51/81/84/1070518184.db2.gz BDGLRCSJJAJLQR-QWRGUYRKSA-N 0 0 467.499 -0.454 20 0 JBADRN COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001315116895 1070518060 /nfs/dbraw/zinc/51/80/60/1070518060.db2.gz BDGLRCSJJAJLQR-WDEREUQCSA-N 0 0 467.499 -0.454 20 0 JBADRN COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCOCC2)C[C@@H]1C ZINC001315117399 1070518283 /nfs/dbraw/zinc/51/82/83/1070518283.db2.gz 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COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)ccc1OCCO ZINC001315320019 1070522336 /nfs/dbraw/zinc/52/23/36/1070522336.db2.gz YIBKAQSNCRQSFA-HNNXBMFYSA-N 0 0 465.532 -0.108 20 0 JBADRN COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)ccc1OCCO ZINC001315320020 1070522170 /nfs/dbraw/zinc/52/21/70/1070522170.db2.gz YIBKAQSNCRQSFA-OAHLLOKOSA-N 0 0 465.532 -0.108 20 0 JBADRN COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2CC(=O)N(C)C)c1 ZINC001315352833 1070522038 /nfs/dbraw/zinc/52/20/38/1070522038.db2.gz QQSWDSLYPSEPRS-UHFFFAOYSA-N 0 0 485.545 -0.022 20 0 JBADRN COc1cc(OC)cc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCNC(=O)C(C)C)c1 ZINC001315355982 1070522156 /nfs/dbraw/zinc/52/21/56/1070522156.db2.gz KGSNMQVQVQQXSE-INIZCTEOSA-N 0 0 485.545 -0.119 20 0 JBADRN COc1cc(OC)cc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCNC(=O)C(C)C)c1 ZINC001315355983 1070522252 /nfs/dbraw/zinc/52/22/52/1070522252.db2.gz KGSNMQVQVQQXSE-MRXNPFEDSA-N 0 0 485.545 -0.119 20 0 JBADRN COc1cc(OC)cc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCNS(C)(=O)=O)c1 ZINC001315357181 1070522111 /nfs/dbraw/zinc/52/21/11/1070522111.db2.gz XVUPRRXXTYRZKJ-AWEZNQCLSA-N 0 0 465.536 -0.275 20 0 JBADRN COc1cc(OC)cc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCNS(C)(=O)=O)c1 ZINC001315357182 1070522206 /nfs/dbraw/zinc/52/22/06/1070522206.db2.gz XVUPRRXXTYRZKJ-CQSZACIVSA-N 0 0 465.536 -0.275 20 0 JBADRN COc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2CC(=O)N2CCOCC2)cc1 ZINC001315390495 1070522128 /nfs/dbraw/zinc/52/21/28/1070522128.db2.gz VTNNGSPTDZUBLO-UHFFFAOYSA-N 0 0 452.537 -0.202 20 0 JBADRN COc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001315390762 1070522237 /nfs/dbraw/zinc/52/22/37/1070522237.db2.gz ZXWCTEVSHGAQPC-GOSISDBHSA-N 0 0 458.562 -0.016 20 0 JBADRN COc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001315390763 1070522319 /nfs/dbraw/zinc/52/23/19/1070522319.db2.gz ZXWCTEVSHGAQPC-SFHVURJKSA-N 0 0 458.562 -0.016 20 0 JBADRN COc1ccc(-c2nnc(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)n2CC(=O)NC(C)C)cc1 ZINC001315421435 1070523005 /nfs/dbraw/zinc/52/30/05/1070523005.db2.gz BDXZIGYKKCNIDV-UHFFFAOYSA-N 0 0 499.572 -0.014 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCS(C)(=O)=O)cc1 ZINC001315426071 1070522978 /nfs/dbraw/zinc/52/29/78/1070522978.db2.gz QRSSWRZKMJMLNC-HNNXBMFYSA-N 0 0 462.532 -0.465 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCS(C)(=O)=O)cc1 ZINC001315426074 1070522719 /nfs/dbraw/zinc/52/27/19/1070522719.db2.gz QRSSWRZKMJMLNC-OAHLLOKOSA-N 0 0 462.532 -0.465 20 0 JBADRN COc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001315426391 1070522955 /nfs/dbraw/zinc/52/29/55/1070522955.db2.gz UCAUXHCKRCMLMW-UHFFFAOYSA-N 0 0 472.593 -0.073 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCOCCCO)cc1OC ZINC001315426401 1070522635 /nfs/dbraw/zinc/52/26/35/1070522635.db2.gz UELMZDUVICZGSY-INIZCTEOSA-N 0 0 474.518 -0.492 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCOCCCO)cc1OC ZINC001315426403 1070522930 /nfs/dbraw/zinc/52/29/30/1070522930.db2.gz UELMZDUVICZGSY-MRXNPFEDSA-N 0 0 474.518 -0.492 20 0 JBADRN COc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCNS(C)(=O)=O)c(OC)c1 ZINC001315426887 1070522735 /nfs/dbraw/zinc/52/27/35/1070522735.db2.gz ZAXPYFBEMCUFFA-UHFFFAOYSA-N 0 0 488.592 -0.407 20 0 JBADRN COc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)cc1 ZINC001315466959 1070522592 /nfs/dbraw/zinc/52/25/92/1070522592.db2.gz AKAZIQIVKBSNMZ-KRWDZBQOSA-N 0 0 464.548 -0.202 20 0 JBADRN COc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)cc1 ZINC001315466980 1070522921 /nfs/dbraw/zinc/52/29/21/1070522921.db2.gz AKAZIQIVKBSNMZ-QGZVFWFLSA-N 0 0 464.548 -0.202 20 0 JBADRN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)cn1 ZINC001315482652 1070522615 /nfs/dbraw/zinc/52/26/15/1070522615.db2.gz QRDNKHYQQJDDQZ-UHFFFAOYSA-N 0 0 470.534 -0.205 20 0 JBADRN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c(F)c1 ZINC001315484710 1070522821 /nfs/dbraw/zinc/52/28/21/1070522821.db2.gz ULRZAWHYCKGODK-AWEZNQCLSA-N 0 0 459.482 -0.241 20 0 JBADRN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(F)c1 ZINC001315484711 1070522992 /nfs/dbraw/zinc/52/29/92/1070522992.db2.gz ULRZAWHYCKGODK-CQSZACIVSA-N 0 0 459.482 -0.241 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 ZINC001315487862 1070522834 /nfs/dbraw/zinc/52/28/34/1070522834.db2.gz GCOAPWMWNCDSTF-GXTWGEPZSA-N 0 0 458.566 -0.037 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 ZINC001315487863 1070522944 /nfs/dbraw/zinc/52/29/44/1070522944.db2.gz GCOAPWMWNCDSTF-JSGCOSHPSA-N 0 0 458.566 -0.037 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 ZINC001315487864 1070522968 /nfs/dbraw/zinc/52/29/68/1070522968.db2.gz GCOAPWMWNCDSTF-OCCSQVGLSA-N 0 0 458.566 -0.037 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 ZINC001315487865 1070522797 /nfs/dbraw/zinc/52/27/97/1070522797.db2.gz GCOAPWMWNCDSTF-TZMCWYRMSA-N 0 0 458.566 -0.037 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)cn1 ZINC001315489718 1070522661 /nfs/dbraw/zinc/52/26/61/1070522661.db2.gz ONMXLJFTBQHQTA-GDBMZVCRSA-N 0 0 451.553 -0.139 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)cn1 ZINC001315489719 1070522852 /nfs/dbraw/zinc/52/28/52/1070522852.db2.gz ONMXLJFTBQHQTA-GOEBONIOSA-N 0 0 451.553 -0.139 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)cn1 ZINC001315489720 1070522749 /nfs/dbraw/zinc/52/27/49/1070522749.db2.gz ONMXLJFTBQHQTA-HOCLYGCPSA-N 0 0 451.553 -0.139 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)cn1 ZINC001315489721 1070522887 /nfs/dbraw/zinc/52/28/87/1070522887.db2.gz ONMXLJFTBQHQTA-ZBFHGGJFSA-N 0 0 451.553 -0.139 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC001315490335 1070523412 /nfs/dbraw/zinc/52/34/12/1070523412.db2.gz RQWAPLGDSBACOA-DZGCQCFKSA-N 0 0 477.547 -0.908 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC001315490336 1070523317 /nfs/dbraw/zinc/52/33/17/1070523317.db2.gz RQWAPLGDSBACOA-HIFRSBDPSA-N 0 0 477.547 -0.908 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC001315490337 1070523506 /nfs/dbraw/zinc/52/35/06/1070523506.db2.gz RQWAPLGDSBACOA-UKRRQHHQSA-N 0 0 477.547 -0.908 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC001315490338 1070523450 /nfs/dbraw/zinc/52/34/50/1070523450.db2.gz RQWAPLGDSBACOA-ZFWWWQNUSA-N 0 0 477.547 -0.908 20 0 JBADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCNS(C)(=O)=O)cn1 ZINC001315496471 1070523260 /nfs/dbraw/zinc/52/32/60/1070523260.db2.gz DSLYRFPINUHXDX-AWEZNQCLSA-N 0 0 458.566 -0.383 20 0 JBADRN COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCNS(C)(=O)=O)cn1 ZINC001315496475 1070523465 /nfs/dbraw/zinc/52/34/65/1070523465.db2.gz DSLYRFPINUHXDX-CQSZACIVSA-N 0 0 458.566 -0.383 20 0 JBADRN COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)cc1 ZINC001315498228 1070523572 /nfs/dbraw/zinc/52/35/72/1070523572.db2.gz UGXHJJVVNWYPGB-KRWDZBQOSA-N 0 0 464.548 -0.054 20 0 JBADRN COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)cc1 ZINC001315498229 1070523394 /nfs/dbraw/zinc/52/33/94/1070523394.db2.gz UGXHJJVVNWYPGB-QGZVFWFLSA-N 0 0 464.548 -0.054 20 0 JBADRN COc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)N2CCOCC2)cc1 ZINC001315533851 1070523521 /nfs/dbraw/zinc/52/35/21/1070523521.db2.gz LWYGOADGQYLZDN-UHFFFAOYSA-N 0 0 465.532 -0.041 20 0 JBADRN COc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCN2CCCS2(=O)=O)cc1 ZINC001315535917 1070523559 /nfs/dbraw/zinc/52/35/59/1070523559.db2.gz FAYNALXMQOABPH-UHFFFAOYSA-N 0 0 450.521 -0.163 20 0 JBADRN COc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001315538406 1070523379 /nfs/dbraw/zinc/52/33/79/1070523379.db2.gz TYLWZCZKRXESHL-FQEVSTJZSA-N 0 0 465.532 -0.258 20 0 JBADRN COc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001315538407 1070523481 /nfs/dbraw/zinc/52/34/81/1070523481.db2.gz TYLWZCZKRXESHL-HXUWFJFHSA-N 0 0 465.532 -0.258 20 0 JBADRN COc1ccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)cc1 ZINC001315543471 1070523551 /nfs/dbraw/zinc/52/35/51/1070523551.db2.gz SCKZVOINNPYITD-KRWDZBQOSA-N 0 0 480.547 -0.365 20 0 JBADRN COc1ccc(OCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)cc1 ZINC001315543473 1070523358 /nfs/dbraw/zinc/52/33/58/1070523358.db2.gz SCKZVOINNPYITD-QGZVFWFLSA-N 0 0 480.547 -0.365 20 0 JBADRN COc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)c1 ZINC001315547302 1070523430 /nfs/dbraw/zinc/52/34/30/1070523430.db2.gz WHILQSXOUPHCIQ-UHFFFAOYSA-N 0 0 493.590 -0.064 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)c1 ZINC001315561382 1070523494 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JBADRN CO[C@@H]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O ZINC001315687315 1070524630 /nfs/dbraw/zinc/52/46/30/1070524630.db2.gz FEVMKOPFAFDNRT-ARFHVFGLSA-N 0 0 494.640 -0.589 20 0 JBADRN CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O ZINC001315687316 1070524485 /nfs/dbraw/zinc/52/44/85/1070524485.db2.gz FEVMKOPFAFDNRT-BZUAXINKSA-N 0 0 494.640 -0.589 20 0 JBADRN CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O ZINC001315687317 1070524702 /nfs/dbraw/zinc/52/47/02/1070524702.db2.gz FEVMKOPFAFDNRT-OAGGEKHMSA-N 0 0 494.640 -0.589 20 0 JBADRN CO[C@@H]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O ZINC001315687318 1070524536 /nfs/dbraw/zinc/52/45/36/1070524536.db2.gz FEVMKOPFAFDNRT-XHSDSOJGSA-N 0 0 494.640 -0.589 20 0 JBADRN CO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001315701308 1070524572 /nfs/dbraw/zinc/52/45/72/1070524572.db2.gz JUJPPPHLXAEMML-CABCVRRESA-N 0 0 462.594 -0.265 20 0 JBADRN CO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001315701309 1070524810 /nfs/dbraw/zinc/52/48/10/1070524810.db2.gz JUJPPPHLXAEMML-GJZGRUSLSA-N 0 0 462.594 -0.265 20 0 JBADRN CO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001315701310 1070524750 /nfs/dbraw/zinc/52/47/50/1070524750.db2.gz JUJPPPHLXAEMML-HUUCEWRRSA-N 0 0 462.594 -0.265 20 0 JBADRN CO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001315701311 1070524648 /nfs/dbraw/zinc/52/46/48/1070524648.db2.gz JUJPPPHLXAEMML-LSDHHAIUSA-N 0 0 462.594 -0.265 20 0 JBADRN CO[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCS2(=O)=O)C1 ZINC001315701651 1070524611 /nfs/dbraw/zinc/52/46/11/1070524611.db2.gz LQXBDXFVFRPNMN-CVEARBPZSA-N 0 0 492.624 -0.738 20 0 JBADRN CO[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCS2(=O)=O)C1 ZINC001315701652 1070524521 /nfs/dbraw/zinc/52/45/21/1070524521.db2.gz LQXBDXFVFRPNMN-HOTGVXAUSA-N 0 0 492.624 -0.738 20 0 JBADRN CO[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCS2(=O)=O)C1 ZINC001315701653 1070524682 /nfs/dbraw/zinc/52/46/82/1070524682.db2.gz LQXBDXFVFRPNMN-HZPDHXFCSA-N 0 0 492.624 -0.738 20 0 JBADRN CO[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCS2(=O)=O)C1 ZINC001315701654 1070525248 /nfs/dbraw/zinc/52/52/48/1070525248.db2.gz LQXBDXFVFRPNMN-JKSUJKDBSA-N 0 0 492.624 -0.738 20 0 JBADRN CO[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001315701922 1070525102 /nfs/dbraw/zinc/52/51/02/1070525102.db2.gz MYGQOBFQKOTOCP-CLCXKQKWSA-N 0 0 456.569 -0.296 20 0 JBADRN CO[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001315701923 1070525336 /nfs/dbraw/zinc/52/53/36/1070525336.db2.gz MYGQOBFQKOTOCP-SPYBWZPUSA-N 0 0 456.569 -0.296 20 0 JBADRN CO[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001315701924 1070525298 /nfs/dbraw/zinc/52/52/98/1070525298.db2.gz MYGQOBFQKOTOCP-VCBZYWHSSA-N 0 0 456.569 -0.296 20 0 JBADRN 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CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)CC[C@@H]1C ZINC001315711832 1070525134 /nfs/dbraw/zinc/52/51/34/1070525134.db2.gz DRRFWLSEWOUDHE-BFHYXJOUSA-N 0 0 452.603 -0.359 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)CC[C@H]1C ZINC001315711833 1070525309 /nfs/dbraw/zinc/52/53/09/1070525309.db2.gz DRRFWLSEWOUDHE-HZSPNIEDSA-N 0 0 452.603 -0.359 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)CC[C@@H]1C ZINC001315711834 1070525324 /nfs/dbraw/zinc/52/53/24/1070525324.db2.gz DRRFWLSEWOUDHE-MELADBBJSA-N 0 0 452.603 -0.359 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)CC[C@H]1C ZINC001315711835 1070525076 /nfs/dbraw/zinc/52/50/76/1070525076.db2.gz DRRFWLSEWOUDHE-MGPQQGTHSA-N 0 0 452.603 -0.359 20 0 JBADRN CO[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CC1(C)C ZINC001315725214 1070525286 /nfs/dbraw/zinc/52/52/86/1070525286.db2.gz LHJDAOWVKZMZPX-CVEARBPZSA-N 0 0 486.595 -0.669 20 0 JBADRN 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COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001316214752 1070561540 /nfs/dbraw/zinc/56/15/40/1070561540.db2.gz PYYCJCRQCSWJIO-CABCVRRESA-N 0 0 458.585 -0.002 20 0 JBADRN COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001316214755 1070561568 /nfs/dbraw/zinc/56/15/68/1070561568.db2.gz PYYCJCRQCSWJIO-GJZGRUSLSA-N 0 0 458.585 -0.002 20 0 JBADRN COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001316214759 1070561401 /nfs/dbraw/zinc/56/14/01/1070561401.db2.gz PYYCJCRQCSWJIO-HUUCEWRRSA-N 0 0 458.585 -0.002 20 0 JBADRN COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001316214763 1070561456 /nfs/dbraw/zinc/56/14/56/1070561456.db2.gz PYYCJCRQCSWJIO-LSDHHAIUSA-N 0 0 458.585 -0.002 20 0 JBADRN COCCO[C@@H](C)c1nnc(N2CCS(=O)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001316216841 1070561340 /nfs/dbraw/zinc/56/13/40/1070561340.db2.gz GLKWRDZBAMVYBE-AWEZNQCLSA-N 0 0 450.583 -0.490 20 0 JBADRN 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COCCO[C@H](C)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001316218317 1070561475 /nfs/dbraw/zinc/56/14/75/1070561475.db2.gz WMJMUYDEYFUQAI-CABCVRRESA-N 0 0 472.568 -0.844 20 0 JBADRN COCCO[C@@H](C)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001316218318 1070561418 /nfs/dbraw/zinc/56/14/18/1070561418.db2.gz WMJMUYDEYFUQAI-GJZGRUSLSA-N 0 0 472.568 -0.844 20 0 JBADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001316218319 1070561490 /nfs/dbraw/zinc/56/14/90/1070561490.db2.gz WMJMUYDEYFUQAI-HUUCEWRRSA-N 0 0 472.568 -0.844 20 0 JBADRN COCCO[C@@H](C)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001316218320 1070562138 /nfs/dbraw/zinc/56/21/38/1070562138.db2.gz WMJMUYDEYFUQAI-LSDHHAIUSA-N 0 0 472.568 -0.844 20 0 JBADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC(=O)NC(C)(C)C ZINC001316219329 1070562172 /nfs/dbraw/zinc/56/21/72/1070562172.db2.gz ZWKAIYCDHPXGMF-CABCVRRESA-N 0 0 465.555 -0.546 20 0 JBADRN 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COCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C1 ZINC001316240668 1070561920 /nfs/dbraw/zinc/56/19/20/1070561920.db2.gz JJDOYINDIBOCCG-HUUCEWRRSA-N 0 0 465.598 -0.639 20 0 JBADRN COCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C1 ZINC001316240671 1070561883 /nfs/dbraw/zinc/56/18/83/1070561883.db2.gz JJDOYINDIBOCCG-LSDHHAIUSA-N 0 0 465.598 -0.639 20 0 JBADRN COCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001316241036 1070562073 /nfs/dbraw/zinc/56/20/73/1070562073.db2.gz ZZLFDXBCYAZUTH-JXFKEZNVSA-N 0 0 471.580 -0.418 20 0 JBADRN COCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001316241037 1070562696 /nfs/dbraw/zinc/56/26/96/1070562696.db2.gz ZZLFDXBCYAZUTH-OXJNMPFZSA-N 0 0 471.580 -0.418 20 0 JBADRN COCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001316241038 1070562775 /nfs/dbraw/zinc/56/27/75/1070562775.db2.gz ZZLFDXBCYAZUTH-OXQOHEQNSA-N 0 0 471.580 -0.418 20 0 JBADRN 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JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001316279833 1070564615 /nfs/dbraw/zinc/56/46/15/1070564615.db2.gz KSNOFKUGYAQVIU-OVWQWFNUSA-N 0 0 470.596 -0.050 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001316283812 1070564774 /nfs/dbraw/zinc/56/47/74/1070564774.db2.gz ZZZBHOPTXGQKBC-JYJNAYRXSA-N 0 0 488.636 -0.308 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001316283813 1070564694 /nfs/dbraw/zinc/56/46/94/1070564694.db2.gz ZZZBHOPTXGQKBC-PMPSAXMXSA-N 0 0 488.636 -0.308 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CCNS(C)(=O)=O ZINC001316283965 1070564820 /nfs/dbraw/zinc/56/48/20/1070564820.db2.gz ZRQXTEJNBVLBPR-DRMAHVMPSA-N 0 0 459.569 -0.065 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CCNS(C)(=O)=O ZINC001316283967 1070564490 /nfs/dbraw/zinc/56/44/90/1070564490.db2.gz ZRQXTEJNBVLBPR-FPXQBCRKSA-N 0 0 459.569 -0.065 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JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN1CCCS1(=O)=O ZINC001316287753 1070565248 /nfs/dbraw/zinc/56/52/48/1070565248.db2.gz GIIPCVBRQBJYLM-JYJNAYRXSA-N 0 0 477.609 -0.339 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN1CCCS1(=O)=O ZINC001316287757 1070565140 /nfs/dbraw/zinc/56/51/40/1070565140.db2.gz GIIPCVBRQBJYLM-XHSDSOJGSA-N 0 0 477.609 -0.339 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OCC(N)=O)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001316288343 1070565208 /nfs/dbraw/zinc/56/52/08/1070565208.db2.gz LLCJXCWZEPBXBV-RXVVDRJESA-N 0 0 493.609 -0.363 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCN(C(C)=O)CC2)n1CC(=O)N1CCOCC1 ZINC001316289219 1070565529 /nfs/dbraw/zinc/56/55/29/1070565529.db2.gz LXIXSEZDQOXGLK-HKUYNNGSSA-N 0 0 450.540 -0.081 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001316289626 1070565187 /nfs/dbraw/zinc/56/51/87/1070565187.db2.gz UPINSWYODNIZNZ-ABSDTBQOSA-N 0 0 471.580 -0.390 20 0 JBADRN 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ZINC001316476831 1070585856 /nfs/dbraw/zinc/58/58/56/1070585856.db2.gz RHCJSUMKMJJPRP-CVEARBPZSA-N 0 0 460.626 -0.115 20 0 JBADRN CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001316476832 1070586033 /nfs/dbraw/zinc/58/60/33/1070586033.db2.gz RHCJSUMKMJJPRP-HOTGVXAUSA-N 0 0 460.626 -0.115 20 0 JBADRN CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001316476833 1070586156 /nfs/dbraw/zinc/58/61/56/1070586156.db2.gz RHCJSUMKMJJPRP-HZPDHXFCSA-N 0 0 460.626 -0.115 20 0 JBADRN CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001316476834 1070586197 /nfs/dbraw/zinc/58/61/97/1070586197.db2.gz RHCJSUMKMJJPRP-JKSUJKDBSA-N 0 0 460.626 -0.115 20 0 JBADRN C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCOCC2(C)C)C[C@@H]1O ZINC001316483374 1070585924 /nfs/dbraw/zinc/58/59/24/1070585924.db2.gz BGRLRTWSVOMZQV-FGTMMUONSA-N 0 0 486.639 -0.071 20 0 JBADRN C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCOCC2(C)C)C[C@@H]1O ZINC001316483376 1070586131 /nfs/dbraw/zinc/58/61/31/1070586131.db2.gz BGRLRTWSVOMZQV-SQNIBIBYSA-N 0 0 486.639 -0.071 20 0 JBADRN C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCCCO)C[C@@H]1O ZINC001316484402 1070586091 /nfs/dbraw/zinc/58/60/91/1070586091.db2.gz KVUKYMRMTCATPS-OWCLPIDISA-N 0 0 463.626 -0.066 20 0 JBADRN C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSCCCO)C[C@@H]1O ZINC001316484403 1070586189 /nfs/dbraw/zinc/58/61/89/1070586189.db2.gz KVUKYMRMTCATPS-PMPSAXMXSA-N 0 0 463.626 -0.066 20 0 JBADRN C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)C[C@@H]1O ZINC001316485111 1070586103 /nfs/dbraw/zinc/58/61/03/1070586103.db2.gz RBQUAWHLCZMYIW-OWCLPIDISA-N 0 0 458.585 -0.314 20 0 JBADRN C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)C[C@@H]1O ZINC001316485112 1070586222 /nfs/dbraw/zinc/58/62/22/1070586222.db2.gz RBQUAWHLCZMYIW-PMPSAXMXSA-N 0 0 458.585 -0.314 20 0 JBADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001316485705 1070585827 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1070586625 /nfs/dbraw/zinc/58/66/25/1070586625.db2.gz CBFMBMSCPWNXBV-MLNJSSBLSA-N 0 0 458.610 -0.105 20 0 JBADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2([S@](C)=O)CC2)CCN1S(C)(=O)=O ZINC001316493923 1070586691 /nfs/dbraw/zinc/58/66/91/1070586691.db2.gz CBFMBMSCPWNXBV-MMEWPQADSA-N 0 0 458.610 -0.105 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN2CCCS2(=O)=O)CCN1S(C)(=O)=O ZINC001316495287 1070586483 /nfs/dbraw/zinc/58/64/83/1070586483.db2.gz MSIZTFBAKKONRY-AWEZNQCLSA-N 0 0 472.597 -0.816 20 0 JBADRN C[C@H]1CN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N(C)C)CCN1S(C)(=O)=O ZINC001316495428 1070586766 /nfs/dbraw/zinc/58/67/66/1070586766.db2.gz RHHFSOIYKVUIHF-AWEZNQCLSA-N 0 0 457.582 -0.298 20 0 JBADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)CCN1S(C)(=O)=O ZINC001316495744 1070586639 /nfs/dbraw/zinc/58/66/39/1070586639.db2.gz QEINQYIENKDJRU-INIZCTEOSA-N 0 0 483.595 -0.767 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCN2CCOC2=O)CCN1S(C)(=O)=O ZINC001316496482 1070586656 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CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001360292064 1070735186 /nfs/dbraw/zinc/73/51/86/1070735186.db2.gz JOKBBBYURDUMIU-KRWDZBQOSA-N 0 0 499.638 -0.123 20 0 JBADRN CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001360292065 1070735337 /nfs/dbraw/zinc/73/53/37/1070735337.db2.gz JOKBBBYURDUMIU-QGZVFWFLSA-N 0 0 499.638 -0.123 20 0 JBADRN CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001360292276 1070735439 /nfs/dbraw/zinc/73/54/39/1070735439.db2.gz LOMRYQUFDPVPFR-BZSNNMDCSA-N 0 0 499.638 -0.708 20 0 JBADRN CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001360292279 1070735210 /nfs/dbraw/zinc/73/52/10/1070735210.db2.gz LOMRYQUFDPVPFR-KSZLIROESA-N 0 0 499.638 -0.708 20 0 JBADRN CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001360292281 1070735412 /nfs/dbraw/zinc/73/54/12/1070735412.db2.gz LOMRYQUFDPVPFR-KURKYZTESA-N 0 0 499.638 -0.708 20 0 JBADRN CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001360292283 1070735159 /nfs/dbraw/zinc/73/51/59/1070735159.db2.gz LOMRYQUFDPVPFR-SQNIBIBYSA-N 0 0 499.638 -0.708 20 0 JBADRN CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001360292424 1070735124 /nfs/dbraw/zinc/73/51/24/1070735124.db2.gz MSFXSPLUWQFMKX-MSOLQXFVSA-N 0 0 499.638 -0.563 20 0 JBADRN CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001360292425 1070735350 /nfs/dbraw/zinc/73/53/50/1070735350.db2.gz MSFXSPLUWQFMKX-QZTJIDSGSA-N 0 0 499.638 -0.563 20 0 JBADRN CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001360292426 1070735714 /nfs/dbraw/zinc/73/57/14/1070735714.db2.gz MSFXSPLUWQFMKX-ROUUACIJSA-N 0 0 499.638 -0.563 20 0 JBADRN CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001360292427 1070736033 /nfs/dbraw/zinc/73/60/33/1070736033.db2.gz MSFXSPLUWQFMKX-ZWKOTPCHSA-N 0 0 499.638 -0.563 20 0 JBADRN CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360292580 1070735740 /nfs/dbraw/zinc/73/57/40/1070735740.db2.gz NUIFMQCYGUKVLA-CVEARBPZSA-N 0 0 458.585 -0.003 20 0 JBADRN CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360292581 1070736062 /nfs/dbraw/zinc/73/60/62/1070736062.db2.gz NUIFMQCYGUKVLA-HOTGVXAUSA-N 0 0 458.585 -0.003 20 0 JBADRN CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360292582 1070736098 /nfs/dbraw/zinc/73/60/98/1070736098.db2.gz NUIFMQCYGUKVLA-HZPDHXFCSA-N 0 0 458.585 -0.003 20 0 JBADRN CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360292583 1070735895 /nfs/dbraw/zinc/73/58/95/1070735895.db2.gz NUIFMQCYGUKVLA-JKSUJKDBSA-N 0 0 458.585 -0.003 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc3n2CCC3)CC1 ZINC001360297798 1070736074 /nfs/dbraw/zinc/73/60/74/1070736074.db2.gz BVNGGRVAXGYNHR-UHFFFAOYSA-N 0 0 458.571 -0.351 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001360297856 1070736085 /nfs/dbraw/zinc/73/60/85/1070736085.db2.gz DINBKUIIAKOTNB-KRWDZBQOSA-N 0 0 483.639 -0.112 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001360297857 1070735983 /nfs/dbraw/zinc/73/59/83/1070735983.db2.gz DINBKUIIAKOTNB-QGZVFWFLSA-N 0 0 483.639 -0.112 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCS(C)(=O)=O)CC1 ZINC001360297918 1070735862 /nfs/dbraw/zinc/73/58/62/1070735862.db2.gz GJWBGZOCKWDZRP-UHFFFAOYSA-N 0 0 469.612 -0.405 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001360298083 1070735958 /nfs/dbraw/zinc/73/59/58/1070735958.db2.gz LQCJMVZSYRBPIQ-JOCHJYFZSA-N 0 0 460.583 -0.361 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001360298084 1070735973 /nfs/dbraw/zinc/73/59/73/1070735973.db2.gz LQCJMVZSYRBPIQ-QFIPXVFZSA-N 0 0 460.583 -0.361 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)F)CC1 ZINC001360298300 1070735880 /nfs/dbraw/zinc/73/58/80/1070735880.db2.gz SPULTXDBHWJJQP-UHFFFAOYSA-N 0 0 470.525 -0.458 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCOC2=O)CC1 ZINC001360298373 1070735808 /nfs/dbraw/zinc/73/58/08/1070735808.db2.gz VDIDGAVUJDJTKH-UHFFFAOYSA-N 0 0 464.571 -0.095 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)COCCO2)CC1 ZINC001360298397 1070735785 /nfs/dbraw/zinc/73/57/85/1070735785.db2.gz WDIYREYPZXUMCR-NRFANRHFSA-N 0 0 451.572 -0.132 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)COCCO2)CC1 ZINC001360298398 1070736115 /nfs/dbraw/zinc/73/61/15/1070736115.db2.gz WDIYREYPZXUMCR-OAQYLSRUSA-N 0 0 451.572 -0.132 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001360298694 1070736660 /nfs/dbraw/zinc/73/66/60/1070736660.db2.gz GPDPCQRBNUTREZ-FOIQADDNSA-N 0 0 484.627 -0.987 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001360298695 1070736461 /nfs/dbraw/zinc/73/64/61/1070736461.db2.gz GPDPCQRBNUTREZ-MGPUTAFESA-N 0 0 484.627 -0.987 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001360298696 1070736506 /nfs/dbraw/zinc/73/65/06/1070736506.db2.gz GPDPCQRBNUTREZ-QRWLVFNGSA-N 0 0 484.627 -0.987 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001360298697 1070736707 /nfs/dbraw/zinc/73/67/07/1070736707.db2.gz GPDPCQRBNUTREZ-YWZLYKJASA-N 0 0 484.627 -0.987 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001360298738 1070736656 /nfs/dbraw/zinc/73/66/56/1070736656.db2.gz IKWSOMGRCCEBJR-NRFANRHFSA-N 0 0 477.591 -0.464 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001360298739 1070736413 /nfs/dbraw/zinc/73/64/13/1070736413.db2.gz IKWSOMGRCCEBJR-OAQYLSRUSA-N 0 0 477.591 -0.464 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCOCC2)CC1 ZINC001360298751 1070736607 /nfs/dbraw/zinc/73/66/07/1070736607.db2.gz IWCUMVGPDLWYQF-INIZCTEOSA-N 0 0 471.628 -0.039 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCOCC2)CC1 ZINC001360298752 1070736677 /nfs/dbraw/zinc/73/66/77/1070736677.db2.gz IWCUMVGPDLWYQF-MRXNPFEDSA-N 0 0 471.628 -0.039 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C2CC2)CC1 ZINC001360298984 1070736475 /nfs/dbraw/zinc/73/64/75/1070736475.db2.gz PRTONOVWBWCBMP-FOIQADDNSA-N 0 0 471.628 -0.304 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C2CC2)CC1 ZINC001360298985 1070736626 /nfs/dbraw/zinc/73/66/26/1070736626.db2.gz PRTONOVWBWCBMP-MGPUTAFESA-N 0 0 471.628 -0.304 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C2CC2)CC1 ZINC001360298986 1070736692 /nfs/dbraw/zinc/73/66/92/1070736692.db2.gz PRTONOVWBWCBMP-QRWLVFNGSA-N 0 0 471.628 -0.304 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C2CC2)CC1 ZINC001360298987 1070736558 /nfs/dbraw/zinc/73/65/58/1070736558.db2.gz PRTONOVWBWCBMP-YWZLYKJASA-N 0 0 471.628 -0.304 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001360300827 1070736541 /nfs/dbraw/zinc/73/65/41/1070736541.db2.gz BKGHRIWVJUGGTJ-KRWDZBQOSA-N 0 0 471.628 -0.290 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001360300828 1070736639 /nfs/dbraw/zinc/73/66/39/1070736639.db2.gz BKGHRIWVJUGGTJ-QGZVFWFLSA-N 0 0 471.628 -0.290 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)CC1 ZINC001360300865 1070736523 /nfs/dbraw/zinc/73/65/23/1070736523.db2.gz COAXZRPQSPOKQP-INIZCTEOSA-N 0 0 487.627 -0.972 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)CC1 ZINC001360300866 1070736435 /nfs/dbraw/zinc/73/64/35/1070736435.db2.gz COAXZRPQSPOKQP-MRXNPFEDSA-N 0 0 487.627 -0.972 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N2CCOCC2)CC1 ZINC001360300896 1070736491 /nfs/dbraw/zinc/73/64/91/1070736491.db2.gz DRNQYKYVFUCSLH-GOSISDBHSA-N 0 0 463.583 -0.323 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N2CCOCC2)CC1 ZINC001360300897 1070736577 /nfs/dbraw/zinc/73/65/77/1070736577.db2.gz DRNQYKYVFUCSLH-SFHVURJKSA-N 0 0 463.583 -0.323 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001360300969 1070736725 /nfs/dbraw/zinc/73/67/25/1070736725.db2.gz GVAVJVVPICCRAK-FQEVSTJZSA-N 0 0 465.580 -0.531 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001360300970 1070736741 /nfs/dbraw/zinc/73/67/41/1070736741.db2.gz GVAVJVVPICCRAK-HXUWFJFHSA-N 0 0 465.580 -0.531 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCS2(=O)=O)CC1 ZINC001360301286 1070737359 /nfs/dbraw/zinc/73/73/59/1070737359.db2.gz PVWZEHKZHFCGMJ-UHFFFAOYSA-N 0 0 479.611 -0.639 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2CCCNS(C)(=O)=O)CC1 ZINC001360301383 1070737041 /nfs/dbraw/zinc/73/70/41/1070737041.db2.gz SQWLVYAPSFZGCQ-UHFFFAOYSA-N 0 0 464.596 -0.074 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CC1 ZINC001360301450 1070737235 /nfs/dbraw/zinc/73/72/35/1070737235.db2.gz UHQPTHGKAJRJTI-INIZCTEOSA-N 0 0 454.597 -0.258 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001360301451 1070737297 /nfs/dbraw/zinc/73/72/97/1070737297.db2.gz AVRYEUDSDKWWDL-UHFFFAOYSA-N 0 0 490.634 -0.054 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CC1 ZINC001360301452 1070737256 /nfs/dbraw/zinc/73/72/56/1070737256.db2.gz UHQPTHGKAJRJTI-MRXNPFEDSA-N 0 0 454.597 -0.258 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001360301594 1070737328 /nfs/dbraw/zinc/73/73/28/1070737328.db2.gz CWVLMLVATGZMDW-QGZVFWFLSA-N 0 0 459.555 -0.071 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOC[C@@H]2C)CC1 ZINC001360301620 1070737102 /nfs/dbraw/zinc/73/71/02/1070737102.db2.gz DCXYKDYPVYVLCW-IBGZPJMESA-N 0 0 476.626 -0.232 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOC[C@H]2C)CC1 ZINC001360301623 1070737197 /nfs/dbraw/zinc/73/71/97/1070737197.db2.gz DCXYKDYPVYVLCW-LJQANCHMSA-N 0 0 476.626 -0.232 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)CC1 ZINC001360301715 1070737137 /nfs/dbraw/zinc/73/71/37/1070737137.db2.gz YQKGAIPLTZDIRD-INIZCTEOSA-N 0 0 469.612 -0.695 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)CC1 ZINC001360301720 1070737027 /nfs/dbraw/zinc/73/70/27/1070737027.db2.gz YQKGAIPLTZDIRD-MRXNPFEDSA-N 0 0 469.612 -0.695 20 0 JBADRN CC(C)NC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001360301762 1070737153 /nfs/dbraw/zinc/73/71/53/1070737153.db2.gz YZJWXBNFMVQXQA-KRWDZBQOSA-N 0 0 493.638 -0.393 20 0 JBADRN 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ZINC001360693017 1070753895 /nfs/dbraw/zinc/75/38/95/1070753895.db2.gz DCDGJKITSIWZBF-KGLIPLIRSA-N 0 0 466.630 -0.233 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC(C)(C)O ZINC001360693018 1070754046 /nfs/dbraw/zinc/75/40/46/1070754046.db2.gz DCDGJKITSIWZBF-UONOGXRCSA-N 0 0 466.630 -0.233 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC(C)(C)O ZINC001360693019 1070753985 /nfs/dbraw/zinc/75/39/85/1070753985.db2.gz DCDGJKITSIWZBF-ZIAGYGMSSA-N 0 0 466.630 -0.233 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1Cc1ncn(C)n1 ZINC001360693062 1070754099 /nfs/dbraw/zinc/75/40/99/1070754099.db2.gz DTSSKPKEXDCCRP-CHWSQXEVSA-N 0 0 451.557 -0.440 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1Cc1ncn(C)n1 ZINC001360693063 1070753958 /nfs/dbraw/zinc/75/39/58/1070753958.db2.gz DTSSKPKEXDCCRP-OLZOCXBDSA-N 0 0 451.557 -0.440 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1Cc1ncn(C)n1 ZINC001360693064 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCCO1 ZINC001360708840 1070766859 /nfs/dbraw/zinc/76/68/59/1070766859.db2.gz DPONHNNIQGVHTR-KGLIPLIRSA-N 0 0 450.587 -0.461 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCCO1 ZINC001360708841 1070766721 /nfs/dbraw/zinc/76/67/21/1070766721.db2.gz DPONHNNIQGVHTR-UONOGXRCSA-N 0 0 450.587 -0.461 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCCO1 ZINC001360708842 1070766632 /nfs/dbraw/zinc/76/66/32/1070766632.db2.gz DPONHNNIQGVHTR-ZIAGYGMSSA-N 0 0 450.587 -0.461 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCc1ccn(C)n1 ZINC001360708867 1070766677 /nfs/dbraw/zinc/76/66/77/1070766677.db2.gz FICMAVCPRDAOPF-DZGCQCFKSA-N 0 0 451.557 -0.580 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCc1ccn(C)n1 ZINC001360708868 1070766752 /nfs/dbraw/zinc/76/67/52/1070766752.db2.gz FICMAVCPRDAOPF-HIFRSBDPSA-N 0 0 451.557 -0.580 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCc1ccn(C)n1 ZINC001360708869 1070766658 /nfs/dbraw/zinc/76/66/58/1070766658.db2.gz FICMAVCPRDAOPF-UKRRQHHQSA-N 0 0 451.557 -0.580 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCc1ccn(C)n1 ZINC001360708870 1070767522 /nfs/dbraw/zinc/76/75/22/1070767522.db2.gz FICMAVCPRDAOPF-ZFWWWQNUSA-N 0 0 451.557 -0.580 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CCCN1CCOCC1 ZINC001360708947 1070767246 /nfs/dbraw/zinc/76/72/46/1070767246.db2.gz GRUDMOZPDOJERD-MOPGFXCFSA-N 0 0 485.655 -0.088 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CCCN1CCOCC1 ZINC001360708948 1070767434 /nfs/dbraw/zinc/76/74/34/1070767434.db2.gz GRUDMOZPDOJERD-OALUTQOASA-N 0 0 485.655 -0.088 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CCCN1CCOCC1 ZINC001360708949 1070767202 /nfs/dbraw/zinc/76/72/02/1070767202.db2.gz GRUDMOZPDOJERD-RBUKOAKNSA-N 0 0 485.655 -0.088 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CCCN1CCOCC1 ZINC001360708950 1070767162 /nfs/dbraw/zinc/76/71/62/1070767162.db2.gz GRUDMOZPDOJERD-RTBURBONSA-N 0 0 485.655 -0.088 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@]1(O)CCO[C@H]1C ZINC001360709025 1070767470 /nfs/dbraw/zinc/76/74/70/1070767470.db2.gz HVDQFUFFWQBJRW-DSIZOQBWSA-N 0 0 458.541 -0.541 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001360709026 1070767584 /nfs/dbraw/zinc/76/75/84/1070767584.db2.gz HVDQFUFFWQBJRW-GGNLRSJOSA-N 0 0 458.541 -0.541 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@@]1(O)CCO[C@H]1C ZINC001360709027 1070767360 /nfs/dbraw/zinc/76/73/60/1070767360.db2.gz HVDQFUFFWQBJRW-LUVWLHFXSA-N 0 0 458.541 -0.541 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@]1(O)CCO[C@@H]1C ZINC001360709028 1070767953 /nfs/dbraw/zinc/76/79/53/1070767953.db2.gz HVDQFUFFWQBJRW-RUZGCFLTSA-N 0 0 458.541 -0.541 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001360709047 1070768143 /nfs/dbraw/zinc/76/81/43/1070768143.db2.gz ICFGSQIYGBQUSR-CAOSSQGBSA-N 0 0 478.641 -0.091 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001360709048 1070768086 /nfs/dbraw/zinc/76/80/86/1070768086.db2.gz ICFGSQIYGBQUSR-JONQDZQNSA-N 0 0 478.641 -0.091 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H]1CCC[C@H](O)C1 ZINC001360709049 1070768236 /nfs/dbraw/zinc/76/82/36/1070768236.db2.gz ICFGSQIYGBQUSR-VGWMRTNUSA-N 0 0 478.641 -0.091 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001360709050 1070768166 /nfs/dbraw/zinc/76/81/66/1070768166.db2.gz ICFGSQIYGBQUSR-YHUYYLMFSA-N 0 0 478.641 -0.091 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC1CCCCC1 ZINC001360709063 1070768095 /nfs/dbraw/zinc/76/80/95/1070768095.db2.gz IFNNEEXIQCFPTI-DZGCQCFKSA-N 0 0 453.569 -0.384 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC1CCCCC1 ZINC001360709064 1070768077 /nfs/dbraw/zinc/76/80/77/1070768077.db2.gz IFNNEEXIQCFPTI-HIFRSBDPSA-N 0 0 453.569 -0.384 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC1CCCCC1 ZINC001360709065 1070768267 /nfs/dbraw/zinc/76/82/67/1070768267.db2.gz IFNNEEXIQCFPTI-UKRRQHHQSA-N 0 0 453.569 -0.384 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC1CCCCC1 ZINC001360709066 1070768153 /nfs/dbraw/zinc/76/81/53/1070768153.db2.gz IFNNEEXIQCFPTI-ZFWWWQNUSA-N 0 0 453.569 -0.384 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001360709073 1070767997 /nfs/dbraw/zinc/76/79/97/1070767997.db2.gz IIOHUOTUVKXYDP-NEPJUHHUSA-N 0 0 468.506 -0.404 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001360709074 1070767969 /nfs/dbraw/zinc/76/79/69/1070767969.db2.gz IIOHUOTUVKXYDP-NWDGAFQWSA-N 0 0 468.506 -0.404 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001360709075 1070768133 /nfs/dbraw/zinc/76/81/33/1070768133.db2.gz IIOHUOTUVKXYDP-RYUDHWBXSA-N 0 0 468.506 -0.404 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001360709076 1070768250 /nfs/dbraw/zinc/76/82/50/1070768250.db2.gz IIOHUOTUVKXYDP-VXGBXAGGSA-N 0 0 468.506 -0.404 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ncccc1N(C)C ZINC001360709117 1070767939 /nfs/dbraw/zinc/76/79/39/1070767939.db2.gz JJTWGSDBTPLVBJ-AWEZNQCLSA-N 0 0 486.624 -0.521 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ncccc1N(C)C ZINC001360709118 1070768221 /nfs/dbraw/zinc/76/82/21/1070768221.db2.gz JJTWGSDBTPLVBJ-CQSZACIVSA-N 0 0 486.624 -0.521 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360709147 1070768667 /nfs/dbraw/zinc/76/86/67/1070768667.db2.gz JVGAXAZBKLMVCK-KKUMJFAQSA-N 0 0 455.585 -0.676 20 0 JBADRN 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccc(F)cc1 ZINC001360709285 1070769572 /nfs/dbraw/zinc/76/95/72/1070769572.db2.gz LRBYGTBGUXFDDA-SWLSCSKDSA-N 0 0 465.511 -0.777 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccc(F)cc1 ZINC001360709286 1070769675 /nfs/dbraw/zinc/76/96/75/1070769675.db2.gz LRBYGTBGUXFDDA-WFASDCNBSA-N 0 0 465.511 -0.777 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCc1nccs1 ZINC001360709331 1070769350 /nfs/dbraw/zinc/76/93/50/1070769350.db2.gz MDAXXNMNYZSMHD-GFCCVEGCSA-N 0 0 463.611 -0.331 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCc1nccs1 ZINC001360709332 1070769409 /nfs/dbraw/zinc/76/94/09/1070769409.db2.gz MDAXXNMNYZSMHD-LBPRGKRZSA-N 0 0 463.611 -0.331 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001360709341 1070769396 /nfs/dbraw/zinc/76/93/96/1070769396.db2.gz MGNIJVTWTFTDDE-AWEZNQCLSA-N 0 0 464.552 -0.896 20 0 JBADRN 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COCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC001454456117 1070826706 /nfs/dbraw/zinc/82/67/06/1070826706.db2.gz UTGPPRAQQIQGBN-UKRRQHHQSA-N 0 0 459.546 -0.415 20 0 JBADRN COCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001454456118 1070826224 /nfs/dbraw/zinc/82/62/24/1070826224.db2.gz UTGPPRAQQIQGBN-ZFWWWQNUSA-N 0 0 459.546 -0.415 20 0 JBADRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCO[C@H](CC(N)=O)C2)c1OC ZINC001454462614 1070826455 /nfs/dbraw/zinc/82/64/55/1070826455.db2.gz FOJPGJYIIRGNMD-CYBMUJFWSA-N 0 0 457.505 -0.559 20 0 JBADRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCO[C@@H](CC(N)=O)C2)c1OC ZINC001454462899 1070826396 /nfs/dbraw/zinc/82/63/96/1070826396.db2.gz FOJPGJYIIRGNMD-ZDUSSCGKSA-N 0 0 457.505 -0.559 20 0 JBADRN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC001454467200 1070826361 /nfs/dbraw/zinc/82/63/61/1070826361.db2.gz VHLFUODKHUVDFO-LLVKDONJSA-N 0 0 459.468 -0.240 20 0 JBADRN CS(=O)(=O)NC[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC001454467215 1070826573 /nfs/dbraw/zinc/82/65/73/1070826573.db2.gz VHLFUODKHUVDFO-NSHDSACASA-N 0 0 459.468 -0.240 20 0 JBADRN CN(C)S(=O)(=O)N1CC(NC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC001454479615 1070826540 /nfs/dbraw/zinc/82/65/40/1070826540.db2.gz ZUAIXLXATPCNKM-INIZCTEOSA-N 0 0 450.521 -0.857 20 0 JBADRN CN(C)S(=O)(=O)N1CC(NC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC001454479619 1070826295 /nfs/dbraw/zinc/82/62/95/1070826295.db2.gz ZUAIXLXATPCNKM-MRXNPFEDSA-N 0 0 450.521 -0.857 20 0 JBADRN COC(=O)C[C@H](O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001454524800 1070826483 /nfs/dbraw/zinc/82/64/83/1070826483.db2.gz PPLXHNBXXBHMOJ-INIZCTEOSA-N 0 0 455.533 -0.352 20 0 JBADRN COC(=O)C[C@@H](O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001454524802 1070826426 /nfs/dbraw/zinc/82/64/26/1070826426.db2.gz PPLXHNBXXBHMOJ-MRXNPFEDSA-N 0 0 455.533 -0.352 20 0 JBADRN CC(=O)NCC(=O)N1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001454603778 1070826644 /nfs/dbraw/zinc/82/66/44/1070826644.db2.gz MSEMNLNONANTJV-UHFFFAOYSA-N 0 0 452.533 -0.482 20 0 JBADRN CC(=O)NCC(=O)N1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC001454604480 1070826149 /nfs/dbraw/zinc/82/61/49/1070826149.db2.gz PHXXKGBBXBYSBW-UHFFFAOYSA-N 0 0 452.533 -0.245 20 0 JBADRN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC001454608377 1070826261 /nfs/dbraw/zinc/82/62/61/1070826261.db2.gz KUSGPPVQPLPKKD-GFCCVEGCSA-N 0 0 450.297 -0.189 20 0 JBADRN COC(=O)CCNC(=O)CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC001454608848 1070826328 /nfs/dbraw/zinc/82/63/28/1070826328.db2.gz HVSCHWIPMCYLRY-UHFFFAOYSA-N 0 0 450.311 -0.087 20 0 JBADRN COc1ccc(CCN2C[C@@H](C(=O)N3CCC(NS(N)(=O)=O)CC3)CC2=O)cc1OC ZINC001454610841 1070826607 /nfs/dbraw/zinc/82/66/07/1070826607.db2.gz BOTMWPMVXCVANT-HNNXBMFYSA-N 0 0 454.549 -0.121 20 0 JBADRN COc1ccc(CCN2C[C@H](C(=O)N3CCC(NS(N)(=O)=O)CC3)CC2=O)cc1OC ZINC001454610844 1070826132 /nfs/dbraw/zinc/82/61/32/1070826132.db2.gz BOTMWPMVXCVANT-OAHLLOKOSA-N 0 0 454.549 -0.121 20 0 JBADRN NS(=O)(=O)NC1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC001454612828 1070826672 /nfs/dbraw/zinc/82/66/72/1070826672.db2.gz PQFSFPFWEVYWKE-UHFFFAOYSA-N 0 0 452.580 -0.904 20 0 JBADRN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001454613218 1070827088 /nfs/dbraw/zinc/82/70/88/1070827088.db2.gz STTWQGNWBIGAEG-HNNXBMFYSA-N 0 0 450.608 -0.129 20 0 JBADRN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001454613225 1070827451 /nfs/dbraw/zinc/82/74/51/1070827451.db2.gz STTWQGNWBIGAEG-OAHLLOKOSA-N 0 0 450.608 -0.129 20 0 JBADRN NS(=O)(=O)NC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC001454614145 1070827197 /nfs/dbraw/zinc/82/71/97/1070827197.db2.gz YDENBOPTXGWTFV-UHFFFAOYSA-N 0 0 455.356 -0.489 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001454632149 1070827480 /nfs/dbraw/zinc/82/74/80/1070827480.db2.gz DFIKSRJLJJMYPM-BGYRXZFFSA-N 0 0 451.501 -0.159 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001454632150 1070827391 /nfs/dbraw/zinc/82/73/91/1070827391.db2.gz DFIKSRJLJJMYPM-PMACEKPBSA-N 0 0 451.501 -0.159 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001454632154 1070827246 /nfs/dbraw/zinc/82/72/46/1070827246.db2.gz DFIKSRJLJJMYPM-WOJBJXKFSA-N 0 0 451.501 -0.159 20 0 JBADRN CNS(=O)(=O)CCCNC(=O)c1cc(I)ccc1-n1cnnn1 ZINC001454723488 1070827142 /nfs/dbraw/zinc/82/71/42/1070827142.db2.gz GQABCTMTKLMDAC-UHFFFAOYSA-N 0 0 450.262 -0.064 20 0 JBADRN CNS(=O)(=O)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001454725392 1070827367 /nfs/dbraw/zinc/82/73/67/1070827367.db2.gz OWTCJGHRRQMKFG-HZSPNIEDSA-N 0 0 453.583 -0.288 20 0 JBADRN CNS(=O)(=O)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001454725397 1070826921 /nfs/dbraw/zinc/82/69/21/1070826921.db2.gz OWTCJGHRRQMKFG-MCIONIFRSA-N 0 0 453.583 -0.288 20 0 JBADRN CNS(=O)(=O)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001454725402 1070827052 /nfs/dbraw/zinc/82/70/52/1070827052.db2.gz OWTCJGHRRQMKFG-MGPQQGTHSA-N 0 0 453.583 -0.288 20 0 JBADRN CNS(=O)(=O)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001454725408 1070827019 /nfs/dbraw/zinc/82/70/19/1070827019.db2.gz OWTCJGHRRQMKFG-RDBSUJKOSA-N 0 0 453.583 -0.288 20 0 JBADRN CCn1c(CCC(=O)N2CC[C@@H](O)[C@@H](O)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC001454784377 1070827220 /nfs/dbraw/zinc/82/72/20/1070827220.db2.gz SIBZMILJYHQALS-MOPGFXCFSA-N 0 0 466.560 -0.036 20 0 JBADRN C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NC[C@]2(CO)COCCN2)C1=O ZINC001454788901 1070827274 /nfs/dbraw/zinc/82/72/74/1070827274.db2.gz ZZFLMOOSEQSIMN-MSOLQXFVSA-N 0 0 455.309 -0.317 20 0 JBADRN C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NC[C@@]2(CO)COCCN2)C1=O ZINC001454788907 1070826955 /nfs/dbraw/zinc/82/69/55/1070826955.db2.gz ZZFLMOOSEQSIMN-QZTJIDSGSA-N 0 0 455.309 -0.317 20 0 JBADRN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NC[C@]2(CO)COCCN2)C1=O ZINC001454788913 1070826851 /nfs/dbraw/zinc/82/68/51/1070826851.db2.gz ZZFLMOOSEQSIMN-ROUUACIJSA-N 0 0 455.309 -0.317 20 0 JBADRN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NC[C@@]2(CO)COCCN2)C1=O ZINC001454788923 1070827511 /nfs/dbraw/zinc/82/75/11/1070827511.db2.gz ZZFLMOOSEQSIMN-ZWKOTPCHSA-N 0 0 455.309 -0.317 20 0 JBADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 ZINC001454793354 1070827172 /nfs/dbraw/zinc/82/71/72/1070827172.db2.gz GDVSPVCDTPWYQF-UHFFFAOYSA-N 0 0 451.571 -0.716 20 0 JBADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC001454797090 1070828026 /nfs/dbraw/zinc/82/80/26/1070828026.db2.gz NMTHPYJCSCQIFP-UHFFFAOYSA-N 0 0 458.566 -0.428 20 0 JBADRN C[S@@](=O)C1(C(=O)NC[C@]23COCCN2C(=O)COC3)CCN(C(=O)OC(C)(C)C)CC1 ZINC001454847405 1070828107 /nfs/dbraw/zinc/82/81/07/1070828107.db2.gz CGFJSDGVUGQUAR-FZYZMVIOSA-N 0 0 459.565 -0.121 20 0 JBADRN C[S@](=O)C1(C(=O)NC[C@]23COCCN2C(=O)COC3)CCN(C(=O)OC(C)(C)C)CC1 ZINC001454847419 1070827822 /nfs/dbraw/zinc/82/78/22/1070827822.db2.gz CGFJSDGVUGQUAR-KKIUXKEOSA-N 0 0 459.565 -0.121 20 0 JBADRN C[S@@](=O)C1(C(=O)NC[C@@]23COCCN2C(=O)COC3)CCN(C(=O)OC(C)(C)C)CC1 ZINC001454847440 1070828136 /nfs/dbraw/zinc/82/81/36/1070828136.db2.gz CGFJSDGVUGQUAR-QPHCHLROSA-N 0 0 459.565 -0.121 20 0 JBADRN C[S@](=O)C1(C(=O)NC[C@@]23COCCN2C(=O)COC3)CCN(C(=O)OC(C)(C)C)CC1 ZINC001454847459 1070828001 /nfs/dbraw/zinc/82/80/01/1070828001.db2.gz CGFJSDGVUGQUAR-RQZFFVEVSA-N 0 0 459.565 -0.121 20 0 JBADRN CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001454847625 1070827734 /nfs/dbraw/zinc/82/77/34/1070827734.db2.gz CNWAYDOEFKROPG-PONJGIIJSA-N 0 0 454.568 -0.044 20 0 JBADRN CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001454847661 1070828238 /nfs/dbraw/zinc/82/82/38/1070828238.db2.gz CNWAYDOEFKROPG-VVBPWWLESA-N 0 0 454.568 -0.044 20 0 JBADRN CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001454847668 1070828157 /nfs/dbraw/zinc/82/81/57/1070828157.db2.gz CNWAYDOEFKROPG-WCJKSRRJSA-N 0 0 454.568 -0.044 20 0 JBADRN CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001454847676 1070828084 /nfs/dbraw/zinc/82/80/84/1070828084.db2.gz CNWAYDOEFKROPG-ZMPRRUGASA-N 0 0 454.568 -0.044 20 0 JBADRN O=C(Cn1nc(Br)c(Br)n1)NC[C@]12COCCN1C(=O)COC2 ZINC001454864541 1070827970 /nfs/dbraw/zinc/82/79/70/1070827970.db2.gz WGCPBLLKMWQNHS-GFCCVEGCSA-N 0 0 453.091 -0.453 20 0 JBADRN O=C(Cn1nc(Br)c(Br)n1)NC[C@@]12COCCN1C(=O)COC2 ZINC001454864715 1070827702 /nfs/dbraw/zinc/82/77/02/1070827702.db2.gz WGCPBLLKMWQNHS-LBPRGKRZSA-N 0 0 453.091 -0.453 20 0 JBADRN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1C[C@H](CO)[C@H](CO)C1 ZINC001455000452 1070827939 /nfs/dbraw/zinc/82/79/39/1070827939.db2.gz RAVMJDAXMANOGI-GASCZTMLSA-N 0 0 453.517 -0.172 20 0 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CCN1C(=O)CO[C@H](C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)[C@H]1c1ccnn1C ZINC001458804097 1070836662 /nfs/dbraw/zinc/83/66/62/1070836662.db2.gz BLFUYKWOLWUCBU-IPELMVKDSA-N 0 0 469.564 -0.639 20 0 JBADRN CCN1C(=O)CO[C@H](C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)[C@H]1c1ccnn1C ZINC001458804117 1070836813 /nfs/dbraw/zinc/83/68/13/1070836813.db2.gz BLFUYKWOLWUCBU-LZQZEXGQSA-N 0 0 469.564 -0.639 20 0 JBADRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)N=[S@@](C)(=O)N(C)C)c(=O)c1=O ZINC001458846559 1070836441 /nfs/dbraw/zinc/83/64/41/1070836441.db2.gz PLQGIGYHRLSJCF-GDLZYMKVSA-N 0 0 459.550 -0.466 20 0 JBADRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)N=[S@](C)(=O)N(C)C)c(=O)c1=O ZINC001458846560 1070836691 /nfs/dbraw/zinc/83/66/91/1070836691.db2.gz PLQGIGYHRLSJCF-LJAQVGFWSA-N 0 0 459.550 -0.466 20 0 JBADRN Cc1cc(N2CCC[C@H](N3CCN(C(=O)C[C@]4(C)CCS(=O)(=O)N4)CC3)C2=O)n(C)n1 ZINC001458859719 1070836587 /nfs/dbraw/zinc/83/65/87/1070836587.db2.gz GDCFCQAJUHGFTL-JXFKEZNVSA-N 0 0 452.581 -0.160 20 0 JBADRN Cc1cc(N2CCC[C@H](N3CCN(C(=O)C[C@@]4(C)CCS(=O)(=O)N4)CC3)C2=O)n(C)n1 ZINC001458859739 1070836902 /nfs/dbraw/zinc/83/69/02/1070836902.db2.gz GDCFCQAJUHGFTL-OXJNMPFZSA-N 0 0 452.581 -0.160 20 0 JBADRN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C[C@@]4(C)CCS(=O)(=O)N4)CC3)C2=O)n(C)n1 ZINC001458859742 1070836502 /nfs/dbraw/zinc/83/65/02/1070836502.db2.gz GDCFCQAJUHGFTL-OXQOHEQNSA-N 0 0 452.581 -0.160 20 0 JBADRN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C[C@]4(C)CCS(=O)(=O)N4)CC3)C2=O)n(C)n1 ZINC001458859744 1070836872 /nfs/dbraw/zinc/83/68/72/1070836872.db2.gz GDCFCQAJUHGFTL-UZLBHIALSA-N 0 0 452.581 -0.160 20 0 JBADRN Cc1cc(N2CCC[C@H](N3CCN(C(=O)CCN4CCCS4(=O)=O)CC3)C2=O)n(C)n1 ZINC001458867660 1070836615 /nfs/dbraw/zinc/83/66/15/1070836615.db2.gz VPRULVYRLFKGLD-KRWDZBQOSA-N 0 0 452.581 -0.206 20 0 JBADRN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)CCN4CCCS4(=O)=O)CC3)C2=O)n(C)n1 ZINC001458867661 1070836987 /nfs/dbraw/zinc/83/69/87/1070836987.db2.gz VPRULVYRLFKGLD-QGZVFWFLSA-N 0 0 452.581 -0.206 20 0 JBADRN CS(=O)(=O)Nc1ccc(C(=O)CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)cc1 ZINC001458989679 1070836844 /nfs/dbraw/zinc/83/68/44/1070836844.db2.gz BAPQOUCSZQFNSA-UHFFFAOYSA-N 0 0 452.489 -0.246 20 0 JBADRN CC(=O)c1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=O)n(C)c1=O ZINC001458995542 1070836640 /nfs/dbraw/zinc/83/66/40/1070836640.db2.gz OAZCKUPGLKYQNY-UHFFFAOYSA-N 0 0 452.464 -0.578 20 0 JBADRN Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCOC3)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC001459034046 1070836527 /nfs/dbraw/zinc/83/65/27/1070836527.db2.gz NKLKAISDPHXHRB-IBGZPJMESA-N 0 0 452.489 -0.335 20 0 JBADRN Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCOC3)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC001459034049 1070836715 /nfs/dbraw/zinc/83/67/15/1070836715.db2.gz NKLKAISDPHXHRB-LJQANCHMSA-N 0 0 452.489 -0.335 20 0 JBADRN O=C(CN1C(=O)N[C@@]2(CCOC2)C1=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001459039349 1070837890 /nfs/dbraw/zinc/83/78/90/1070837890.db2.gz VGTTXAYOPOINEV-GOSISDBHSA-N 0 0 458.443 -0.491 20 0 JBADRN O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001459039358 1070837165 /nfs/dbraw/zinc/83/71/65/1070837165.db2.gz VGTTXAYOPOINEV-SFHVURJKSA-N 0 0 458.443 -0.491 20 0 JBADRN CC(C)N(CCCNC(=O)Cn1cnc2ccc(S(C)(=O)=O)cc2c1=O)S(C)(=O)=O ZINC001459042815 1070837268 /nfs/dbraw/zinc/83/72/68/1070837268.db2.gz UKSICKQLSAIDJG-UHFFFAOYSA-N 0 0 458.562 -0.024 20 0 JBADRN CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2[C@@H](C)C(=O)N(C)S2(=O)=O)CC1 ZINC001459049897 1070837355 /nfs/dbraw/zinc/83/73/55/1070837355.db2.gz FHAUBCWYEKBWMJ-HNNXBMFYSA-N 0 0 451.549 -0.261 20 0 JBADRN CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2[C@H](C)C(=O)N(C)S2(=O)=O)CC1 ZINC001459049915 1070837868 /nfs/dbraw/zinc/83/78/68/1070837868.db2.gz FHAUBCWYEKBWMJ-OAHLLOKOSA-N 0 0 451.549 -0.261 20 0 JBADRN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2[C@@H](C)C(=O)N(C)S2(=O)=O)CC1 ZINC001459056088 1070837326 /nfs/dbraw/zinc/83/73/26/1070837326.db2.gz RBSDRRKYXCSAHA-INIZCTEOSA-N 0 0 451.549 -0.207 20 0 JBADRN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2[C@H](C)C(=O)N(C)S2(=O)=O)CC1 ZINC001459056111 1070837206 /nfs/dbraw/zinc/83/72/06/1070837206.db2.gz RBSDRRKYXCSAHA-MRXNPFEDSA-N 0 0 451.549 -0.207 20 0 JBADRN O=C(CN1C(=O)[C@@H]2CSCN2C1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001459057411 1070837803 /nfs/dbraw/zinc/83/78/03/1070837803.db2.gz UUPIFEFHGLCKOO-HNNXBMFYSA-N 0 0 454.530 -0.339 20 0 JBADRN O=C(CN1C(=O)[C@H]2CSCN2C1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001459057412 1070837612 /nfs/dbraw/zinc/83/76/12/1070837612.db2.gz UUPIFEFHGLCKOO-OAHLLOKOSA-N 0 0 454.530 -0.339 20 0 JBADRN CS(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC001459089272 1070837299 /nfs/dbraw/zinc/83/72/99/1070837299.db2.gz BDCYYUBHJQZDIQ-UHFFFAOYSA-N 0 0 457.505 -0.076 20 0 JBADRN CCOC(=O)Cc1cc(Cl)c(=O)n(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001459089862 1070837412 /nfs/dbraw/zinc/83/74/12/1070837412.db2.gz LCFNQINBEPMSPJ-HNNXBMFYSA-N 0 0 459.952 -0.061 20 0 JBADRN CCOC(=O)Cc1cc(Cl)c(=O)n(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001459089876 1070837383 /nfs/dbraw/zinc/83/73/83/1070837383.db2.gz LCFNQINBEPMSPJ-OAHLLOKOSA-N 0 0 459.952 -0.061 20 0 JBADRN CS(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 ZINC001459096687 1070837841 /nfs/dbraw/zinc/83/78/41/1070837841.db2.gz ULZVQWKMYHZUMF-UHFFFAOYSA-N 0 0 457.505 -0.076 20 0 JBADRN COC(=O)c1cc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cn1 ZINC001459206607 1070837136 /nfs/dbraw/zinc/83/71/36/1070837136.db2.gz MUMKMCMWMXQIDK-UHFFFAOYSA-N 0 0 456.427 -0.159 20 0 JBADRN CCCCN(CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001459307434 1070837642 /nfs/dbraw/zinc/83/76/42/1070837642.db2.gz FCGQGXWGWROZKF-UHFFFAOYSA-N 0 0 454.549 -0.122 20 0 JBADRN COCC(=O)NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC001459313937 1070837448 /nfs/dbraw/zinc/83/74/48/1070837448.db2.gz WPAJOTNYUBGWJJ-UHFFFAOYSA-N 0 0 456.540 -0.114 20 0 JBADRN CCCN(CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC001459350688 1070838488 /nfs/dbraw/zinc/83/84/88/1070838488.db2.gz YXKWWIFRAAAAMW-UHFFFAOYSA-N 0 0 456.565 -0.005 20 0 JBADRN Cn1c(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3ccc(F)cc3F)nc2n(C)c1=O ZINC001459366153 1070838745 /nfs/dbraw/zinc/83/87/45/1070838745.db2.gz FWYLAIADLPQGLO-UHFFFAOYSA-N 0 0 453.427 -0.381 20 0 JBADRN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)CCN3CCOCC3)CC2)cc1 ZINC001459436186 1070838930 /nfs/dbraw/zinc/83/89/30/1070838930.db2.gz BMGJBHJGYIYROM-UHFFFAOYSA-N 0 0 452.577 -0.014 20 0 JBADRN COCCCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001459456957 1070839018 /nfs/dbraw/zinc/83/90/18/1070839018.db2.gz MLCYOHRIRMEDKS-CVEARBPZSA-N 0 0 455.581 -0.180 20 0 JBADRN COCCCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001459456965 1070839090 /nfs/dbraw/zinc/83/90/90/1070839090.db2.gz MLCYOHRIRMEDKS-HOTGVXAUSA-N 0 0 455.581 -0.180 20 0 JBADRN COCCCNC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001459456970 1070838297 /nfs/dbraw/zinc/83/82/97/1070838297.db2.gz MLCYOHRIRMEDKS-HZPDHXFCSA-N 0 0 455.581 -0.180 20 0 JBADRN COCCCNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001459456977 1070838246 /nfs/dbraw/zinc/83/82/46/1070838246.db2.gz MLCYOHRIRMEDKS-JKSUJKDBSA-N 0 0 455.581 -0.180 20 0 JBADRN COC(=O)C1(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CCS(=O)(=O)CC1 ZINC001459458883 1070838459 /nfs/dbraw/zinc/83/84/59/1070838459.db2.gz BTSONCTVPIYKNO-UHFFFAOYSA-N 0 0 459.546 -0.281 20 0 JBADRN COC(=O)C1(NC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CCS(=O)(=O)CC1 ZINC001459459363 1070838810 /nfs/dbraw/zinc/83/88/10/1070838810.db2.gz HUXSZQHCEGCUPB-UHFFFAOYSA-N 0 0 451.501 -0.438 20 0 JBADRN COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC001459459789 1070838271 /nfs/dbraw/zinc/83/82/71/1070838271.db2.gz BQSIPGSBVVJLOM-UHFFFAOYSA-N 0 0 459.503 -0.615 20 0 JBADRN CN(CCNS(C)(=O)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001459462025 1070839056 /nfs/dbraw/zinc/83/90/56/1070839056.db2.gz AMHNLDRUASWGOT-UHFFFAOYSA-N 0 0 452.986 -0.346 20 0 JBADRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CC[C@@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494871 1070838325 /nfs/dbraw/zinc/83/83/25/1070838325.db2.gz VUJCNWAPEMRRSV-DLBZAZTESA-N 0 0 458.606 -0.160 20 0 JBADRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CC[C@@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494878 1070838085 /nfs/dbraw/zinc/83/80/85/1070838085.db2.gz VUJCNWAPEMRRSV-IAGOWNOFSA-N 0 0 458.606 -0.160 20 0 JBADRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CC[C@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494892 1070838170 /nfs/dbraw/zinc/83/81/70/1070838170.db2.gz VUJCNWAPEMRRSV-IRXDYDNUSA-N 0 0 458.606 -0.160 20 0 JBADRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CC[C@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494899 1070838864 /nfs/dbraw/zinc/83/88/64/1070838864.db2.gz VUJCNWAPEMRRSV-SJORKVTESA-N 0 0 458.606 -0.160 20 0 JBADRN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCCS(=O)(=O)CC3)CC2)c1 ZINC001459538031 1070838840 /nfs/dbraw/zinc/83/88/40/1070838840.db2.gz 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Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)cs1 ZINC001492690463 1070780879 /nfs/dbraw/zinc/78/08/79/1070780879.db2.gz MNMNISFVPYYHNS-DZGCQCFKSA-N 0 0 469.593 -0.070 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)cs1 ZINC001492690468 1070780965 /nfs/dbraw/zinc/78/09/65/1070780965.db2.gz MNMNISFVPYYHNS-HIFRSBDPSA-N 0 0 469.593 -0.070 20 0 JBADRN Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)cs1 ZINC001492690469 1070780838 /nfs/dbraw/zinc/78/08/38/1070780838.db2.gz MNMNISFVPYYHNS-UKRRQHHQSA-N 0 0 469.593 -0.070 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)cs1 ZINC001492690472 1070780898 /nfs/dbraw/zinc/78/08/98/1070780898.db2.gz MNMNISFVPYYHNS-ZFWWWQNUSA-N 0 0 469.593 -0.070 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCCO2)n[nH]1 ZINC001492690991 1070780691 /nfs/dbraw/zinc/78/06/91/1070780691.db2.gz UULMPXCIHDMXHM-CABCVRRESA-N 0 0 454.557 -0.105 20 0 JBADRN Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCCO2)n[nH]1 ZINC001492690992 1070780773 /nfs/dbraw/zinc/78/07/73/1070780773.db2.gz UULMPXCIHDMXHM-HUUCEWRRSA-N 0 0 454.557 -0.105 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C3CC3)CC2)cn1C ZINC001492693407 1070780795 /nfs/dbraw/zinc/78/07/95/1070780795.db2.gz DQVLFUSBWQRIOA-GFCCVEGCSA-N 0 0 472.597 -0.224 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C3CC3)CC2)cn1C ZINC001492693409 1070780760 /nfs/dbraw/zinc/78/07/60/1070780760.db2.gz DQVLFUSBWQRIOA-LBPRGKRZSA-N 0 0 472.597 -0.224 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc([C@H]4CCCOC4)n3CC(=O)N(C)C)CC2)cn1C ZINC001492693646 1070780823 /nfs/dbraw/zinc/78/08/23/1070780823.db2.gz LNPGHUMOLIFKEE-INIZCTEOSA-N 0 0 480.595 -0.187 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc([C@@H]4CCCOC4)n3CC(=O)N(C)C)CC2)cn1C ZINC001492693647 1070781000 /nfs/dbraw/zinc/78/10/00/1070781000.db2.gz LNPGHUMOLIFKEE-MRXNPFEDSA-N 0 0 480.595 -0.187 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(C(C)C)n3CCS(=O)(=O)N(C)C)CC2)cn1C ZINC001492693658 1070780888 /nfs/dbraw/zinc/78/08/88/1070780888.db2.gz MCMFSZNIUTWCIW-UHFFFAOYSA-N 0 0 488.640 -0.154 20 0 JBADRN Cc1nc(CN2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)CC2)cs1 ZINC001492693671 1070780936 /nfs/dbraw/zinc/78/09/36/1070780936.db2.gz MPSFZRRPTVBQCU-HNNXBMFYSA-N 0 0 468.609 -0.134 20 0 JBADRN Cc1nc(CN2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)CC2)cs1 ZINC001492693672 1070780975 /nfs/dbraw/zinc/78/09/75/1070780975.db2.gz MPSFZRRPTVBQCU-OAHLLOKOSA-N 0 0 468.609 -0.134 20 0 JBADRN Cc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CCC(=O)N1CCOCC1 ZINC001492693674 1070780804 /nfs/dbraw/zinc/78/08/04/1070780804.db2.gz MTRDOOURHWPELT-UHFFFAOYSA-N 0 0 466.568 -0.612 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(C4CC4)n3CCNS(C)(=O)=O)CC2)cs1 ZINC001492693729 1070780953 /nfs/dbraw/zinc/78/09/53/1070780953.db2.gz PBMNQPQCCDOLDC-UHFFFAOYSA-N 0 0 475.622 -0.019 20 0 JBADRN Cc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CCN1CCOC[C@@H]1C ZINC001492693885 1070780727 /nfs/dbraw/zinc/78/07/27/1070780727.db2.gz VYOUBUCBXXHBKP-HNNXBMFYSA-N 0 0 452.585 -0.140 20 0 JBADRN Cc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CCN1CCOC[C@H]1C ZINC001492693886 1070780848 /nfs/dbraw/zinc/78/08/48/1070780848.db2.gz VYOUBUCBXXHBKP-OAHLLOKOSA-N 0 0 452.585 -0.140 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(C(C)(C)C)n3CC(=O)N3CCOCC3)CC2)cn1C ZINC001492693921 1070780987 /nfs/dbraw/zinc/78/09/87/1070780987.db2.gz XKOLTVPBLODNOB-UHFFFAOYSA-N 0 0 494.622 -0.013 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(CN4CCCC4=O)n3CC(=O)N(C)C)CC2)cs1 ZINC001492695139 1070780812 /nfs/dbraw/zinc/78/08/12/1070780812.db2.gz POEJMZKOCWHGFE-UHFFFAOYSA-N 0 0 496.619 -0.235 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(CC4CC4)n3CCNS(C)(=O)=O)CC2)cn1C ZINC001492695366 1070781502 /nfs/dbraw/zinc/78/15/02/1070781502.db2.gz YKFWOXYMTAIGNR-UHFFFAOYSA-N 0 0 486.624 -0.667 20 0 JBADRN Cc1ncc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CCNS(C)(=O)=O)s1 ZINC001492699819 1070781622 /nfs/dbraw/zinc/78/16/22/1070781622.db2.gz VFZXRSOHGAKDQG-JTQLQIEISA-N 0 0 451.600 -0.313 20 0 JBADRN Cc1ncc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CCNS(C)(=O)=O)s1 ZINC001492699820 1070781431 /nfs/dbraw/zinc/78/14/31/1070781431.db2.gz VFZXRSOHGAKDQG-SNVBAGLBSA-N 0 0 451.600 -0.313 20 0 JBADRN Cc1ncc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)s1 ZINC001492700568 1070781420 /nfs/dbraw/zinc/78/14/20/1070781420.db2.gz FEWJRAJZIYFVMN-GXTWGEPZSA-N 0 0 455.566 -0.264 20 0 JBADRN Cc1ncc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)s1 ZINC001492700569 1070781588 /nfs/dbraw/zinc/78/15/88/1070781588.db2.gz FEWJRAJZIYFVMN-JSGCOSHPSA-N 0 0 455.566 -0.264 20 0 JBADRN Cc1ncc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)s1 ZINC001492700570 1070781551 /nfs/dbraw/zinc/78/15/51/1070781551.db2.gz FEWJRAJZIYFVMN-OCCSQVGLSA-N 0 0 455.566 -0.264 20 0 JBADRN Cc1ncc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)s1 ZINC001492700571 1070781450 /nfs/dbraw/zinc/78/14/50/1070781450.db2.gz FEWJRAJZIYFVMN-TZMCWYRMSA-N 0 0 455.566 -0.264 20 0 JBADRN Cc1nccc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@]3(C)CN(C)C3=O)CC2)n1 ZINC001492703108 1070781599 /nfs/dbraw/zinc/78/15/99/1070781599.db2.gz CWSFISYFOXNMDR-JLTOFOAXSA-N 0 0 477.595 -0.208 20 0 JBADRN Cc1nccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@]3(C)CN(C)C3=O)CC2)n1 ZINC001492703109 1070781406 /nfs/dbraw/zinc/78/14/06/1070781406.db2.gz CWSFISYFOXNMDR-VBKZILBWSA-N 0 0 477.595 -0.208 20 0 JBADRN Cc1nccc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(C)CN(C)C3=O)CC2)n1 ZINC001492703110 1070781438 /nfs/dbraw/zinc/78/14/38/1070781438.db2.gz CWSFISYFOXNMDR-VLIAUNLRSA-N 0 0 477.595 -0.208 20 0 JBADRN Cc1nccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@]3(C)CN(C)C3=O)CC2)n1 ZINC001492703111 1070781558 /nfs/dbraw/zinc/78/15/58/1070781558.db2.gz CWSFISYFOXNMDR-XOBRGWDASA-N 0 0 477.595 -0.208 20 0 JBADRN Cc1nccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)CC2)n1 ZINC001492703160 1070781473 /nfs/dbraw/zinc/78/14/73/1070781473.db2.gz GAFHUIJCHRJDRO-DZGCQCFKSA-N 0 0 463.568 -0.408 20 0 JBADRN Cc1nccc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)CC2)n1 ZINC001492703161 1070781532 /nfs/dbraw/zinc/78/15/32/1070781532.db2.gz GAFHUIJCHRJDRO-UKRRQHHQSA-N 0 0 463.568 -0.408 20 0 JBADRN Cc1nccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)CC2)n1 ZINC001492703163 1070781391 /nfs/dbraw/zinc/78/13/91/1070781391.db2.gz GDJYCEAZULKTLU-AWEZNQCLSA-N 0 0 477.595 -0.160 20 0 JBADRN Cc1nccc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)CC2)n1 ZINC001492703164 1070781358 /nfs/dbraw/zinc/78/13/58/1070781358.db2.gz GDJYCEAZULKTLU-CQSZACIVSA-N 0 0 477.595 -0.160 20 0 JBADRN Cc1nccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)NC(C)C)CC2)n1 ZINC001492703225 1070781373 /nfs/dbraw/zinc/78/13/73/1070781373.db2.gz IHXOOJXSAXKQPF-INIZCTEOSA-N 0 0 477.595 -0.018 20 0 JBADRN Cc1nccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCS(=O)(=O)NC(C)C)CC2)n1 ZINC001492703226 1070781459 /nfs/dbraw/zinc/78/14/59/1070781459.db2.gz IHXOOJXSAXKQPF-MRXNPFEDSA-N 0 0 477.595 -0.018 20 0 JBADRN Cc1nccn1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001492707842 1070781335 /nfs/dbraw/zinc/78/13/35/1070781335.db2.gz IXGCUBJHWGSDRQ-KRWDZBQOSA-N 0 0 471.566 -0.002 20 0 JBADRN Cc1nccn1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001492707843 1070781488 /nfs/dbraw/zinc/78/14/88/1070781488.db2.gz IXGCUBJHWGSDRQ-QGZVFWFLSA-N 0 0 471.566 -0.002 20 0 JBADRN Cc1nccn1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001492708283 1070781511 /nfs/dbraw/zinc/78/15/11/1070781511.db2.gz VQUDTKCHQMNQTF-HNNXBMFYSA-N 0 0 452.541 -0.858 20 0 JBADRN Cc1nccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001492708284 1070781975 /nfs/dbraw/zinc/78/19/75/1070781975.db2.gz VQUDTKCHQMNQTF-OAHLLOKOSA-N 0 0 452.541 -0.858 20 0 JBADRN Cc1nccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001492710736 1070782050 /nfs/dbraw/zinc/78/20/50/1070782050.db2.gz AEATXUZKSKCDPF-INIZCTEOSA-N 0 0 451.553 -0.320 20 0 JBADRN Cc1nccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001492710737 1070782240 /nfs/dbraw/zinc/78/22/40/1070782240.db2.gz AEATXUZKSKCDPF-MRXNPFEDSA-N 0 0 451.553 -0.320 20 0 JBADRN Cc1nccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001492711516 1070782118 /nfs/dbraw/zinc/78/21/18/1070782118.db2.gz WWDCQKFERPEZNA-HNNXBMFYSA-N 0 0 451.553 -0.144 20 0 JBADRN Cc1nccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001492711517 1070782015 /nfs/dbraw/zinc/78/20/15/1070782015.db2.gz WWDCQKFERPEZNA-OAHLLOKOSA-N 0 0 451.553 -0.144 20 0 JBADRN Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001492712503 1070782002 /nfs/dbraw/zinc/78/20/02/1070782002.db2.gz FYTXGMRZSCORGK-CABCVRRESA-N 0 0 463.568 -0.215 20 0 JBADRN Cc1nccnc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001492712504 1070781962 /nfs/dbraw/zinc/78/19/62/1070781962.db2.gz FYTXGMRZSCORGK-GJZGRUSLSA-N 0 0 463.568 -0.215 20 0 JBADRN Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001492712505 1070782207 /nfs/dbraw/zinc/78/22/07/1070782207.db2.gz FYTXGMRZSCORGK-HUUCEWRRSA-N 0 0 463.568 -0.215 20 0 JBADRN Cc1nccnc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001492712506 1070782275 /nfs/dbraw/zinc/78/22/75/1070782275.db2.gz FYTXGMRZSCORGK-LSDHHAIUSA-N 0 0 463.568 -0.215 20 0 JBADRN Cc1nccnc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001492714155 1070782176 /nfs/dbraw/zinc/78/21/76/1070782176.db2.gz FCLRIMNISVDNHP-KRWDZBQOSA-N 0 0 476.607 -0.268 20 0 JBADRN Cc1nccnc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001492714156 1070782217 /nfs/dbraw/zinc/78/22/17/1070782217.db2.gz FCLRIMNISVDNHP-QGZVFWFLSA-N 0 0 476.607 -0.268 20 0 JBADRN Cc1nccnc1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001492715308 1070782076 /nfs/dbraw/zinc/78/20/76/1070782076.db2.gz UJHGWSLLDFYKIT-KRWDZBQOSA-N 0 0 469.550 -0.256 20 0 JBADRN Cc1nccnc1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001492715309 1070782230 /nfs/dbraw/zinc/78/22/30/1070782230.db2.gz UJHGWSLLDFYKIT-QGZVFWFLSA-N 0 0 469.550 -0.256 20 0 JBADRN Cc1nccnc1N1CCN(c2nnc(CN3CCCC3=O)n2CCCNS(C)(=O)=O)CC1 ZINC001492716664 1070782092 /nfs/dbraw/zinc/78/20/92/1070782092.db2.gz SKGGEGYLWJHNIM-UHFFFAOYSA-N 0 0 477.595 -0.235 20 0 JBADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)N(C)C ZINC001492717060 1070782195 /nfs/dbraw/zinc/78/21/95/1070782195.db2.gz ICDOQZPQEAUXTJ-CYBMUJFWSA-N 0 0 476.629 -0.234 20 0 JBADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)N(C)C ZINC001492717061 1070781939 /nfs/dbraw/zinc/78/19/39/1070781939.db2.gz ICDOQZPQEAUXTJ-ZDUSSCGKSA-N 0 0 476.629 -0.234 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C ZINC001492722182 1070782105 /nfs/dbraw/zinc/78/21/05/1070782105.db2.gz UXFHKHXWGXBOFM-KRWDZBQOSA-N 0 0 482.611 -0.030 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C ZINC001492722183 1070782035 /nfs/dbraw/zinc/78/20/35/1070782035.db2.gz UXFHKHXWGXBOFM-QGZVFWFLSA-N 0 0 482.611 -0.030 20 0 JBADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N2CCOCC2)CC1 ZINC001492723349 1070782144 /nfs/dbraw/zinc/78/21/44/1070782144.db2.gz KUMRADYNHRBDSO-UHFFFAOYSA-N 0 0 487.609 -0.052 20 0 JBADRN Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)n(C)n1 ZINC001492724088 1070782260 /nfs/dbraw/zinc/78/22/60/1070782260.db2.gz LBMMEMHTVXJBLT-UHFFFAOYSA-N 0 0 471.566 -0.222 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(CCS(C)(=O)=O)C2CC2)n(C)n1 ZINC001492724295 1070782642 /nfs/dbraw/zinc/78/26/42/1070782642.db2.gz QHVADPDJCCHEAM-CYBMUJFWSA-N 0 0 459.598 -0.008 20 0 JBADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(CCS(C)(=O)=O)C2CC2)n(C)n1 ZINC001492724297 1070782594 /nfs/dbraw/zinc/78/25/94/1070782594.db2.gz QHVADPDJCCHEAM-ZDUSSCGKSA-N 0 0 459.598 -0.008 20 0 JBADRN Cc1cc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)n(C)n1 ZINC001492726298 1070782632 /nfs/dbraw/zinc/78/26/32/1070782632.db2.gz JFZHQUNVSXTNLB-UHFFFAOYSA-N 0 0 454.539 -0.058 20 0 JBADRN Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)C[C@H]2C)n(C)n1 ZINC001492726724 1070782476 /nfs/dbraw/zinc/78/24/76/1070782476.db2.gz VXKKEYODDKVBMV-GDBMZVCRSA-N 0 0 466.568 -0.632 20 0 JBADRN Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)C[C@@H]2C)n(C)n1 ZINC001492726725 1070782652 /nfs/dbraw/zinc/78/26/52/1070782652.db2.gz VXKKEYODDKVBMV-GOEBONIOSA-N 0 0 466.568 -0.632 20 0 JBADRN Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)C[C@@H]2C)n(C)n1 ZINC001492726726 1070782715 /nfs/dbraw/zinc/78/27/15/1070782715.db2.gz VXKKEYODDKVBMV-HOCLYGCPSA-N 0 0 466.568 -0.632 20 0 JBADRN Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)C[C@H]2C)n(C)n1 ZINC001492726727 1070782545 /nfs/dbraw/zinc/78/25/45/1070782545.db2.gz VXKKEYODDKVBMV-ZBFHGGJFSA-N 0 0 466.568 -0.632 20 0 JBADRN Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@H]2C)n(C)n1 ZINC001492726801 1070782675 /nfs/dbraw/zinc/78/26/75/1070782675.db2.gz XRBCSHVFQRQNDF-GDBMZVCRSA-N 0 0 466.568 -0.632 20 0 JBADRN Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@@H]2C)n(C)n1 ZINC001492726802 1070782695 /nfs/dbraw/zinc/78/26/95/1070782695.db2.gz XRBCSHVFQRQNDF-GOEBONIOSA-N 0 0 466.568 -0.632 20 0 JBADRN Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@@H]2C)n(C)n1 ZINC001492726803 1070782532 /nfs/dbraw/zinc/78/25/32/1070782532.db2.gz XRBCSHVFQRQNDF-HOCLYGCPSA-N 0 0 466.568 -0.632 20 0 JBADRN Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@H]2C)n(C)n1 ZINC001492726804 1070782609 /nfs/dbraw/zinc/78/26/09/1070782609.db2.gz XRBCSHVFQRQNDF-ZBFHGGJFSA-N 0 0 466.568 -0.632 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CCNS(C)(=O)=O)n1 ZINC001492732205 1070782705 /nfs/dbraw/zinc/78/27/05/1070782705.db2.gz LBSONIWQCQBETL-CABCVRRESA-N 0 0 461.614 -0.053 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCNS(C)(=O)=O)n1 ZINC001492732206 1070782662 /nfs/dbraw/zinc/78/26/62/1070782662.db2.gz LBSONIWQCQBETL-GJZGRUSLSA-N 0 0 461.614 -0.053 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CCNS(C)(=O)=O)n1 ZINC001492732207 1070782495 /nfs/dbraw/zinc/78/24/95/1070782495.db2.gz LBSONIWQCQBETL-HUUCEWRRSA-N 0 0 461.614 -0.053 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CCNS(C)(=O)=O)n1 ZINC001492732208 1070782686 /nfs/dbraw/zinc/78/26/86/1070782686.db2.gz LBSONIWQCQBETL-LSDHHAIUSA-N 0 0 461.614 -0.053 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001492734595 1070782560 /nfs/dbraw/zinc/78/25/60/1070782560.db2.gz SHWRABOQWXCSNM-GOSISDBHSA-N 0 0 494.622 -0.284 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001492734596 1070783207 /nfs/dbraw/zinc/78/32/07/1070783207.db2.gz SHWRABOQWXCSNM-SFHVURJKSA-N 0 0 494.622 -0.284 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CCNS(C)(=O)=O)n2CC2(N3CCOCC3)CC2)n1 ZINC001492739394 1070783229 /nfs/dbraw/zinc/78/32/29/1070783229.db2.gz HOKRGEHORVOWKY-UHFFFAOYSA-N 0 0 466.612 -0.010 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CCN3CCOCC3)n2CCS(=O)(=O)N(C)C)n1 ZINC001492739660 1070783113 /nfs/dbraw/zinc/78/31/13/1070783113.db2.gz QCORMODUWOESET-UHFFFAOYSA-N 0 0 454.601 -0.200 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CCNS(C)(=O)=O)n2CC2CCS(=O)(=O)CC2)n1 ZINC001492739713 1070783194 /nfs/dbraw/zinc/78/31/94/1070783194.db2.gz RUSQCLMHEXKNFY-UHFFFAOYSA-N 0 0 473.625 -0.050 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CCNS(C)(=O)=O)n2CC(=O)NCC(F)(F)F)n1 ZINC001492739791 1070783296 /nfs/dbraw/zinc/78/32/96/1070783296.db2.gz VUIPXVADNBKXNS-UHFFFAOYSA-N 0 0 466.490 -0.196 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CCS(C)(=O)=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001492740096 1070783323 /nfs/dbraw/zinc/78/33/23/1070783323.db2.gz IMXMQPKBXBRJLF-INIZCTEOSA-N 0 0 473.625 -0.098 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001492740097 1070783216 /nfs/dbraw/zinc/78/32/16/1070783216.db2.gz IMXMQPKBXBRJLF-MRXNPFEDSA-N 0 0 473.625 -0.098 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC2(O)CCS(=O)(=O)CC2)n1 ZINC001492741148 1070783069 /nfs/dbraw/zinc/78/30/69/1070783069.db2.gz UAAVBGZWZQKJFF-INIZCTEOSA-N 0 0 465.580 -0.254 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC2(O)CCS(=O)(=O)CC2)n1 ZINC001492741149 1070783264 /nfs/dbraw/zinc/78/32/64/1070783264.db2.gz UAAVBGZWZQKJFF-MRXNPFEDSA-N 0 0 465.580 -0.254 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2CCNS(C)(=O)=O)n1 ZINC001492744094 1070783160 /nfs/dbraw/zinc/78/31/60/1070783160.db2.gz GSXKOVQNCQIWNU-FQEVSTJZSA-N 0 0 466.612 -0.010 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2CCNS(C)(=O)=O)n1 ZINC001492744095 1070783333 /nfs/dbraw/zinc/78/33/33/1070783333.db2.gz GSXKOVQNCQIWNU-HXUWFJFHSA-N 0 0 466.612 -0.010 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CCS(C)(=O)=O)n1 ZINC001492746362 1070783250 /nfs/dbraw/zinc/78/32/50/1070783250.db2.gz QACNROAJFGUSQV-UHFFFAOYSA-N 0 0 473.625 -0.050 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCC4(CC3)NC(=O)N(C)C4=O)n2CCS(C)(=O)=O)n1 ZINC001492747935 1070783144 /nfs/dbraw/zinc/78/31/44/1070783144.db2.gz QXTOGNXKNRWSHR-UHFFFAOYSA-N 0 0 464.552 -0.295 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CC(=O)NC(C)C)n1 ZINC001492751747 1070783009 /nfs/dbraw/zinc/78/30/09/1070783009.db2.gz NEEFGZDOQIOBAJ-UHFFFAOYSA-N 0 0 473.582 -0.162 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@H]2CC[C@H](CO)O2)n1 ZINC001492752061 1070783313 /nfs/dbraw/zinc/78/33/13/1070783313.db2.gz ZPYVBMRLQDBBNQ-RBUKOAKNSA-N 0 0 488.593 -0.147 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC2(O)CCS(=O)(=O)CC2)n1 ZINC001492752330 1070783766 /nfs/dbraw/zinc/78/37/66/1070783766.db2.gz JWVZDVZEXHLINJ-INIZCTEOSA-N 0 0 465.580 -0.254 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC2(O)CCS(=O)(=O)CC2)n1 ZINC001492752331 1070783990 /nfs/dbraw/zinc/78/39/90/1070783990.db2.gz JWVZDVZEXHLINJ-MRXNPFEDSA-N 0 0 465.580 -0.254 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)C3)n2CCS(=O)(=O)N2CCSCC2)n1 ZINC001492752361 1070783802 /nfs/dbraw/zinc/78/38/02/1070783802.db2.gz LFDGCPSZOJDMBG-UHFFFAOYSA-N 0 0 482.636 -0.203 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)n1 ZINC001492753244 1070783714 /nfs/dbraw/zinc/78/37/14/1070783714.db2.gz RBYYDEMVKJWLBK-UHFFFAOYSA-N 0 0 480.577 -0.108 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CC(=O)NCC(F)F)n1 ZINC001492753397 1070783942 /nfs/dbraw/zinc/78/39/42/1070783942.db2.gz WURPVVGHFKBFNN-UHFFFAOYSA-N 0 0 479.536 -0.078 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCS(=O)(=O)NC(C)C)n1 ZINC001492753446 1070783774 /nfs/dbraw/zinc/78/37/74/1070783774.db2.gz YFLIINROGYOVKW-UHFFFAOYSA-N 0 0 495.654 -0.322 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN4CCOC[C@@H]4C3)n2CCS(=O)(=O)N(C)C)n1 ZINC001492753765 1070783966 /nfs/dbraw/zinc/78/39/66/1070783966.db2.gz IFIXHOFYLDEURL-KRWDZBQOSA-N 0 0 452.585 -0.448 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN4CCOC[C@H]4C3)n2CCS(=O)(=O)N(C)C)n1 ZINC001492753766 1070783891 /nfs/dbraw/zinc/78/38/91/1070783891.db2.gz IFIXHOFYLDEURL-QGZVFWFLSA-N 0 0 452.585 -0.448 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCC(=O)N(C)C)n1 ZINC001492753851 1070783881 /nfs/dbraw/zinc/78/38/81/1070783881.db2.gz JVTLNHUYENAWNG-INIZCTEOSA-N 0 0 457.539 -0.845 20 0 JBADRN Cc1cc(C)n(Cc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCC(=O)N(C)C)n1 ZINC001492753852 1070783955 /nfs/dbraw/zinc/78/39/55/1070783955.db2.gz JVTLNHUYENAWNG-MRXNPFEDSA-N 0 0 457.539 -0.845 20 0 JBADRN 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ZINC001492814197 1070783850 /nfs/dbraw/zinc/78/38/50/1070783850.db2.gz LMNIPOSDHJPOBP-UHFFFAOYSA-N 0 0 452.628 -0.517 20 0 JBADRN Cc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001492859018 1070783680 /nfs/dbraw/zinc/78/36/80/1070783680.db2.gz FKDQCDPBCZJAHD-DLBZAZTESA-N 0 0 476.625 -0.501 20 0 JBADRN Cc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001492859019 1070783919 /nfs/dbraw/zinc/78/39/19/1070783919.db2.gz FKDQCDPBCZJAHD-IAGOWNOFSA-N 0 0 476.625 -0.501 20 0 JBADRN Cc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001492859020 1070784329 /nfs/dbraw/zinc/78/43/29/1070784329.db2.gz FKDQCDPBCZJAHD-IRXDYDNUSA-N 0 0 476.625 -0.501 20 0 JBADRN Cc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001492859021 1070784599 /nfs/dbraw/zinc/78/45/99/1070784599.db2.gz FKDQCDPBCZJAHD-SJORKVTESA-N 0 0 476.625 -0.501 20 0 JBADRN Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCCOC[C@H]1CCOC1 ZINC001492885321 1070784556 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499.615 -0.030 20 0 JBADRN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNS(C)(=O)=O)CC(=O)N1C ZINC001494226975 1068292215 /nfs/dbraw/zinc/29/22/15/1068292215.db2.gz GTEMYULPHWJDHB-CYBMUJFWSA-N 0 0 470.577 -0.435 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNS(C)(=O)=O)CC(=O)N1C ZINC001494226976 1068292166 /nfs/dbraw/zinc/29/21/66/1068292166.db2.gz GTEMYULPHWJDHB-ZDUSSCGKSA-N 0 0 470.577 -0.435 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNS(C)(=O)=O)C[C@H]1N1CCOCC1 ZINC001494302030 1068291941 /nfs/dbraw/zinc/29/19/41/1068291941.db2.gz LZVBLHJAXGDRGP-DOTOQJQBSA-N 0 0 452.585 -0.225 20 0 JBADRN C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNS(C)(=O)=O)C[C@H]1N1CCOCC1 ZINC001494302031 1068292589 /nfs/dbraw/zinc/29/25/89/1068292589.db2.gz LZVBLHJAXGDRGP-NVXWUHKLSA-N 0 0 452.585 -0.225 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNS(C)(=O)=O)C[C@@H]1N1CCOCC1 ZINC001494302032 1068292690 /nfs/dbraw/zinc/29/26/90/1068292690.db2.gz LZVBLHJAXGDRGP-RDJZCZTQSA-N 0 0 452.585 -0.225 20 0 JBADRN C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNS(C)(=O)=O)C[C@@H]1N1CCOCC1 ZINC001494302033 1068292880 /nfs/dbraw/zinc/29/28/80/1068292880.db2.gz LZVBLHJAXGDRGP-WBVHZDCISA-N 0 0 452.585 -0.225 20 0 JBADRN C[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCS(=O)(=O)N(C)C)CC(=O)N1C ZINC001494316360 1068292715 /nfs/dbraw/zinc/29/27/15/1068292715.db2.gz MBZGHLDSEHELPS-AWEZNQCLSA-N 0 0 488.574 -0.250 20 0 JBADRN C[C@@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCS(=O)(=O)N(C)C)CC(=O)N1C ZINC001494316361 1068292906 /nfs/dbraw/zinc/29/29/06/1068292906.db2.gz MBZGHLDSEHELPS-CQSZACIVSA-N 0 0 488.574 -0.250 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1CC(F)(F)F ZINC001494320446 1068292777 /nfs/dbraw/zinc/29/27/77/1068292777.db2.gz ATMLMKOGBUCKEG-IGCXYCKISA-N 0 0 480.513 -0.148 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)CCN1CC(F)(F)F ZINC001494320447 1068292847 /nfs/dbraw/zinc/29/28/47/1068292847.db2.gz ATMLMKOGBUCKEG-IIYDPXPESA-N 0 0 480.513 -0.148 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)CCN1CC(F)(F)F ZINC001494320448 1068292567 /nfs/dbraw/zinc/29/25/67/1068292567.db2.gz ATMLMKOGBUCKEG-PBFPGSCMSA-N 0 0 480.513 -0.148 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1CC(F)(F)F ZINC001494320449 1068292822 /nfs/dbraw/zinc/29/28/22/1068292822.db2.gz ATMLMKOGBUCKEG-XNJGSVPQSA-N 0 0 480.513 -0.148 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CCN1CC(F)(F)F ZINC001494320608 1068292834 /nfs/dbraw/zinc/29/28/34/1068292834.db2.gz CNEJKZAATARSCY-NEPJUHHUSA-N 0 0 453.491 -0.149 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CCN1CC(F)(F)F ZINC001494320609 1068292621 /nfs/dbraw/zinc/29/26/21/1068292621.db2.gz CNEJKZAATARSCY-NWDGAFQWSA-N 0 0 453.491 -0.149 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CCN1CC(F)(F)F ZINC001494320610 1068292663 /nfs/dbraw/zinc/29/26/63/1068292663.db2.gz CNEJKZAATARSCY-RYUDHWBXSA-N 0 0 453.491 -0.149 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CCN1CC(F)(F)F ZINC001494320611 1068292804 /nfs/dbraw/zinc/29/28/04/1068292804.db2.gz CNEJKZAATARSCY-VXGBXAGGSA-N 0 0 453.491 -0.149 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CCS1 ZINC001494339950 1068292788 /nfs/dbraw/zinc/29/27/88/1068292788.db2.gz AUSOHNLQLATDBB-NEPJUHHUSA-N 0 0 468.552 -0.066 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CCS1 ZINC001494339951 1068292643 /nfs/dbraw/zinc/29/26/43/1068292643.db2.gz AUSOHNLQLATDBB-NWDGAFQWSA-N 0 0 468.552 -0.066 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CCS1 ZINC001494339952 1068292749 /nfs/dbraw/zinc/29/27/49/1068292749.db2.gz AUSOHNLQLATDBB-RYUDHWBXSA-N 0 0 468.552 -0.066 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CCS1 ZINC001494339953 1068292869 /nfs/dbraw/zinc/29/28/69/1068292869.db2.gz AUSOHNLQLATDBB-VXGBXAGGSA-N 0 0 468.552 -0.066 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@@]2(CCCOC2)O1 ZINC001494339954 1068292858 /nfs/dbraw/zinc/29/28/58/1068292858.db2.gz AVONXCWTVXDHKV-IIDMSEBBSA-N 0 0 477.609 -0.496 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@]2(CCCOC2)O1 ZINC001494339955 1068292762 /nfs/dbraw/zinc/29/27/62/1068292762.db2.gz AVONXCWTVXDHKV-RKVPGOIHSA-N 0 0 477.609 -0.496 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@@]2(CCCOC2)O1 ZINC001494339956 1068292677 /nfs/dbraw/zinc/29/26/77/1068292677.db2.gz AVONXCWTVXDHKV-RVKKMQEKSA-N 0 0 477.609 -0.496 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@]2(CCCOC2)O1 ZINC001494339957 1068293439 /nfs/dbraw/zinc/29/34/39/1068293439.db2.gz AVONXCWTVXDHKV-VKJFTORMSA-N 0 0 477.609 -0.496 20 0 JBADRN C[C@@H]1CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001494340379 1068293456 /nfs/dbraw/zinc/29/34/56/1068293456.db2.gz BWINPWZHIHYORT-DICRZQGBSA-N 0 0 470.596 -0.171 20 0 JBADRN C[C@@H]1CCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001494340380 1068293419 /nfs/dbraw/zinc/29/34/19/1068293419.db2.gz BWINPWZHIHYORT-IHSNIMORSA-N 0 0 470.596 -0.171 20 0 JBADRN C[C@H]1CCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001494340381 1068293349 /nfs/dbraw/zinc/29/33/49/1068293349.db2.gz BWINPWZHIHYORT-KSVNGYGVSA-N 0 0 470.596 -0.171 20 0 JBADRN C[C@H]1CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001494340382 1068293381 /nfs/dbraw/zinc/29/33/81/1068293381.db2.gz BWINPWZHIHYORT-QOIOWGMHSA-N 0 0 470.596 -0.171 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001494341589 1068293355 /nfs/dbraw/zinc/29/33/55/1068293355.db2.gz DFIBUIZGGJIBFT-NEPJUHHUSA-N 0 0 470.474 -0.485 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001494341599 1068293307 /nfs/dbraw/zinc/29/33/07/1068293307.db2.gz DFIBUIZGGJIBFT-NWDGAFQWSA-N 0 0 470.474 -0.485 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001494341603 1068293324 /nfs/dbraw/zinc/29/33/24/1068293324.db2.gz DFIBUIZGGJIBFT-RYUDHWBXSA-N 0 0 470.474 -0.485 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001494341607 1068293389 /nfs/dbraw/zinc/29/33/89/1068293389.db2.gz DFIBUIZGGJIBFT-VXGBXAGGSA-N 0 0 470.474 -0.485 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(N)=O)CCCC2)CCO1 ZINC001494343737 1068293410 /nfs/dbraw/zinc/29/34/10/1068293410.db2.gz IYIPLTIFBOFHRB-CABCVRRESA-N 0 0 456.569 -0.118 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(N)=O)CCCC2)CCO1 ZINC001494343738 1068293369 /nfs/dbraw/zinc/29/33/69/1068293369.db2.gz IYIPLTIFBOFHRB-GJZGRUSLSA-N 0 0 456.569 -0.118 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(N)=O)CCCC2)CCO1 ZINC001494343739 1068293452 /nfs/dbraw/zinc/29/34/52/1068293452.db2.gz IYIPLTIFBOFHRB-HUUCEWRRSA-N 0 0 456.569 -0.118 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(N)=O)CCCC2)CCO1 ZINC001494343740 1068293407 /nfs/dbraw/zinc/29/34/07/1068293407.db2.gz IYIPLTIFBOFHRB-LSDHHAIUSA-N 0 0 456.569 -0.118 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCOCC2)C[C@@H](C)O1 ZINC001494343749 1068293444 /nfs/dbraw/zinc/29/34/44/1068293444.db2.gz JGIVIRGCUAMMDS-BZUAXINKSA-N 0 0 459.569 -0.234 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCOCC2)C[C@@H](C)O1 ZINC001494343750 1068293431 /nfs/dbraw/zinc/29/34/31/1068293431.db2.gz JGIVIRGCUAMMDS-OAGGEKHMSA-N 0 0 459.569 -0.234 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCOCC2)C[C@H](C)O1 ZINC001494343751 1068293398 /nfs/dbraw/zinc/29/33/98/1068293398.db2.gz JGIVIRGCUAMMDS-OWCLPIDISA-N 0 0 459.569 -0.234 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCOCC2)C[C@H](C)O1 ZINC001494343752 1068293826 /nfs/dbraw/zinc/29/38/26/1068293826.db2.gz JGIVIRGCUAMMDS-XHSDSOJGSA-N 0 0 459.569 -0.234 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)CC(=O)N1C ZINC001494344746 1068293947 /nfs/dbraw/zinc/29/39/47/1068293947.db2.gz LLZNPMDEJZFEDM-CVEARBPZSA-N 0 0 454.597 -0.042 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)CC(=O)N1C ZINC001494344749 1068293741 /nfs/dbraw/zinc/29/37/41/1068293741.db2.gz LLZNPMDEJZFEDM-HOTGVXAUSA-N 0 0 454.597 -0.042 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)CC(=O)N1C ZINC001494344750 1068293708 /nfs/dbraw/zinc/29/37/08/1068293708.db2.gz LLZNPMDEJZFEDM-HZPDHXFCSA-N 0 0 454.597 -0.042 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)CC(=O)N1C ZINC001494344752 1068293900 /nfs/dbraw/zinc/29/39/00/1068293900.db2.gz LLZNPMDEJZFEDM-JKSUJKDBSA-N 0 0 454.597 -0.042 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(S(C)(=O)=O)CC2)CCO1 ZINC001494345464 1068293967 /nfs/dbraw/zinc/29/39/67/1068293967.db2.gz NQZSOFCUPQHYGN-KBPBESRZSA-N 0 0 463.582 -0.587 20 0 JBADRN 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CCC(CC)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1nncn1CC ZINC001497069834 1068303888 /nfs/dbraw/zinc/30/38/88/1068303888.db2.gz FBUFUPJSOXKQPS-UHFFFAOYSA-N 0 0 453.573 -0.062 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[C@H]1COCCO1 ZINC001497069843 1068303906 /nfs/dbraw/zinc/30/39/06/1068303906.db2.gz FIBFZQVCAJEVJR-CVEARBPZSA-N 0 0 463.539 -0.851 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[C@H]1COCCO1 ZINC001497069844 1068304043 /nfs/dbraw/zinc/30/40/43/1068304043.db2.gz FIBFZQVCAJEVJR-HOTGVXAUSA-N 0 0 463.539 -0.851 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[C@@H]1COCCO1 ZINC001497069845 1068303706 /nfs/dbraw/zinc/30/37/06/1068303706.db2.gz FIBFZQVCAJEVJR-HZPDHXFCSA-N 0 0 463.539 -0.851 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[C@@H]1COCCO1 ZINC001497069846 1068303622 /nfs/dbraw/zinc/30/36/22/1068303622.db2.gz FIBFZQVCAJEVJR-JKSUJKDBSA-N 0 0 463.539 -0.851 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CCOCC1(C)C ZINC001497070568 1068303974 /nfs/dbraw/zinc/30/39/74/1068303974.db2.gz LSFPIJYOCJAFQQ-KRWDZBQOSA-N 0 0 490.609 -0.546 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CCOCC1(C)C ZINC001497070569 1068303725 /nfs/dbraw/zinc/30/37/25/1068303725.db2.gz LSFPIJYOCJAFQQ-QGZVFWFLSA-N 0 0 490.609 -0.546 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCn1cncn1 ZINC001497070985 1068303603 /nfs/dbraw/zinc/30/36/03/1068303603.db2.gz NDWGLKFZPDRXIC-AWEZNQCLSA-N 0 0 453.573 -0.042 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccc(C)n(C)c1=O ZINC001497072108 1068303804 /nfs/dbraw/zinc/30/38/04/1068303804.db2.gz SKPIFNJTIWAFCM-KRWDZBQOSA-N 0 0 484.561 -0.601 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccc(C)n(C)c1=O ZINC001497072109 1068303925 /nfs/dbraw/zinc/30/39/25/1068303925.db2.gz SKPIFNJTIWAFCM-QGZVFWFLSA-N 0 0 484.561 -0.601 20 0 JBADRN 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CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001497075424 1068304420 /nfs/dbraw/zinc/30/44/20/1068304420.db2.gz ODZOQYUOVDWIIS-HIFRSBDPSA-N 0 0 453.569 -0.155 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001497075428 1068304513 /nfs/dbraw/zinc/30/45/13/1068304513.db2.gz ODZOQYUOVDWIIS-UKRRQHHQSA-N 0 0 453.569 -0.155 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001497075432 1068304476 /nfs/dbraw/zinc/30/44/76/1068304476.db2.gz ODZOQYUOVDWIIS-ZFWWWQNUSA-N 0 0 453.569 -0.155 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001497075765 1068304364 /nfs/dbraw/zinc/30/43/64/1068304364.db2.gz RDEGBJXPOCDPAX-CVEARBPZSA-N 0 0 462.555 -0.295 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001497075766 1068304237 /nfs/dbraw/zinc/30/42/37/1068304237.db2.gz RDEGBJXPOCDPAX-HOTGVXAUSA-N 0 0 462.555 -0.295 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC1CCS(=O)(=O)CC1 ZINC001497087434 1068304860 /nfs/dbraw/zinc/30/48/60/1068304860.db2.gz UZSNMYAPGPHPHV-INIZCTEOSA-N 0 0 470.596 -0.028 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC1CCS(=O)(=O)CC1 ZINC001497087437 1068304727 /nfs/dbraw/zinc/30/47/27/1068304727.db2.gz UZSNMYAPGPHPHV-MRXNPFEDSA-N 0 0 470.596 -0.028 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCN1CCCS1(=O)=O ZINC001497104034 1068304919 /nfs/dbraw/zinc/30/49/19/1068304919.db2.gz WASQAUFODRXUIH-KRWDZBQOSA-N 0 0 485.611 -0.427 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCN1CCCS1(=O)=O ZINC001497104035 1068304672 /nfs/dbraw/zinc/30/46/72/1068304672.db2.gz WASQAUFODRXUIH-QGZVFWFLSA-N 0 0 485.611 -0.427 20 0 JBADRN CCC(CC)NC(=O)c1nnc(N2CCS(=O)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001497112812 1068304971 /nfs/dbraw/zinc/30/49/71/1068304971.db2.gz GRADOAYBWBVPFV-UHFFFAOYSA-N 0 0 453.613 -0.071 20 0 JBADRN 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CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 ZINC001502230019 1068333654 /nfs/dbraw/zinc/33/36/54/1068333654.db2.gz VIIINGNSYLEYEZ-HNNXBMFYSA-N 0 0 457.582 -0.474 20 0 JBADRN CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 ZINC001502230020 1068333922 /nfs/dbraw/zinc/33/39/22/1068333922.db2.gz VIIINGNSYLEYEZ-OAHLLOKOSA-N 0 0 457.582 -0.474 20 0 JBADRN CCn1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)c1=O ZINC001502232476 1068333730 /nfs/dbraw/zinc/33/37/30/1068333730.db2.gz WSTAYAQTWLGBKD-UHFFFAOYSA-N 0 0 458.567 -0.144 20 0 JBADRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CCOC)C(=O)C2)c1=O ZINC001502233068 1068333867 /nfs/dbraw/zinc/33/38/67/1068333867.db2.gz ODUSRSBTPJLUPF-HNNXBMFYSA-N 0 0 481.579 -0.587 20 0 JBADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CCOC)C(=O)C2)c1=O ZINC001502233069 1068333710 /nfs/dbraw/zinc/33/37/10/1068333710.db2.gz ODUSRSBTPJLUPF-OAHLLOKOSA-N 0 0 481.579 -0.587 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)c1=O ZINC001502235179 1068333631 /nfs/dbraw/zinc/33/36/31/1068333631.db2.gz FCDUUIXUDRURMT-INIZCTEOSA-N 0 0 479.563 -0.881 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)c1=O ZINC001502235180 1068333835 /nfs/dbraw/zinc/33/38/35/1068333835.db2.gz FCDUUIXUDRURMT-MRXNPFEDSA-N 0 0 479.563 -0.881 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)c1=O ZINC001502235235 1068333610 /nfs/dbraw/zinc/33/36/10/1068333610.db2.gz GZQFIAMQSQVQBO-INIZCTEOSA-N 0 0 463.564 -0.129 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)c1=O ZINC001502235236 1068333807 /nfs/dbraw/zinc/33/38/07/1068333807.db2.gz GZQFIAMQSQVQBO-MRXNPFEDSA-N 0 0 463.564 -0.129 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@@H](C)C2)c1=O ZINC001502235864 1068333671 /nfs/dbraw/zinc/33/36/71/1068333671.db2.gz ZPDMFKFPHSLTQK-DOTOQJQBSA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@H](C)C2)c1=O ZINC001502235865 1068333903 /nfs/dbraw/zinc/33/39/03/1068333903.db2.gz ZPDMFKFPHSLTQK-NVXWUHKLSA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@@H](C)C2)c1=O ZINC001502235866 1068333940 /nfs/dbraw/zinc/33/39/40/1068333940.db2.gz ZPDMFKFPHSLTQK-RDJZCZTQSA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@H](C)C2)c1=O ZINC001502235867 1068333819 /nfs/dbraw/zinc/33/38/19/1068333819.db2.gz ZPDMFKFPHSLTQK-WBVHZDCISA-N 0 0 493.590 -0.492 20 0 JBADRN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001502237002 1068333884 /nfs/dbraw/zinc/33/38/84/1068333884.db2.gz OMEBKKQBNVMFNI-UHFFFAOYSA-N 0 0 453.573 -0.064 20 0 JBADRN CCn1cnnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001502237657 1068333789 /nfs/dbraw/zinc/33/37/89/1068333789.db2.gz DFHVXICMQDRFKJ-CYBMUJFWSA-N 0 0 453.573 -0.005 20 0 JBADRN CCn1cnnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001502237658 1068334340 /nfs/dbraw/zinc/33/43/40/1068334340.db2.gz DFHVXICMQDRFKJ-ZDUSSCGKSA-N 0 0 453.573 -0.005 20 0 JBADRN CCn1cnnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001502237764 1068334214 /nfs/dbraw/zinc/33/42/14/1068334214.db2.gz GGBJLSJCBKIKSC-HNNXBMFYSA-N 0 0 480.599 -0.114 20 0 JBADRN CCn1cnnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001502237765 1068334537 /nfs/dbraw/zinc/33/45/37/1068334537.db2.gz GGBJLSJCBKIKSC-OAHLLOKOSA-N 0 0 480.599 -0.114 20 0 JBADRN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001502238077 1068334180 /nfs/dbraw/zinc/33/41/80/1068334180.db2.gz PABJQYJIRBCTJV-AWEZNQCLSA-N 0 0 453.573 -0.158 20 0 JBADRN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001502238078 1068334713 /nfs/dbraw/zinc/33/47/13/1068334713.db2.gz PABJQYJIRBCTJV-CQSZACIVSA-N 0 0 453.573 -0.158 20 0 JBADRN CCn1cnnc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001502240192 1068334359 /nfs/dbraw/zinc/33/43/59/1068334359.db2.gz DKYJEXRUYAUIFE-CQSZACIVSA-N 0 0 451.557 -0.251 20 0 JBADRN CCn1cnnc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001502240196 1068334188 /nfs/dbraw/zinc/33/41/88/1068334188.db2.gz DSBVCNCLTMBYPA-CQSZACIVSA-N 0 0 451.557 -0.346 20 0 JBADRN CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502244287 1068334659 /nfs/dbraw/zinc/33/46/59/1068334659.db2.gz FARLMCLUVQBWDG-HRCADAONSA-N 0 0 492.668 -0.253 20 0 JBADRN CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502244288 1068334130 /nfs/dbraw/zinc/33/41/30/1068334130.db2.gz FARLMCLUVQBWDG-JYJNAYRXSA-N 0 0 492.668 -0.253 20 0 JBADRN CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001502244289 1068334609 /nfs/dbraw/zinc/33/46/09/1068334609.db2.gz FARLMCLUVQBWDG-OWCLPIDISA-N 0 0 492.668 -0.253 20 0 JBADRN CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001502244290 1068334483 /nfs/dbraw/zinc/33/44/83/1068334483.db2.gz FARLMCLUVQBWDG-PMPSAXMXSA-N 0 0 492.668 -0.253 20 0 JBADRN CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001502257279 1068334731 /nfs/dbraw/zinc/33/47/31/1068334731.db2.gz ISCOMGCZTOOYBC-ILXRZTDVSA-N 0 0 493.581 -0.089 20 0 JBADRN CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001502257280 1068334427 /nfs/dbraw/zinc/33/44/27/1068334427.db2.gz ISCOMGCZTOOYBC-KKUMJFAQSA-N 0 0 493.581 -0.089 20 0 JBADRN CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001502257281 1068334234 /nfs/dbraw/zinc/33/42/34/1068334234.db2.gz ISCOMGCZTOOYBC-QLFBSQMISA-N 0 0 493.581 -0.089 20 0 JBADRN CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC001502257887 1068335029 /nfs/dbraw/zinc/33/50/29/1068335029.db2.gz QSDXCNXBHQRMRG-HRCADAONSA-N 0 0 462.642 -0.010 20 0 JBADRN CCN1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC001502257888 1068335562 /nfs/dbraw/zinc/33/55/62/1068335562.db2.gz QSDXCNXBHQRMRG-JYJNAYRXSA-N 0 0 462.642 -0.010 20 0 JBADRN CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001502257889 1068335238 /nfs/dbraw/zinc/33/52/38/1068335238.db2.gz QSDXCNXBHQRMRG-OWCLPIDISA-N 0 0 462.642 -0.010 20 0 JBADRN CCN1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001502257890 1068335193 /nfs/dbraw/zinc/33/51/93/1068335193.db2.gz QSDXCNXBHQRMRG-PMPSAXMXSA-N 0 0 462.642 -0.010 20 0 JBADRN CCN1CCCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001502300678 1068337144 /nfs/dbraw/zinc/33/71/44/1068337144.db2.gz LEEDWSKZOZWTGN-UHFFFAOYSA-N 0 0 468.580 -0.488 20 0 JBADRN CCN1CCCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)NC(C)C)CC1=O ZINC001502300938 1068337219 /nfs/dbraw/zinc/33/72/19/1068337219.db2.gz RWRLOJCCAVVNDA-UHFFFAOYSA-N 0 0 455.585 -0.100 20 0 JBADRN CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCOCC2)CC1=O ZINC001502301435 1068336889 /nfs/dbraw/zinc/33/68/89/1068336889.db2.gz GRFQHMLITFCAJE-HNNXBMFYSA-N 0 0 471.584 -0.804 20 0 JBADRN CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCOCC2)CC1=O ZINC001502301436 1068337022 /nfs/dbraw/zinc/33/70/22/1068337022.db2.gz GRFQHMLITFCAJE-OAHLLOKOSA-N 0 0 471.584 -0.804 20 0 JBADRN CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)CC1=O ZINC001502301982 1068337067 /nfs/dbraw/zinc/33/70/67/1068337067.db2.gz VONATSPKKIDLJR-INIZCTEOSA-N 0 0 484.627 -0.889 20 0 JBADRN CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)CC1=O ZINC001502301983 1068337350 /nfs/dbraw/zinc/33/73/50/1068337350.db2.gz VONATSPKKIDLJR-MRXNPFEDSA-N 0 0 484.627 -0.889 20 0 JBADRN CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)CC1=O ZINC001502305703 1068337005 /nfs/dbraw/zinc/33/70/05/1068337005.db2.gz BLDYVHXCXQTUEM-CVEARBPZSA-N 0 0 456.569 -0.294 20 0 JBADRN CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)CC1=O ZINC001502305704 1068337051 /nfs/dbraw/zinc/33/70/51/1068337051.db2.gz BLDYVHXCXQTUEM-HOTGVXAUSA-N 0 0 456.569 -0.294 20 0 JBADRN CCN1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)CC1=O ZINC001502305705 1068337332 /nfs/dbraw/zinc/33/73/32/1068337332.db2.gz BLDYVHXCXQTUEM-HZPDHXFCSA-N 0 0 456.569 -0.294 20 0 JBADRN CCN1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)CC1=O ZINC001502305706 1068337201 /nfs/dbraw/zinc/33/72/01/1068337201.db2.gz BLDYVHXCXQTUEM-JKSUJKDBSA-N 0 0 456.569 -0.294 20 0 JBADRN CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)CC1=O ZINC001502306081 1068336913 /nfs/dbraw/zinc/33/69/13/1068336913.db2.gz LYEREFCHLSLJBK-GOSISDBHSA-N 0 0 481.623 -0.597 20 0 JBADRN CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)CC1=O ZINC001502306082 1068337040 /nfs/dbraw/zinc/33/70/40/1068337040.db2.gz LYEREFCHLSLJBK-SFHVURJKSA-N 0 0 481.623 -0.597 20 0 JBADRN CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2ccnc2C)CC1=O ZINC001502306303 1068337161 /nfs/dbraw/zinc/33/71/61/1068337161.db2.gz SYBBHVSSYZOILK-KRWDZBQOSA-N 0 0 480.595 -0.125 20 0 JBADRN CCN1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2ccnc2C)CC1=O ZINC001502306304 1068337237 /nfs/dbraw/zinc/33/72/37/1068337237.db2.gz SYBBHVSSYZOILK-QGZVFWFLSA-N 0 0 480.595 -0.125 20 0 JBADRN CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCO[C@H]2C)CC1=O ZINC001502306393 1068337313 /nfs/dbraw/zinc/33/73/13/1068337313.db2.gz VVZBBVHSJKVWHK-FTRWYGJKSA-N 0 0 486.595 -0.791 20 0 JBADRN CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCO[C@@H]2C)CC1=O ZINC001502306394 1068337852 /nfs/dbraw/zinc/33/78/52/1068337852.db2.gz VVZBBVHSJKVWHK-GQIGUUNPSA-N 0 0 486.595 -0.791 20 0 JBADRN CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCO[C@@H]2C)CC1=O ZINC001502306395 1068337455 /nfs/dbraw/zinc/33/74/55/1068337455.db2.gz VVZBBVHSJKVWHK-GUXCAODWSA-N 0 0 486.595 -0.791 20 0 JBADRN 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/nfs/dbraw/zinc/37/76/29/1068377629.db2.gz UCHRDYNXEQQUQA-HNNXBMFYSA-N 0 0 478.641 -0.028 20 0 JBADRN CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001503280432 1068378072 /nfs/dbraw/zinc/37/80/72/1068378072.db2.gz UCHRDYNXEQQUQA-OAHLLOKOSA-N 0 0 478.641 -0.028 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001503280496 1068377966 /nfs/dbraw/zinc/37/79/66/1068377966.db2.gz OYTBLBXWEDPLDO-UHFFFAOYSA-N 0 0 453.569 -0.004 20 0 JBADRN CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001503280577 1068378151 /nfs/dbraw/zinc/37/81/51/1068378151.db2.gz VDUWLNOZXPJIHN-GOSISDBHSA-N 0 0 499.638 -0.908 20 0 JBADRN CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001503280578 1068378017 /nfs/dbraw/zinc/37/80/17/1068378017.db2.gz VDUWLNOZXPJIHN-SFHVURJKSA-N 0 0 499.638 -0.908 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001503281119 1068377948 /nfs/dbraw/zinc/37/79/48/1068377948.db2.gz BSMQWUSEEFPNKT-UHFFFAOYSA-N 0 0 490.590 -0.450 20 0 JBADRN CCS(=O)(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)C1 ZINC001503281212 1068378177 /nfs/dbraw/zinc/37/81/77/1068378177.db2.gz ZXOHLASTYJSUCB-UHFFFAOYSA-N 0 0 453.525 -0.386 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001503281379 1068378000 /nfs/dbraw/zinc/37/80/00/1068378000.db2.gz CTSOJSVLBLAAHS-KRWDZBQOSA-N 0 0 482.563 -0.147 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001503281382 1068378198 /nfs/dbraw/zinc/37/81/98/1068378198.db2.gz CTSOJSVLBLAAHS-QGZVFWFLSA-N 0 0 482.563 -0.147 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)CC1 ZINC001503281512 1068377876 /nfs/dbraw/zinc/37/78/76/1068377876.db2.gz JCIOIHUUHJNBTB-UHFFFAOYSA-N 0 0 453.525 -0.386 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001503281764 1068378213 /nfs/dbraw/zinc/37/82/13/1068378213.db2.gz KJVSXPVWXLNPNX-INIZCTEOSA-N 0 0 451.553 -0.071 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001503281789 1068378099 /nfs/dbraw/zinc/37/80/99/1068378099.db2.gz KJVSXPVWXLNPNX-MRXNPFEDSA-N 0 0 451.553 -0.071 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001503281942 1068377898 /nfs/dbraw/zinc/37/78/98/1068377898.db2.gz KNDBPBHBHMRNIH-UHFFFAOYSA-N 0 0 465.584 -0.982 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001503282108 1068378054 /nfs/dbraw/zinc/37/80/54/1068378054.db2.gz MWPYTKYUOANTKU-UHFFFAOYSA-N 0 0 457.582 -0.331 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001503282259 1068378250 /nfs/dbraw/zinc/37/82/50/1068378250.db2.gz PAJPNDPQKNSHDC-CABCVRRESA-N 0 0 455.585 -0.091 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001503282260 1068377983 /nfs/dbraw/zinc/37/79/83/1068377983.db2.gz PAJPNDPQKNSHDC-GJZGRUSLSA-N 0 0 455.585 -0.091 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001503282261 1068378232 /nfs/dbraw/zinc/37/82/32/1068378232.db2.gz PAJPNDPQKNSHDC-HUUCEWRRSA-N 0 0 455.585 -0.091 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001503282262 1068378138 /nfs/dbraw/zinc/37/81/38/1068378138.db2.gz PAJPNDPQKNSHDC-LSDHHAIUSA-N 0 0 455.585 -0.091 20 0 JBADRN CCS(=O)(=O)NCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001503282280 1068377930 /nfs/dbraw/zinc/37/79/30/1068377930.db2.gz PPZRDCUYGAMQLJ-UHFFFAOYSA-N 0 0 467.596 -0.198 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001503282334 1068378036 /nfs/dbraw/zinc/37/80/36/1068378036.db2.gz OGQCFXROJUJNLA-UHFFFAOYSA-N 0 0 466.612 -0.131 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001503282487 1068378113 /nfs/dbraw/zinc/37/81/13/1068378113.db2.gz RSTKGWBXFPYVHT-HNNXBMFYSA-N 0 0 451.557 -0.771 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001503282490 1068378442 /nfs/dbraw/zinc/37/84/42/1068378442.db2.gz RSTKGWBXFPYVHT-OAHLLOKOSA-N 0 0 451.557 -0.771 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001503282824 1068378425 /nfs/dbraw/zinc/37/84/25/1068378425.db2.gz WCYIJMHMJRFQKQ-HNNXBMFYSA-N 0 0 451.557 -0.323 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001503282825 1068378642 /nfs/dbraw/zinc/37/86/42/1068378642.db2.gz WCYIJMHMJRFQKQ-OAHLLOKOSA-N 0 0 451.557 -0.323 20 0 JBADRN CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001503283020 1068378458 /nfs/dbraw/zinc/37/84/58/1068378458.db2.gz WRBZAYFOHHIQDV-UHFFFAOYSA-N 0 0 486.624 -0.352 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001503283279 1068378658 /nfs/dbraw/zinc/37/86/58/1068378658.db2.gz SJNPNKDUTDQEBL-KRWDZBQOSA-N 0 0 480.547 -0.393 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001503283282 1068378502 /nfs/dbraw/zinc/37/85/02/1068378502.db2.gz SJNPNKDUTDQEBL-QGZVFWFLSA-N 0 0 480.547 -0.393 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001503283575 1068378607 /nfs/dbraw/zinc/37/86/07/1068378607.db2.gz ACSZJZFJQAMKHL-INIZCTEOSA-N 0 0 478.641 -0.123 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001503283579 1068378409 /nfs/dbraw/zinc/37/84/09/1068378409.db2.gz ACSZJZFJQAMKHL-MRXNPFEDSA-N 0 0 478.641 -0.123 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001503283614 1068378487 /nfs/dbraw/zinc/37/84/87/1068378487.db2.gz VMJOPRBVWGAMNE-INIZCTEOSA-N 0 0 480.547 -0.046 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001503283629 1068378546 /nfs/dbraw/zinc/37/85/46/1068378546.db2.gz VMJOPRBVWGAMNE-MRXNPFEDSA-N 0 0 480.547 -0.046 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001503283632 1068378514 /nfs/dbraw/zinc/37/85/14/1068378514.db2.gz AUMURJIKHXOHNB-CABCVRRESA-N 0 0 464.614 -0.513 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001503283640 1068378561 /nfs/dbraw/zinc/37/85/61/1068378561.db2.gz AUMURJIKHXOHNB-GJZGRUSLSA-N 0 0 464.614 -0.513 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001503283642 1068378381 /nfs/dbraw/zinc/37/83/81/1068378381.db2.gz AUMURJIKHXOHNB-HUUCEWRRSA-N 0 0 464.614 -0.513 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001503283644 1068378627 /nfs/dbraw/zinc/37/86/27/1068378627.db2.gz AUMURJIKHXOHNB-LSDHHAIUSA-N 0 0 464.614 -0.513 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001503283678 1068378581 /nfs/dbraw/zinc/37/85/81/1068378581.db2.gz BFLHFJUGRAWYBM-HNNXBMFYSA-N 0 0 478.641 -0.028 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001503283679 1068378345 /nfs/dbraw/zinc/37/83/45/1068378345.db2.gz BFLHFJUGRAWYBM-OAHLLOKOSA-N 0 0 478.641 -0.028 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 ZINC001503283713 1068378472 /nfs/dbraw/zinc/37/84/72/1068378472.db2.gz WGCWBOKVYWTVPB-UHFFFAOYSA-N 0 0 494.574 -0.049 20 0 JBADRN CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001503283914 1068378530 /nfs/dbraw/zinc/37/85/30/1068378530.db2.gz ZSVVASBJCLGCOT-UHFFFAOYSA-N 0 0 486.576 -0.305 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 ZINC001503283923 1068378394 /nfs/dbraw/zinc/37/83/94/1068378394.db2.gz JMVCMJZSZGPYJV-UHFFFAOYSA-N 0 0 471.609 -0.132 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001503283950 1068378365 /nfs/dbraw/zinc/37/83/65/1068378365.db2.gz CNFRXZKOWXBULX-KRWDZBQOSA-N 0 0 485.611 -0.314 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001503283952 1068378874 /nfs/dbraw/zinc/37/88/74/1068378874.db2.gz CNFRXZKOWXBULX-QGZVFWFLSA-N 0 0 485.611 -0.314 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001503283986 1068379074 /nfs/dbraw/zinc/37/90/74/1068379074.db2.gz CYDUTKZJXJPFFQ-KRWDZBQOSA-N 0 0 469.612 -0.140 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001503283988 1068379040 /nfs/dbraw/zinc/37/90/40/1068379040.db2.gz CYDUTKZJXJPFFQ-QGZVFWFLSA-N 0 0 469.612 -0.140 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001503283992 1068379163 /nfs/dbraw/zinc/37/91/63/1068379163.db2.gz DBOZSBQPVFYGAL-HNNXBMFYSA-N 0 0 466.568 -0.302 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001503283996 1068379013 /nfs/dbraw/zinc/37/90/13/1068379013.db2.gz DBOZSBQPVFYGAL-OAHLLOKOSA-N 0 0 466.568 -0.302 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001503284009 1068378819 /nfs/dbraw/zinc/37/88/19/1068378819.db2.gz DHAQLHBLCZNUGS-INIZCTEOSA-N 0 0 492.668 -0.334 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001503284011 1068379059 /nfs/dbraw/zinc/37/90/59/1068379059.db2.gz DHAQLHBLCZNUGS-MRXNPFEDSA-N 0 0 492.668 -0.334 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 ZINC001503284067 1068378840 /nfs/dbraw/zinc/37/88/40/1068378840.db2.gz FEJHGCVTNYGMSF-CVEARBPZSA-N 0 0 494.640 -0.444 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001503284068 1068379112 /nfs/dbraw/zinc/37/91/12/1068379112.db2.gz FEJHGCVTNYGMSF-HOTGVXAUSA-N 0 0 494.640 -0.444 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 ZINC001503284069 1068378961 /nfs/dbraw/zinc/37/89/61/1068378961.db2.gz FEJHGCVTNYGMSF-HZPDHXFCSA-N 0 0 494.640 -0.444 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001503284070 1068378979 /nfs/dbraw/zinc/37/89/79/1068378979.db2.gz FEJHGCVTNYGMSF-JKSUJKDBSA-N 0 0 494.640 -0.444 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 ZINC001503284076 1068379129 /nfs/dbraw/zinc/37/91/29/1068379129.db2.gz FKUCVCDJRQVZSQ-KBPBESRZSA-N 0 0 482.654 -0.508 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 ZINC001503284077 1068378942 /nfs/dbraw/zinc/37/89/42/1068378942.db2.gz FKUCVCDJRQVZSQ-KGLIPLIRSA-N 0 0 482.654 -0.508 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 ZINC001503284078 1068378995 /nfs/dbraw/zinc/37/89/95/1068378995.db2.gz FKUCVCDJRQVZSQ-UONOGXRCSA-N 0 0 482.654 -0.508 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 ZINC001503284079 1068378923 /nfs/dbraw/zinc/37/89/23/1068378923.db2.gz FKUCVCDJRQVZSQ-ZIAGYGMSSA-N 0 0 482.654 -0.508 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 ZINC001503284110 1068378905 /nfs/dbraw/zinc/37/89/05/1068378905.db2.gz LPIRRCSLTPMMMF-UHFFFAOYSA-N 0 0 451.553 -0.502 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001503284181 1068379095 /nfs/dbraw/zinc/37/90/95/1068379095.db2.gz FLANZROAKDYFRN-ILXRZTDVSA-N 0 0 464.614 -0.215 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001503284182 1068379029 /nfs/dbraw/zinc/37/90/29/1068379029.db2.gz FLANZROAKDYFRN-KFWWJZLASA-N 0 0 464.614 -0.215 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001503284183 1068378890 /nfs/dbraw/zinc/37/88/90/1068378890.db2.gz FLANZROAKDYFRN-KKUMJFAQSA-N 0 0 464.614 -0.215 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C ZINC001503284184 1068378856 /nfs/dbraw/zinc/37/88/56/1068378856.db2.gz FLANZROAKDYFRN-ZNMIVQPWSA-N 0 0 464.614 -0.215 20 0 JBADRN CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001503284202 1068379790 /nfs/dbraw/zinc/37/97/90/1068379790.db2.gz FUKGBWKXOJVAHA-UHFFFAOYSA-N 0 0 471.628 -0.021 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503284222 1068379510 /nfs/dbraw/zinc/37/95/10/1068379510.db2.gz GEFZQOFNXDQCHQ-INIZCTEOSA-N 0 0 490.652 -0.580 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503284223 1068379827 /nfs/dbraw/zinc/37/98/27/1068379827.db2.gz GEFZQOFNXDQCHQ-MRXNPFEDSA-N 0 0 490.652 -0.580 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001503284494 1068379662 /nfs/dbraw/zinc/37/96/62/1068379662.db2.gz RTPJFXFLIRXUNS-UHFFFAOYSA-N 0 0 464.596 -0.587 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001503284525 1068379762 /nfs/dbraw/zinc/37/97/62/1068379762.db2.gz SUNZVJLSCYNWRB-AWEZNQCLSA-N 0 0 467.577 -0.983 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001503284526 1068379646 /nfs/dbraw/zinc/37/96/46/1068379646.db2.gz SUNZVJLSCYNWRB-CQSZACIVSA-N 0 0 467.577 -0.983 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001503284605 1068379497 /nfs/dbraw/zinc/37/94/97/1068379497.db2.gz JKZSOVVJMUSWHZ-HNNXBMFYSA-N 0 0 479.625 -0.045 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001503284607 1068379776 /nfs/dbraw/zinc/37/97/76/1068379776.db2.gz JKZSOVVJMUSWHZ-OAHLLOKOSA-N 0 0 479.625 -0.045 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001503284630 1068379484 /nfs/dbraw/zinc/37/94/84/1068379484.db2.gz JTUUXGWMPNWTCG-INIZCTEOSA-N 0 0 488.636 -0.432 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001503284638 1068379801 /nfs/dbraw/zinc/37/98/01/1068379801.db2.gz JTUUXGWMPNWTCG-MRXNPFEDSA-N 0 0 488.636 -0.432 20 0 JBADRN CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001503284757 1068379590 /nfs/dbraw/zinc/37/95/90/1068379590.db2.gz XUKOUQFVSFTDSO-UHFFFAOYSA-N 0 0 457.582 -0.715 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001503284761 1068379443 /nfs/dbraw/zinc/37/94/43/1068379443.db2.gz LLDDBRASRHWQOO-CVEARBPZSA-N 0 0 478.641 -0.123 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001503284762 1068379548 /nfs/dbraw/zinc/37/95/48/1068379548.db2.gz LLDDBRASRHWQOO-HOTGVXAUSA-N 0 0 478.641 -0.123 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001503284763 1068379817 /nfs/dbraw/zinc/37/98/17/1068379817.db2.gz LLDDBRASRHWQOO-HZPDHXFCSA-N 0 0 478.641 -0.123 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001503284764 1068380157 /nfs/dbraw/zinc/38/01/57/1068380157.db2.gz LLDDBRASRHWQOO-JKSUJKDBSA-N 0 0 478.641 -0.123 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001503284837 1068380137 /nfs/dbraw/zinc/38/01/37/1068380137.db2.gz MHGJRBBLCSPTIW-HNNXBMFYSA-N 0 0 488.636 -0.289 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001503284838 1068380306 /nfs/dbraw/zinc/38/03/06/1068380306.db2.gz MHGJRBBLCSPTIW-OAHLLOKOSA-N 0 0 488.636 -0.289 20 0 JBADRN CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001503284871 1068380020 /nfs/dbraw/zinc/38/00/20/1068380020.db2.gz MWWSQPJMJWMDMA-UHFFFAOYSA-N 0 0 471.628 -0.603 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 ZINC001503284881 1068380055 /nfs/dbraw/zinc/38/00/55/1068380055.db2.gz NAOMDXRIZBNDAJ-HNNXBMFYSA-N 0 0 462.598 -0.293 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 ZINC001503284882 1068380251 /nfs/dbraw/zinc/38/02/51/1068380251.db2.gz NAOMDXRIZBNDAJ-OAHLLOKOSA-N 0 0 462.598 -0.293 20 0 JBADRN CCS(=O)(=O)NCCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503284948 1068380268 /nfs/dbraw/zinc/38/02/68/1068380268.db2.gz ARCCBPLIZQGAGG-UHFFFAOYSA-N 0 0 485.611 -0.978 20 0 JBADRN CCS(=O)(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)C1 ZINC001503285082 1068380035 /nfs/dbraw/zinc/38/00/35/1068380035.db2.gz PLXSGDPADCBZDW-UHFFFAOYSA-N 0 0 477.595 -0.330 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001503285106 1068380167 /nfs/dbraw/zinc/38/01/67/1068380167.db2.gz CZEVNRNASAEGEU-PVAVHDDUSA-N 0 0 458.585 -0.002 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001503285108 1068380080 /nfs/dbraw/zinc/38/00/80/1068380080.db2.gz CZEVNRNASAEGEU-XIRDDKMYSA-N 0 0 458.585 -0.002 20 0 JBADRN CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001503285232 1068380325 /nfs/dbraw/zinc/38/03/25/1068380325.db2.gz GAHWRYOKDRKESV-JGCGQSQUSA-N 0 0 467.596 -0.544 20 0 JBADRN CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001503285233 1068380101 /nfs/dbraw/zinc/38/01/01/1068380101.db2.gz GAHWRYOKDRKESV-YTTGMZPUSA-N 0 0 467.596 -0.544 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001503285293 1068380291 /nfs/dbraw/zinc/38/02/91/1068380291.db2.gz HDYCKUFJOJMCSB-CQSZACIVSA-N 0 0 450.587 -0.413 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001503285504 1068380117 /nfs/dbraw/zinc/38/01/17/1068380117.db2.gz JUXCMRRKAQGUBG-QZWWFDLISA-N 0 0 470.596 -0.096 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001503285522 1068380184 /nfs/dbraw/zinc/38/01/84/1068380184.db2.gz KSWHKUIITLKFBR-QGZVFWFLSA-N 0 0 469.612 -0.187 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001503285807 1068380342 /nfs/dbraw/zinc/38/03/42/1068380342.db2.gz VBYPWTVYEYEBPH-PBHICJAKSA-N 0 0 463.582 -0.885 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001503285808 1068380203 /nfs/dbraw/zinc/38/02/03/1068380203.db2.gz VBYPWTVYEYEBPH-RHSMWYFYSA-N 0 0 463.582 -0.885 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001503285809 1068380377 /nfs/dbraw/zinc/38/03/77/1068380377.db2.gz VBYPWTVYEYEBPH-WMLDXEAASA-N 0 0 463.582 -0.885 20 0 JBADRN CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001503285810 1068380361 /nfs/dbraw/zinc/38/03/61/1068380361.db2.gz VBYPWTVYEYEBPH-YOEHRIQHSA-N 0 0 463.582 -0.885 20 0 JBADRN CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001503285830 1068380231 /nfs/dbraw/zinc/38/02/31/1068380231.db2.gz AITKVTPVRULLEX-UHFFFAOYSA-N 0 0 453.569 -0.554 20 0 JBADRN CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001503285913 1068380890 /nfs/dbraw/zinc/38/08/90/1068380890.db2.gz AZANPIZHQKJONN-UHFFFAOYSA-N 0 0 491.640 -0.800 20 0 JBADRN 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CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CC2)CCO1 ZINC001503773463 1068422809 /nfs/dbraw/zinc/42/28/09/1068422809.db2.gz UODKYGZUAPRNRC-YWZLYKJASA-N 0 0 471.580 -0.153 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC3(C2)OCCO3)CCO1 ZINC001503773596 1068422876 /nfs/dbraw/zinc/42/28/76/1068422876.db2.gz CHCNWXNWFUUKCG-ILXRZTDVSA-N 0 0 472.568 -0.617 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC3(C2)OCCO3)CCO1 ZINC001503773599 1068422820 /nfs/dbraw/zinc/42/28/20/1068422820.db2.gz CHCNWXNWFUUKCG-KFWWJZLASA-N 0 0 472.568 -0.617 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC3(C2)OCCO3)CCO1 ZINC001503773602 1068422885 /nfs/dbraw/zinc/42/28/85/1068422885.db2.gz CHCNWXNWFUUKCG-KKUMJFAQSA-N 0 0 472.568 -0.617 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC3(C2)OCCO3)CCO1 ZINC001503773605 1068422925 /nfs/dbraw/zinc/42/29/25/1068422925.db2.gz CHCNWXNWFUUKCG-ZNMIVQPWSA-N 0 0 472.568 -0.617 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCc3ccccc32)CCO1 ZINC001503773776 1068422870 /nfs/dbraw/zinc/42/28/70/1068422870.db2.gz DHLPHPUGCHCTEE-DAESXHAQSA-N 0 0 478.575 -0.327 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCc3ccccc32)CCO1 ZINC001503773777 1068422736 /nfs/dbraw/zinc/42/27/36/1068422736.db2.gz DHLPHPUGCHCTEE-FNXXIHLHSA-N 0 0 478.575 -0.327 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCc3ccccc32)CCO1 ZINC001503773778 1068422889 /nfs/dbraw/zinc/42/28/89/1068422889.db2.gz DHLPHPUGCHCTEE-LFRPXUGBSA-N 0 0 478.575 -0.327 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCc3ccccc32)CCO1 ZINC001503773779 1068423617 /nfs/dbraw/zinc/42/36/17/1068423617.db2.gz DHLPHPUGCHCTEE-XXHMAFKTSA-N 0 0 478.575 -0.327 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)C)CCO1 ZINC001503774292 1068423558 /nfs/dbraw/zinc/42/35/58/1068423558.db2.gz XKSWAAWWTDCIPN-HNNXBMFYSA-N 0 0 450.521 -0.612 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)C)CCO1 ZINC001503774296 1068423598 /nfs/dbraw/zinc/42/35/98/1068423598.db2.gz XKSWAAWWTDCIPN-OAHLLOKOSA-N 0 0 450.521 -0.612 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCS(=O)(=O)NC)CCO1 ZINC001503774339 1068423507 /nfs/dbraw/zinc/42/35/07/1068423507.db2.gz YWAKAKYAYPPLLO-INIZCTEOSA-N 0 0 459.532 -0.006 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCS(=O)(=O)NC)CCO1 ZINC001503774340 1068423621 /nfs/dbraw/zinc/42/36/21/1068423621.db2.gz YWAKAKYAYPPLLO-MRXNPFEDSA-N 0 0 459.532 -0.006 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COCC3)CCO1 ZINC001503774560 1068423605 /nfs/dbraw/zinc/42/36/05/1068423605.db2.gz GJOQSRHVALBWCZ-KBXCAEBGSA-N 0 0 478.575 -0.040 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COCC3)CCO1 ZINC001503774562 1068423642 /nfs/dbraw/zinc/42/36/42/1068423642.db2.gz GJOQSRHVALBWCZ-KDOFPFPSSA-N 0 0 478.575 -0.040 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COCC3)CCO1 ZINC001503774563 1068423531 /nfs/dbraw/zinc/42/35/31/1068423531.db2.gz GJOQSRHVALBWCZ-KSSFIOAISA-N 0 0 478.575 -0.040 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COCC3)CCO1 ZINC001503774564 1068423548 /nfs/dbraw/zinc/42/35/48/1068423548.db2.gz GJOQSRHVALBWCZ-RDTXWAMCSA-N 0 0 478.575 -0.040 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)N(C)C)c2)CCO1 ZINC001503774922 1068423662 /nfs/dbraw/zinc/42/36/62/1068423662.db2.gz JAKUCGAWQFNCNW-PBHICJAKSA-N 0 0 493.590 -0.410 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)N(C)C)c2)CCO1 ZINC001503774923 1068423576 /nfs/dbraw/zinc/42/35/76/1068423576.db2.gz JAKUCGAWQFNCNW-RHSMWYFYSA-N 0 0 493.590 -0.410 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)N(C)C)c2)CCO1 ZINC001503774924 1068423629 /nfs/dbraw/zinc/42/36/29/1068423629.db2.gz JAKUCGAWQFNCNW-WMLDXEAASA-N 0 0 493.590 -0.410 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)N(C)C)c2)CCO1 ZINC001503774925 1068423646 /nfs/dbraw/zinc/42/36/46/1068423646.db2.gz JAKUCGAWQFNCNW-YOEHRIQHSA-N 0 0 493.590 -0.410 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)N(C)C)CCO1 ZINC001503775218 1068423568 /nfs/dbraw/zinc/42/35/68/1068423568.db2.gz AMRAQNYEHCMVTG-KRWDZBQOSA-N 0 0 450.565 -0.094 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)N(C)C)CCO1 ZINC001503775221 1068424179 /nfs/dbraw/zinc/42/41/79/1068424179.db2.gz AMRAQNYEHCMVTG-QGZVFWFLSA-N 0 0 450.565 -0.094 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nncn2C)CCO1 ZINC001503775222 1068424153 /nfs/dbraw/zinc/42/41/53/1068424153.db2.gz LPVXQGQWUHIUNR-HNNXBMFYSA-N 0 0 473.925 -0.011 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nncn2C)CCO1 ZINC001503775226 1068424212 /nfs/dbraw/zinc/42/42/12/1068424212.db2.gz LPVXQGQWUHIUNR-OAHLLOKOSA-N 0 0 473.925 -0.011 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CCCS2(=O)=O)CCO1 ZINC001503775244 1068424140 /nfs/dbraw/zinc/42/41/40/1068424140.db2.gz AUGABHDYFZRISA-GOSISDBHSA-N 0 0 478.575 -0.114 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CCCS2(=O)=O)CCO1 ZINC001503775245 1068424198 /nfs/dbraw/zinc/42/41/98/1068424198.db2.gz AUGABHDYFZRISA-SFHVURJKSA-N 0 0 478.575 -0.114 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(CCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 ZINC001503775334 1068424147 /nfs/dbraw/zinc/42/41/47/1068424147.db2.gz BZTUTSOZOFGIKT-GOSISDBHSA-N 0 0 477.587 -0.046 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 ZINC001503775335 1068424195 /nfs/dbraw/zinc/42/41/95/1068424195.db2.gz BZTUTSOZOFGIKT-SFHVURJKSA-N 0 0 477.587 -0.046 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC)CCO1 ZINC001503775403 1068424103 /nfs/dbraw/zinc/42/41/03/1068424103.db2.gz AEUCJEBGIIKZLV-MSOLQXFVSA-N 0 0 494.574 -0.381 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC)CCO1 ZINC001503775407 1068424136 /nfs/dbraw/zinc/42/41/36/1068424136.db2.gz AEUCJEBGIIKZLV-QZTJIDSGSA-N 0 0 494.574 -0.381 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC)CCO1 ZINC001503775411 1068424167 /nfs/dbraw/zinc/42/41/67/1068424167.db2.gz AEUCJEBGIIKZLV-ROUUACIJSA-N 0 0 494.574 -0.381 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC)CCO1 ZINC001503775415 1068424174 /nfs/dbraw/zinc/42/41/74/1068424174.db2.gz AEUCJEBGIIKZLV-ZWKOTPCHSA-N 0 0 494.574 -0.381 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)C)CCO1 ZINC001503775418 1068424218 /nfs/dbraw/zinc/42/42/18/1068424218.db2.gz AFMCCMIXXUYZNO-INIZCTEOSA-N 0 0 457.539 -0.509 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)C)CCO1 ZINC001503775419 1068424111 /nfs/dbraw/zinc/42/41/11/1068424111.db2.gz AFMCCMIXXUYZNO-MRXNPFEDSA-N 0 0 457.539 -0.509 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(OC)ccc2OC)CCO1 ZINC001503775539 1068424182 /nfs/dbraw/zinc/42/41/82/1068424182.db2.gz MFQRMVXFCJECOF-CXAGYDPISA-N 0 0 482.563 -0.095 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(OC)ccc2OC)CCO1 ZINC001503775542 1068424127 /nfs/dbraw/zinc/42/41/27/1068424127.db2.gz MFQRMVXFCJECOF-DYVFJYSZSA-N 0 0 482.563 -0.095 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(OC)ccc2OC)CCO1 ZINC001503775545 1068424131 /nfs/dbraw/zinc/42/41/31/1068424131.db2.gz MFQRMVXFCJECOF-GUYCJALGSA-N 0 0 482.563 -0.095 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(OC)ccc2OC)CCO1 ZINC001503775549 1068424208 /nfs/dbraw/zinc/42/42/08/1068424208.db2.gz MFQRMVXFCJECOF-SUMWQHHRSA-N 0 0 482.563 -0.095 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)CCO1 ZINC001503775592 1068424191 /nfs/dbraw/zinc/42/41/91/1068424191.db2.gz MMXYOWGNCCWVGC-BXUZGUMPSA-N 0 0 457.944 -0.064 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)CCO1 ZINC001503775594 1068424118 /nfs/dbraw/zinc/42/41/18/1068424118.db2.gz MMXYOWGNCCWVGC-FZMZJTMJSA-N 0 0 457.944 -0.064 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)CCO1 ZINC001503775596 1068424160 /nfs/dbraw/zinc/42/41/60/1068424160.db2.gz MMXYOWGNCCWVGC-RISCZKNCSA-N 0 0 457.944 -0.064 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)CCO1 ZINC001503775599 1068424981 /nfs/dbraw/zinc/42/49/81/1068424981.db2.gz MMXYOWGNCCWVGC-SMDDNHRTSA-N 0 0 457.944 -0.064 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 ZINC001503775654 1068425069 /nfs/dbraw/zinc/42/50/69/1068425069.db2.gz DKMXYMTYCSGGCW-INIZCTEOSA-N 0 0 464.548 -0.845 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 ZINC001503775658 1068424930 /nfs/dbraw/zinc/42/49/30/1068424930.db2.gz DKMXYMTYCSGGCW-MRXNPFEDSA-N 0 0 464.548 -0.845 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)CCO1 ZINC001503776371 1068424942 /nfs/dbraw/zinc/42/49/42/1068424942.db2.gz DVBZBRUDGCRURV-KBPBESRZSA-N 0 0 478.522 -0.393 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)CCO1 ZINC001503776372 1068424871 /nfs/dbraw/zinc/42/48/71/1068424871.db2.gz DVBZBRUDGCRURV-KGLIPLIRSA-N 0 0 478.522 -0.393 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)CCO1 ZINC001503776373 1068425022 /nfs/dbraw/zinc/42/50/22/1068425022.db2.gz DVBZBRUDGCRURV-UONOGXRCSA-N 0 0 478.522 -0.393 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)CCO1 ZINC001503776374 1068424987 /nfs/dbraw/zinc/42/49/87/1068424987.db2.gz DVBZBRUDGCRURV-ZIAGYGMSSA-N 0 0 478.522 -0.393 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC2(C(N)=O)CCOCC2)CCO1 ZINC001503776597 1068424895 /nfs/dbraw/zinc/42/48/95/1068424895.db2.gz ISBYZSZXOZAJDE-HNNXBMFYSA-N 0 0 463.564 -0.133 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CC2(C(N)=O)CCOCC2)CCO1 ZINC001503776600 1068424853 /nfs/dbraw/zinc/42/48/53/1068424853.db2.gz ISBYZSZXOZAJDE-OAHLLOKOSA-N 0 0 463.564 -0.133 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCNS(C)(=O)=O)CCO1 ZINC001503776644 1068425011 /nfs/dbraw/zinc/42/50/11/1068425011.db2.gz JCNMNNJCGTZJLK-KRWDZBQOSA-N 0 0 450.565 -0.046 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCNS(C)(=O)=O)CCO1 ZINC001503776647 1068425073 /nfs/dbraw/zinc/42/50/73/1068425073.db2.gz JCNMNNJCGTZJLK-QGZVFWFLSA-N 0 0 450.565 -0.046 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CCCNS(C)(=O)=O)CCO1 ZINC001503777587 1068424952 /nfs/dbraw/zinc/42/49/52/1068424952.db2.gz GJRXEQJNEPELBJ-KRWDZBQOSA-N 0 0 466.564 -0.232 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CCCNS(C)(=O)=O)CCO1 ZINC001503777588 1068425463 /nfs/dbraw/zinc/42/54/63/1068425463.db2.gz GJRXEQJNEPELBJ-QGZVFWFLSA-N 0 0 466.564 -0.232 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)NC)CCO1 ZINC001503777870 1068425588 /nfs/dbraw/zinc/42/55/88/1068425588.db2.gz PSJVMPUOPWXUFE-KRWDZBQOSA-N 0 0 461.548 -0.149 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)NC)CCO1 ZINC001503777871 1068425670 /nfs/dbraw/zinc/42/56/70/1068425670.db2.gz PSJVMPUOPWXUFE-QGZVFWFLSA-N 0 0 461.548 -0.149 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2=O)CCO1 ZINC001503778004 1068425700 /nfs/dbraw/zinc/42/57/00/1068425700.db2.gz TUSKUAHDXOXVMY-CABCVRRESA-N 0 0 471.584 -0.758 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2=O)CCO1 ZINC001503778005 1068425534 /nfs/dbraw/zinc/42/55/34/1068425534.db2.gz TUSKUAHDXOXVMY-GJZGRUSLSA-N 0 0 471.584 -0.758 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2=O)CCO1 ZINC001503778008 1068425557 /nfs/dbraw/zinc/42/55/57/1068425557.db2.gz TUSKUAHDXOXVMY-HUUCEWRRSA-N 0 0 471.584 -0.758 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2=O)CCO1 ZINC001503778009 1068425678 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ZINC001503827937 1068438470 /nfs/dbraw/zinc/43/84/70/1068438470.db2.gz CAWFHDHYSSQSFP-OAHLLOKOSA-N 0 0 455.562 -0.027 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001503828007 1068438444 /nfs/dbraw/zinc/43/84/44/1068438444.db2.gz ACMTUWLUHAAMKG-UHFFFAOYSA-N 0 0 455.585 -0.053 20 0 JBADRN CNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001503828085 1068438521 /nfs/dbraw/zinc/43/85/21/1068438521.db2.gz UJHYJARTQQSLNX-GOSISDBHSA-N 0 0 469.593 -0.355 20 0 JBADRN CNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001503828090 1068438432 /nfs/dbraw/zinc/43/84/32/1068438432.db2.gz UJHYJARTQQSLNX-SFHVURJKSA-N 0 0 469.593 -0.355 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 ZINC001503828104 1068438421 /nfs/dbraw/zinc/43/84/21/1068438421.db2.gz BDIGHMZOYIELMI-UHFFFAOYSA-N 0 0 454.532 -0.174 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001503828154 1068438528 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AVCFGZYUWZZNGX-GDBMZVCRSA-N 0 0 453.521 -0.137 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001503829334 1068439300 /nfs/dbraw/zinc/43/93/00/1068439300.db2.gz IVYDQNMHZRLANO-UHFFFAOYSA-N 0 0 453.491 -0.252 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001503829422 1068439351 /nfs/dbraw/zinc/43/93/51/1068439351.db2.gz JJWQEDKTRIOEST-UHFFFAOYSA-N 0 0 463.568 -0.512 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001503829790 1068439320 /nfs/dbraw/zinc/43/93/20/1068439320.db2.gz JVGKJZMLPSEHLO-UHFFFAOYSA-N 0 0 481.554 -0.047 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001503830120 1068439273 /nfs/dbraw/zinc/43/92/73/1068439273.db2.gz IYTXHXHXTXCMOQ-AOIWGVFYSA-N 0 0 479.582 -0.042 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001503830121 1068439333 /nfs/dbraw/zinc/43/93/33/1068439333.db2.gz MPUKLWCMXSIBEY-CVEARBPZSA-N 0 0 478.579 -0.369 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001503830122 1068439308 /nfs/dbraw/zinc/43/93/08/1068439308.db2.gz IYTXHXHXTXCMOQ-LNLFQRSKSA-N 0 0 479.582 -0.042 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001503830123 1068439225 /nfs/dbraw/zinc/43/92/25/1068439225.db2.gz MPUKLWCMXSIBEY-HOTGVXAUSA-N 0 0 478.579 -0.369 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001503830126 1068439340 /nfs/dbraw/zinc/43/93/40/1068439340.db2.gz MPUKLWCMXSIBEY-HZPDHXFCSA-N 0 0 478.579 -0.369 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001503830128 1068439312 /nfs/dbraw/zinc/43/93/12/1068439312.db2.gz MPUKLWCMXSIBEY-JKSUJKDBSA-N 0 0 478.579 -0.369 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 ZINC001503830182 1068439213 /nfs/dbraw/zinc/43/92/13/1068439213.db2.gz NLRYGIMJRFTBIA-UHFFFAOYSA-N 0 0 474.996 -0.021 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCN(CCOC)C(=O)C2)c1 ZINC001503830260 1068439348 /nfs/dbraw/zinc/43/93/48/1068439348.db2.gz REBDMDINYNCMHV-UHFFFAOYSA-N 0 0 486.558 -0.014 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)COC)CC2)c1 ZINC001503830282 1068439263 /nfs/dbraw/zinc/43/92/63/1068439263.db2.gz RSXFQWPGYYXHMH-KRWDZBQOSA-N 0 0 491.574 -0.519 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)COC)CC2)c1 ZINC001503830283 1068439328 /nfs/dbraw/zinc/43/93/28/1068439328.db2.gz RSXFQWPGYYXHMH-QGZVFWFLSA-N 0 0 491.574 -0.519 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N(C)CCNS(C)(=O)=O)c1 ZINC001503830291 1068439279 /nfs/dbraw/zinc/43/92/79/1068439279.db2.gz RWXKGTYWNUYAIR-HNNXBMFYSA-N 0 0 472.593 -0.276 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CCNS(C)(=O)=O)c1 ZINC001503830292 1068439251 /nfs/dbraw/zinc/43/92/51/1068439251.db2.gz RWXKGTYWNUYAIR-OAHLLOKOSA-N 0 0 472.593 -0.276 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001503830373 1068439326 /nfs/dbraw/zinc/43/93/26/1068439326.db2.gz ISHPWFAKSDCXPP-IBGZPJMESA-N 0 0 485.588 -0.107 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001503830375 1068439258 /nfs/dbraw/zinc/43/92/58/1068439258.db2.gz ISHPWFAKSDCXPP-LJQANCHMSA-N 0 0 485.588 -0.107 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001503830654 1068439303 /nfs/dbraw/zinc/43/93/03/1068439303.db2.gz PDRWRODAUUXKEO-UHFFFAOYSA-N 0 0 459.573 -0.120 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001503830675 1068439284 /nfs/dbraw/zinc/43/92/84/1068439284.db2.gz PIJAZOWTZMEICQ-UHFFFAOYSA-N 0 0 454.532 -0.174 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001503830724 1068439860 /nfs/dbraw/zinc/43/98/60/1068439860.db2.gz PTNFASHUZFUMBI-UHFFFAOYSA-N 0 0 466.543 -0.076 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)c1 ZINC001503831105 1068439972 /nfs/dbraw/zinc/43/99/72/1068439972.db2.gz XHHLSOVTKLVQGC-KRWDZBQOSA-N 0 0 491.574 -0.519 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)c1 ZINC001503831109 1068439870 /nfs/dbraw/zinc/43/98/70/1068439870.db2.gz XHHLSOVTKLVQGC-QGZVFWFLSA-N 0 0 491.574 -0.519 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001503831271 1068439976 /nfs/dbraw/zinc/43/99/76/1068439976.db2.gz UISNFCINEIBGRA-UHFFFAOYSA-N 0 0 493.590 -0.009 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001503831357 1068439964 /nfs/dbraw/zinc/43/99/64/1068439964.db2.gz NWWPRDAUYXLLTC-UHFFFAOYSA-N 0 0 477.591 -0.097 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001503831664 1068439920 /nfs/dbraw/zinc/43/99/20/1068439920.db2.gz WDLPPYMQKINUHE-UHFFFAOYSA-N 0 0 461.499 -0.444 20 0 JBADRN CNC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001503831914 1068439886 /nfs/dbraw/zinc/43/98/86/1068439886.db2.gz SDKNRZOHSJSROX-OAHLLOKOSA-N 0 0 473.625 -0.030 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 ZINC001503832802 1068439953 /nfs/dbraw/zinc/43/99/53/1068439953.db2.gz IXPNESSKEQOPHO-DOTOQJQBSA-N 0 0 486.620 -0.115 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 ZINC001503832803 1068439759 /nfs/dbraw/zinc/43/97/59/1068439759.db2.gz IXPNESSKEQOPHO-NVXWUHKLSA-N 0 0 486.620 -0.115 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 ZINC001503832804 1068439810 /nfs/dbraw/zinc/43/98/10/1068439810.db2.gz IXPNESSKEQOPHO-RDJZCZTQSA-N 0 0 486.620 -0.115 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 ZINC001503832805 1068439909 /nfs/dbraw/zinc/43/99/09/1068439909.db2.gz IXPNESSKEQOPHO-WBVHZDCISA-N 0 0 486.620 -0.115 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001503833033 1068439915 /nfs/dbraw/zinc/43/99/15/1068439915.db2.gz BPTHJGVBIPAGHI-UHFFFAOYSA-N 0 0 465.580 -0.287 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001503833367 1068439784 /nfs/dbraw/zinc/43/97/84/1068439784.db2.gz JKHOVDAYIBAKTM-UHFFFAOYSA-N 0 0 459.550 -0.254 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001503833742 1068439938 /nfs/dbraw/zinc/43/99/38/1068439938.db2.gz RWVBXSASXFIAAT-UHFFFAOYSA-N 0 0 459.550 -0.254 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001503834084 1068440765 /nfs/dbraw/zinc/44/07/65/1068440765.db2.gz VPPMOZBKROWACM-CYBMUJFWSA-N 0 0 450.521 -0.068 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001503834086 1068440852 /nfs/dbraw/zinc/44/08/52/1068440852.db2.gz VPPMOZBKROWACM-ZDUSSCGKSA-N 0 0 450.521 -0.068 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 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CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001503840846 1068445779 /nfs/dbraw/zinc/44/57/79/1068445779.db2.gz LCVNXGHRLYEYKN-ZWKOTPCHSA-N 0 0 477.591 -0.320 20 0 JBADRN CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001503841033 1068445918 /nfs/dbraw/zinc/44/59/18/1068445918.db2.gz PFVBHZMGMZMWBH-UHFFFAOYSA-N 0 0 496.663 -0.073 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001503841036 1068445692 /nfs/dbraw/zinc/44/56/92/1068445692.db2.gz LXABCSMATUBBIK-HNNXBMFYSA-N 0 0 471.609 -0.153 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001503841038 1068446615 /nfs/dbraw/zinc/44/66/15/1068446615.db2.gz LXABCSMATUBBIK-OAHLLOKOSA-N 0 0 471.609 -0.153 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001503841349 1068446530 /nfs/dbraw/zinc/44/65/30/1068446530.db2.gz PUGOXBOKMIKVSV-CVEARBPZSA-N 0 0 476.625 -0.274 20 0 JBADRN 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CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 ZINC001503841512 1068446642 /nfs/dbraw/zinc/44/66/42/1068446642.db2.gz QTZHEXFYGKJLRP-OAHLLOKOSA-N 0 0 492.624 -0.833 20 0 JBADRN CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001503841631 1068446523 /nfs/dbraw/zinc/44/65/23/1068446523.db2.gz XJBDTDVFNNSGSP-AWEZNQCLSA-N 0 0 469.593 -0.065 20 0 JBADRN CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001503841636 1068446506 /nfs/dbraw/zinc/44/65/06/1068446506.db2.gz XJBDTDVFNNSGSP-CQSZACIVSA-N 0 0 469.593 -0.065 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 ZINC001503841641 1068446498 /nfs/dbraw/zinc/44/64/98/1068446498.db2.gz RRPSQHCUJIRSEQ-HNNXBMFYSA-N 0 0 480.613 -0.977 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 ZINC001503841644 1068446560 /nfs/dbraw/zinc/44/65/60/1068446560.db2.gz RRPSQHCUJIRSEQ-OAHLLOKOSA-N 0 0 480.613 -0.977 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 ZINC001503841743 1068446542 /nfs/dbraw/zinc/44/65/42/1068446542.db2.gz STGQSGUIBSSAFK-CABCVRRESA-N 0 0 496.681 -0.118 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 ZINC001503841748 1068446488 /nfs/dbraw/zinc/44/64/88/1068446488.db2.gz STGQSGUIBSSAFK-GJZGRUSLSA-N 0 0 496.681 -0.118 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 ZINC001503841750 1068446576 /nfs/dbraw/zinc/44/65/76/1068446576.db2.gz STGQSGUIBSSAFK-HUUCEWRRSA-N 0 0 496.681 -0.118 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 ZINC001503841870 1068446655 /nfs/dbraw/zinc/44/66/55/1068446655.db2.gz STGQSGUIBSSAFK-LSDHHAIUSA-N 0 0 496.681 -0.118 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001503841902 1068446440 /nfs/dbraw/zinc/44/64/40/1068446440.db2.gz SXNDPBYZAUMDSC-PBHICJAKSA-N 0 0 494.665 -0.506 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001503841905 1068446458 /nfs/dbraw/zinc/44/64/58/1068446458.db2.gz SXNDPBYZAUMDSC-RHSMWYFYSA-N 0 0 494.665 -0.506 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001503841906 1068446512 /nfs/dbraw/zinc/44/65/12/1068446512.db2.gz SXNDPBYZAUMDSC-WMLDXEAASA-N 0 0 494.665 -0.506 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001503841910 1068446624 /nfs/dbraw/zinc/44/66/24/1068446624.db2.gz SXNDPBYZAUMDSC-YOEHRIQHSA-N 0 0 494.665 -0.506 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001503842117 1068447525 /nfs/dbraw/zinc/44/75/25/1068447525.db2.gz VPGSRVMBXAXDLJ-CABCVRRESA-N 0 0 471.609 -0.153 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001503842118 1068447337 /nfs/dbraw/zinc/44/73/37/1068447337.db2.gz VPGSRVMBXAXDLJ-GJZGRUSLSA-N 0 0 471.609 -0.153 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001503842119 1068447517 /nfs/dbraw/zinc/44/75/17/1068447517.db2.gz VPGSRVMBXAXDLJ-HUUCEWRRSA-N 0 0 471.609 -0.153 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001503842120 1068447343 /nfs/dbraw/zinc/44/73/43/1068447343.db2.gz VPGSRVMBXAXDLJ-LSDHHAIUSA-N 0 0 471.609 -0.153 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001503842195 1068447365 /nfs/dbraw/zinc/44/73/65/1068447365.db2.gz XLDUQYSFGIRMSD-KBPBESRZSA-N 0 0 480.613 -0.836 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001503842196 1068447418 /nfs/dbraw/zinc/44/74/18/1068447418.db2.gz XLDUQYSFGIRMSD-KGLIPLIRSA-N 0 0 480.613 -0.836 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001503842197 1068447532 /nfs/dbraw/zinc/44/75/32/1068447532.db2.gz XLDUQYSFGIRMSD-UONOGXRCSA-N 0 0 480.613 -0.836 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001503842198 1068447360 /nfs/dbraw/zinc/44/73/60/1068447360.db2.gz XLDUQYSFGIRMSD-ZIAGYGMSSA-N 0 0 480.613 -0.836 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001503842434 1068447544 /nfs/dbraw/zinc/44/75/44/1068447544.db2.gz YCRGQCPYBMTNCE-AWEZNQCLSA-N 0 0 450.587 -0.903 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001503842454 1068447454 /nfs/dbraw/zinc/44/74/54/1068447454.db2.gz YCRGQCPYBMTNCE-CQSZACIVSA-N 0 0 450.587 -0.903 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001503842456 1068447444 /nfs/dbraw/zinc/44/74/44/1068447444.db2.gz YCTMNDYFYYJGMA-CRAIPNDOSA-N 0 0 476.625 -0.970 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001503842458 1068447327 /nfs/dbraw/zinc/44/73/27/1068447327.db2.gz YCTMNDYFYYJGMA-MAUKXSAKSA-N 0 0 476.625 -0.970 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001503842460 1068447355 /nfs/dbraw/zinc/44/73/55/1068447355.db2.gz YCTMNDYFYYJGMA-QAPCUYQASA-N 0 0 476.625 -0.970 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001503842462 1068447561 /nfs/dbraw/zinc/44/75/61/1068447561.db2.gz YCTMNDYFYYJGMA-YJBOKZPZSA-N 0 0 476.625 -0.970 20 0 JBADRN COC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)C1 ZINC001503847649 1068447552 /nfs/dbraw/zinc/44/75/52/1068447552.db2.gz HTHXQYXZAKNPJS-CVEARBPZSA-N 0 0 486.595 -0.131 20 0 JBADRN COC(=O)[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)C1 ZINC001503847651 1068447391 /nfs/dbraw/zinc/44/73/91/1068447391.db2.gz HTHXQYXZAKNPJS-HOTGVXAUSA-N 0 0 486.595 -0.131 20 0 JBADRN COC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)C1 ZINC001503847653 1068448089 /nfs/dbraw/zinc/44/80/89/1068448089.db2.gz HTHXQYXZAKNPJS-HZPDHXFCSA-N 0 0 486.595 -0.131 20 0 JBADRN COC(=O)[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)C1 ZINC001503847655 1068448300 /nfs/dbraw/zinc/44/83/00/1068448300.db2.gz HTHXQYXZAKNPJS-JKSUJKDBSA-N 0 0 486.595 -0.131 20 0 JBADRN COC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C(C)C)C1 ZINC001503848466 1068448215 /nfs/dbraw/zinc/44/82/15/1068448215.db2.gz KAFNAXKNNMWMMR-CVEARBPZSA-N 0 0 486.595 -0.227 20 0 JBADRN COC(=O)[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C(C)C)C1 ZINC001503848467 1068448053 /nfs/dbraw/zinc/44/80/53/1068448053.db2.gz KAFNAXKNNMWMMR-HOTGVXAUSA-N 0 0 486.595 -0.227 20 0 JBADRN COC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C(C)C)C1 ZINC001503848468 1068448284 /nfs/dbraw/zinc/44/82/84/1068448284.db2.gz KAFNAXKNNMWMMR-HZPDHXFCSA-N 0 0 486.595 -0.227 20 0 JBADRN COC(=O)[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C(C)C)C1 ZINC001503848469 1068448117 /nfs/dbraw/zinc/44/81/17/1068448117.db2.gz KAFNAXKNNMWMMR-JKSUJKDBSA-N 0 0 486.595 -0.227 20 0 JBADRN 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COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)CC2)c(OC)n1 ZINC001504263278 1068457868 /nfs/dbraw/zinc/45/78/68/1068457868.db2.gz GBBFGORAHGRGJU-LBPRGKRZSA-N 0 0 458.566 -0.083 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cn1 ZINC001504264069 1068457983 /nfs/dbraw/zinc/45/79/83/1068457983.db2.gz NNIDTWGAPBHECF-KBPBESRZSA-N 0 0 487.608 -0.190 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cn1 ZINC001504264070 1068457932 /nfs/dbraw/zinc/45/79/32/1068457932.db2.gz NNIDTWGAPBHECF-UONOGXRCSA-N 0 0 487.608 -0.190 20 0 JBADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)c(OC)n1 ZINC001504275137 1068457771 /nfs/dbraw/zinc/45/77/71/1068457771.db2.gz LHSKDZSXKHOUHT-AWEZNQCLSA-N 0 0 450.521 -0.033 20 0 JBADRN COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)c(OC)n1 ZINC001504275139 1068457835 /nfs/dbraw/zinc/45/78/35/1068457835.db2.gz LHSKDZSXKHOUHT-CQSZACIVSA-N 0 0 450.521 -0.033 20 0 JBADRN COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 ZINC001504277740 1068457882 /nfs/dbraw/zinc/45/78/82/1068457882.db2.gz QXECAGZMKWYLJM-GDBMZVCRSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 ZINC001504277744 1068458019 /nfs/dbraw/zinc/45/80/19/1068458019.db2.gz QXECAGZMKWYLJM-GOEBONIOSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 ZINC001504277746 1068457739 /nfs/dbraw/zinc/45/77/39/1068457739.db2.gz QXECAGZMKWYLJM-HOCLYGCPSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 ZINC001504277748 1068457857 /nfs/dbraw/zinc/45/78/57/1068457857.db2.gz QXECAGZMKWYLJM-ZBFHGGJFSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccc(COCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC001504285694 1068457794 /nfs/dbraw/zinc/45/77/94/1068457794.db2.gz HSZZVRSJGXYFCA-KRWDZBQOSA-N 0 0 485.545 -0.211 20 0 JBADRN COc1ccc(COCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC001504285696 1068457992 /nfs/dbraw/zinc/45/79/92/1068457992.db2.gz HSZZVRSJGXYFCA-QGZVFWFLSA-N 0 0 485.545 -0.211 20 0 JBADRN COc1ccc(OC)c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)c1 ZINC001504299526 1068457910 /nfs/dbraw/zinc/45/79/10/1068457910.db2.gz ISYVMLGGZOPYOG-GOSISDBHSA-N 0 0 494.574 -0.045 20 0 JBADRN COc1ccc(OC)c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)c1 ZINC001504299528 1068458005 /nfs/dbraw/zinc/45/80/05/1068458005.db2.gz ISYVMLGGZOPYOG-SFHVURJKSA-N 0 0 494.574 -0.045 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC(=O)NC(C)C)cc1 ZINC001504312152 1068458013 /nfs/dbraw/zinc/45/80/13/1068458013.db2.gz QPTFNWPVMBMJGT-HNNXBMFYSA-N 0 0 471.518 -0.463 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC(=O)NC(C)C)cc1 ZINC001504312163 1068457959 /nfs/dbraw/zinc/45/79/59/1068457959.db2.gz QPTFNWPVMBMJGT-OAHLLOKOSA-N 0 0 471.518 -0.463 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCC(=O)N(C)C)cc1 ZINC001504313142 1068457924 /nfs/dbraw/zinc/45/79/24/1068457924.db2.gz HNOVSYWTRFPSHW-INIZCTEOSA-N 0 0 485.545 -0.119 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCC(=O)N(C)C)cc1 ZINC001504313144 1068457752 /nfs/dbraw/zinc/45/77/52/1068457752.db2.gz HNOVSYWTRFPSHW-MRXNPFEDSA-N 0 0 485.545 -0.119 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCS(C)(=O)=O)cc1 ZINC001504313145 1068457897 /nfs/dbraw/zinc/45/78/97/1068457897.db2.gz HOBMJNIKWOVRPL-HNNXBMFYSA-N 0 0 492.558 -0.553 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCS(C)(=O)=O)cc1 ZINC001504313147 1068457848 /nfs/dbraw/zinc/45/78/48/1068457848.db2.gz HOBMJNIKWOVRPL-OAHLLOKOSA-N 0 0 492.558 -0.553 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCNS(C)(=O)=O)cc1 ZINC001504314745 1068457821 /nfs/dbraw/zinc/45/78/21/1068457821.db2.gz SGSGIUCJZKYUSA-AWEZNQCLSA-N 0 0 465.536 -0.371 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCNS(C)(=O)=O)cc1 ZINC001504314746 1068458843 /nfs/dbraw/zinc/45/88/43/1068458843.db2.gz SGSGIUCJZKYUSA-CQSZACIVSA-N 0 0 465.536 -0.371 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)c1 ZINC001504320180 1068458888 /nfs/dbraw/zinc/45/88/88/1068458888.db2.gz NHHRMGVKIMNOOB-CABCVRRESA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001504320182 1068458700 /nfs/dbraw/zinc/45/87/00/1068458700.db2.gz NHHRMGVKIMNOOB-GJZGRUSLSA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)c1 ZINC001504320184 1068458854 /nfs/dbraw/zinc/45/88/54/1068458854.db2.gz NHHRMGVKIMNOOB-HUUCEWRRSA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001504320186 1068458824 /nfs/dbraw/zinc/45/88/24/1068458824.db2.gz NHHRMGVKIMNOOB-LSDHHAIUSA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)c1 ZINC001504321754 1068458861 /nfs/dbraw/zinc/45/88/61/1068458861.db2.gz INFLLZHIJONNOZ-INIZCTEOSA-N 0 0 476.559 -0.103 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)c1 ZINC001504321756 1068458813 /nfs/dbraw/zinc/45/88/13/1068458813.db2.gz INFLLZHIJONNOZ-MRXNPFEDSA-N 0 0 476.559 -0.103 20 0 JBADRN COc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001504342892 1068458779 /nfs/dbraw/zinc/45/87/79/1068458779.db2.gz CIEGUFUXBQCZFI-GOSISDBHSA-N 0 0 456.546 -0.262 20 0 JBADRN COc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001504342895 1068458829 /nfs/dbraw/zinc/45/88/29/1068458829.db2.gz CIEGUFUXBQCZFI-SFHVURJKSA-N 0 0 456.546 -0.262 20 0 JBADRN COc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)c1 ZINC001504362111 1068458906 /nfs/dbraw/zinc/45/89/06/1068458906.db2.gz HSXBBZJVKHDQSI-INIZCTEOSA-N 0 0 450.521 -0.396 20 0 JBADRN COc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)c1 ZINC001504362112 1068458875 /nfs/dbraw/zinc/45/88/75/1068458875.db2.gz HSXBBZJVKHDQSI-MRXNPFEDSA-N 0 0 450.521 -0.396 20 0 JBADRN COc1ccccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001504373191 1068458851 /nfs/dbraw/zinc/45/88/51/1068458851.db2.gz FWBKBJHXQDYKBK-NRFANRHFSA-N 0 0 479.559 -0.202 20 0 JBADRN COc1ccccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001504373192 1068458895 /nfs/dbraw/zinc/45/88/95/1068458895.db2.gz FWBKBJHXQDYKBK-OAQYLSRUSA-N 0 0 479.559 -0.202 20 0 JBADRN COc1ccccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1CC(=O)N1CCOCC1 ZINC001504376946 1068458683 /nfs/dbraw/zinc/45/86/83/1068458683.db2.gz OLAQCOAHGIRQMA-UHFFFAOYSA-N 0 0 452.537 -0.202 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001504386736 1068458835 /nfs/dbraw/zinc/45/88/35/1068458835.db2.gz BPFVUHDNMDZAGU-MGPUTAFESA-N 0 0 499.615 -0.027 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001504386737 1068458713 /nfs/dbraw/zinc/45/87/13/1068458713.db2.gz BPFVUHDNMDZAGU-YWZLYKJASA-N 0 0 499.615 -0.027 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC(=O)N1CCOCC1 ZINC001504388154 1068458742 /nfs/dbraw/zinc/45/87/42/1068458742.db2.gz OIRYJSAVYWAOLI-UHFFFAOYSA-N 0 0 499.572 -0.014 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001504391480 1068458867 /nfs/dbraw/zinc/45/88/67/1068458867.db2.gz YOJFVYZMCYPYRH-JOCHJYFZSA-N 0 0 492.602 -0.287 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001504391483 1068458909 /nfs/dbraw/zinc/45/89/09/1068458909.db2.gz YOJFVYZMCYPYRH-QFIPXVFZSA-N 0 0 492.602 -0.287 20 0 JBADRN COc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001504409922 1068458603 /nfs/dbraw/zinc/45/86/03/1068458603.db2.gz IBIPLTMNQKCKIZ-FQEVSTJZSA-N 0 0 499.615 -0.491 20 0 JBADRN COc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001504409923 1068459426 /nfs/dbraw/zinc/45/94/26/1068459426.db2.gz IBIPLTMNQKCKIZ-HXUWFJFHSA-N 0 0 499.615 -0.491 20 0 JBADRN COc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001504410323 1068459592 /nfs/dbraw/zinc/45/95/92/1068459592.db2.gz KEWOVFPAYAQQGR-INIZCTEOSA-N 0 0 491.574 -0.053 20 0 JBADRN COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001504425641 1068459496 /nfs/dbraw/zinc/45/94/96/1068459496.db2.gz SLFDSAHQFDXMBS-UHFFFAOYSA-N 0 0 499.572 -0.019 20 0 JBADRN COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 ZINC001504453666 1068459560 /nfs/dbraw/zinc/45/95/60/1068459560.db2.gz KJBAXEBXEUBEPL-GDBMZVCRSA-N 0 0 451.553 -0.139 20 0 JBADRN COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 ZINC001504453668 1068459663 /nfs/dbraw/zinc/45/96/63/1068459663.db2.gz KJBAXEBXEUBEPL-GOEBONIOSA-N 0 0 451.553 -0.139 20 0 JBADRN COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001504453670 1068459451 /nfs/dbraw/zinc/45/94/51/1068459451.db2.gz KJBAXEBXEUBEPL-HOCLYGCPSA-N 0 0 451.553 -0.139 20 0 JBADRN COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001504453672 1068459598 /nfs/dbraw/zinc/45/95/98/1068459598.db2.gz KJBAXEBXEUBEPL-ZBFHGGJFSA-N 0 0 451.553 -0.139 20 0 JBADRN COc1ccnc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)n1 ZINC001504454723 1068459658 /nfs/dbraw/zinc/45/96/58/1068459658.db2.gz YYDNUZSTHVKMFU-GFCCVEGCSA-N 0 0 465.465 -0.264 20 0 JBADRN COc1ccnc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)n1 ZINC001504454724 1068459649 /nfs/dbraw/zinc/45/96/49/1068459649.db2.gz YYDNUZSTHVKMFU-LBPRGKRZSA-N 0 0 465.465 -0.264 20 0 JBADRN COc1ccncc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504457227 1068459517 /nfs/dbraw/zinc/45/95/17/1068459517.db2.gz JZWCKRJTYJIGME-INIZCTEOSA-N 0 0 470.534 -0.146 20 0 JBADRN COc1ccncc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504457228 1068459623 /nfs/dbraw/zinc/45/96/23/1068459623.db2.gz JZWCKRJTYJIGME-MRXNPFEDSA-N 0 0 470.534 -0.146 20 0 JBADRN COc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001504460615 1068459439 /nfs/dbraw/zinc/45/94/39/1068459439.db2.gz GJCMEDMNZYQRFK-GDBMZVCRSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001504460616 1068459538 /nfs/dbraw/zinc/45/95/38/1068459538.db2.gz GJCMEDMNZYQRFK-GOEBONIOSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001504460617 1068459639 /nfs/dbraw/zinc/45/96/39/1068459639.db2.gz GJCMEDMNZYQRFK-HOCLYGCPSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001504460618 1068459321 /nfs/dbraw/zinc/45/93/21/1068459321.db2.gz GJCMEDMNZYQRFK-ZBFHGGJFSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001504460750 1068459359 /nfs/dbraw/zinc/45/93/59/1068459359.db2.gz VZTKYXHRVIJHDW-PBHICJAKSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001504460751 1068460211 /nfs/dbraw/zinc/46/02/11/1068460211.db2.gz VZTKYXHRVIJHDW-RHSMWYFYSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001504460753 1068460336 /nfs/dbraw/zinc/46/03/36/1068460336.db2.gz VZTKYXHRVIJHDW-WMLDXEAASA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001504460754 1068460376 /nfs/dbraw/zinc/46/03/76/1068460376.db2.gz VZTKYXHRVIJHDW-YOEHRIQHSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001504461663 1068460175 /nfs/dbraw/zinc/46/01/75/1068460175.db2.gz YAOKJXLZFDECGT-INIZCTEOSA-N 0 0 477.591 -0.158 20 0 JBADRN COc1ccncc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001504461667 1068460267 /nfs/dbraw/zinc/46/02/67/1068460267.db2.gz YAOKJXLZFDECGT-MRXNPFEDSA-N 0 0 477.591 -0.158 20 0 JBADRN CO[C@@H]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001504474705 1068460369 /nfs/dbraw/zinc/46/03/69/1068460369.db2.gz MDQZHFARYNHOHK-ARFHVFGLSA-N 0 0 477.609 -0.339 20 0 JBADRN CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001504474706 1068460324 /nfs/dbraw/zinc/46/03/24/1068460324.db2.gz MDQZHFARYNHOHK-BZUAXINKSA-N 0 0 477.609 -0.339 20 0 JBADRN CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001504474707 1068460195 /nfs/dbraw/zinc/46/01/95/1068460195.db2.gz MDQZHFARYNHOHK-OAGGEKHMSA-N 0 0 477.609 -0.339 20 0 JBADRN CO[C@@H]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001504474708 1068460350 /nfs/dbraw/zinc/46/03/50/1068460350.db2.gz MDQZHFARYNHOHK-XHSDSOJGSA-N 0 0 477.609 -0.339 20 0 JBADRN 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CO[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)NC(C)C)C1 ZINC001504487950 1068460986 /nfs/dbraw/zinc/46/09/86/1068460986.db2.gz IIVPVZJWTMOAJT-JKSUJKDBSA-N 0 0 494.640 -0.446 20 0 JBADRN CO[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001504490524 1068460872 /nfs/dbraw/zinc/46/08/72/1068460872.db2.gz ZUUNZYNZLKIECL-MWDXBVQZSA-N 0 0 459.569 -0.234 20 0 JBADRN CO[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001504490525 1068460962 /nfs/dbraw/zinc/46/09/62/1068460962.db2.gz ZUUNZYNZLKIECL-NXOAAHMSSA-N 0 0 459.569 -0.234 20 0 JBADRN CO[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001504490526 1068461024 /nfs/dbraw/zinc/46/10/24/1068461024.db2.gz ZUUNZYNZLKIECL-TWMKSMIVSA-N 0 0 459.569 -0.234 20 0 JBADRN CO[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001504490527 1068460919 /nfs/dbraw/zinc/46/09/19/1068460919.db2.gz ZUUNZYNZLKIECL-YYIAUSFCSA-N 0 0 459.569 -0.234 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(=O)N2)CC[C@H]1C ZINC001504510614 1068460952 /nfs/dbraw/zinc/46/09/52/1068460952.db2.gz LVHQERPLHLDSJX-FPCVCCKLSA-N 0 0 456.569 -0.249 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(=O)N2)CC[C@@H]1C ZINC001504510616 1068460927 /nfs/dbraw/zinc/46/09/27/1068460927.db2.gz LVHQERPLHLDSJX-JJXSEGSLSA-N 0 0 456.569 -0.249 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(=O)N2)CC[C@H]1C ZINC001504510618 1068460886 /nfs/dbraw/zinc/46/08/86/1068460886.db2.gz LVHQERPLHLDSJX-KLHDSHLOSA-N 0 0 456.569 -0.249 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(=O)N2)CC[C@@H]1C ZINC001504510620 1068460895 /nfs/dbraw/zinc/46/08/95/1068460895.db2.gz LVHQERPLHLDSJX-ZJIFWQFVSA-N 0 0 456.569 -0.249 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC[C@H]1C ZINC001504512604 1068461035 /nfs/dbraw/zinc/46/10/35/1068461035.db2.gz WPLBPYINLFCSQZ-DJIMGWMZSA-N 0 0 458.585 -0.002 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC[C@H]1C ZINC001504512605 1068460904 /nfs/dbraw/zinc/46/09/04/1068460904.db2.gz WPLBPYINLFCSQZ-OIISXLGYSA-N 0 0 458.585 -0.002 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC[C@@H]1C ZINC001504512606 1068460828 /nfs/dbraw/zinc/46/08/28/1068460828.db2.gz WPLBPYINLFCSQZ-UAGQMJEPSA-N 0 0 458.585 -0.002 20 0 JBADRN CO[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC[C@@H]1C ZINC001504512607 1068460971 /nfs/dbraw/zinc/46/09/71/1068460971.db2.gz WPLBPYINLFCSQZ-USXIJHARSA-N 0 0 458.585 -0.002 20 0 JBADRN CO[C@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001504516307 1068460854 /nfs/dbraw/zinc/46/08/54/1068460854.db2.gz HFUALNUYLPRONS-CVEARBPZSA-N 0 0 458.585 -0.061 20 0 JBADRN CO[C@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001504516308 1068460979 /nfs/dbraw/zinc/46/09/79/1068460979.db2.gz HFUALNUYLPRONS-HOTGVXAUSA-N 0 0 458.585 -0.061 20 0 JBADRN CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001504516309 1068460935 /nfs/dbraw/zinc/46/09/35/1068460935.db2.gz HFUALNUYLPRONS-HZPDHXFCSA-N 0 0 458.585 -0.061 20 0 JBADRN CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001504516310 1068461862 /nfs/dbraw/zinc/46/18/62/1068461862.db2.gz HFUALNUYLPRONS-JKSUJKDBSA-N 0 0 458.585 -0.061 20 0 JBADRN CO[C@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504518281 1068461895 /nfs/dbraw/zinc/46/18/95/1068461895.db2.gz QQYJYHVBXDEIAH-MSOLQXFVSA-N 0 0 491.593 -0.261 20 0 JBADRN CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504518287 1068461834 /nfs/dbraw/zinc/46/18/34/1068461834.db2.gz QQYJYHVBXDEIAH-QZTJIDSGSA-N 0 0 491.593 -0.261 20 0 JBADRN CO[C@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504518289 1068461709 /nfs/dbraw/zinc/46/17/09/1068461709.db2.gz QQYJYHVBXDEIAH-ROUUACIJSA-N 0 0 491.593 -0.261 20 0 JBADRN CO[C@@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504518291 1068461874 /nfs/dbraw/zinc/46/18/74/1068461874.db2.gz QQYJYHVBXDEIAH-ZWKOTPCHSA-N 0 0 491.593 -0.261 20 0 JBADRN CO[C@@H]1COCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 ZINC001504520925 1068461684 /nfs/dbraw/zinc/46/16/84/1068461684.db2.gz FZCIVKOPTVEPSK-QBPKDAKJSA-N 0 0 458.585 -0.539 20 0 JBADRN CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001504520926 1068461793 /nfs/dbraw/zinc/46/17/93/1068461793.db2.gz FZCIVKOPTVEPSK-VVLHAWIVSA-N 0 0 458.585 -0.539 20 0 JBADRN CO[C@@H]1COCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001504520927 1068461909 /nfs/dbraw/zinc/46/19/09/1068461909.db2.gz FZCIVKOPTVEPSK-WCXIOVBPSA-N 0 0 458.585 -0.539 20 0 JBADRN CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 ZINC001504520928 1068461756 /nfs/dbraw/zinc/46/17/56/1068461756.db2.gz FZCIVKOPTVEPSK-YLFCFFPRSA-N 0 0 458.585 -0.539 20 0 JBADRN CO[C@H]1COCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504525386 1068461852 /nfs/dbraw/zinc/46/18/52/1068461852.db2.gz TZYAXOYYHLFSIN-AEFFLSMTSA-N 0 0 472.550 -0.040 20 0 JBADRN CO[C@@H]1COCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504525388 1068461923 /nfs/dbraw/zinc/46/19/23/1068461923.db2.gz TZYAXOYYHLFSIN-FUHWJXTLSA-N 0 0 472.550 -0.040 20 0 JBADRN CO[C@@H]1COCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504525390 1068461815 /nfs/dbraw/zinc/46/18/15/1068461815.db2.gz TZYAXOYYHLFSIN-SJLPKXTDSA-N 0 0 472.550 -0.040 20 0 JBADRN CO[C@H]1COCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504525393 1068461741 /nfs/dbraw/zinc/46/17/41/1068461741.db2.gz TZYAXOYYHLFSIN-WMZOPIPTSA-N 0 0 472.550 -0.040 20 0 JBADRN COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001504525948 1068461777 /nfs/dbraw/zinc/46/17/77/1068461777.db2.gz ANPYBKOZWMSZRT-UHFFFAOYSA-N 0 0 456.569 -0.464 20 0 JBADRN 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(N)=O)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001505069969 1068505938 /nfs/dbraw/zinc/50/59/38/1068505938.db2.gz POFJIIGAMYAPDF-XIRDDKMYSA-N 0 0 470.596 -0.015 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCCNS(C)(=O)=O ZINC001505070461 1068506057 /nfs/dbraw/zinc/50/60/57/1068506057.db2.gz DJKXLNWSHFSWJL-BXWFABGCSA-N 0 0 491.636 -0.044 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CCCNS(C)(=O)=O ZINC001505070462 1068506116 /nfs/dbraw/zinc/50/61/16/1068506116.db2.gz DJKXLNWSHFSWJL-TXPKVOOTSA-N 0 0 491.636 -0.044 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H]1COCCO1 ZINC001505071660 1068505996 /nfs/dbraw/zinc/50/59/96/1068505996.db2.gz MJNGCQMSWZPEBY-XIRDDKMYSA-N 0 0 459.569 -0.065 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001505072612 1068506025 /nfs/dbraw/zinc/50/60/25/1068506025.db2.gz SEWSZLARKVXFHE-NXOAAHMSSA-N 0 0 491.636 -0.093 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001505072614 1068505868 /nfs/dbraw/zinc/50/58/68/1068505868.db2.gz SEWSZLARKVXFHE-QAETUUGQSA-N 0 0 491.636 -0.093 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001505072617 1068505952 /nfs/dbraw/zinc/50/59/52/1068505952.db2.gz SEWSZLARKVXFHE-QZWWFDLISA-N 0 0 491.636 -0.093 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001505072620 1068506017 /nfs/dbraw/zinc/50/60/17/1068506017.db2.gz SEWSZLARKVXFHE-TWMKSMIVSA-N 0 0 491.636 -0.093 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001505073479 1068505925 /nfs/dbraw/zinc/50/59/25/1068505925.db2.gz MXRULHRSBWMRKC-NCOADZHNSA-N 0 0 470.596 -0.015 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001505073484 1068505907 /nfs/dbraw/zinc/50/59/07/1068505907.db2.gz MXRULHRSBWMRKC-QAETUUGQSA-N 0 0 470.596 -0.015 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001505073487 1068505983 /nfs/dbraw/zinc/50/59/83/1068505983.db2.gz MXRULHRSBWMRKC-QZWWFDLISA-N 0 0 470.596 -0.015 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001505073490 1068505887 /nfs/dbraw/zinc/50/58/87/1068505887.db2.gz MXRULHRSBWMRKC-YVSFHVDLSA-N 0 0 470.596 -0.015 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCNS(C)(=O)=O ZINC001505079291 1068506086 /nfs/dbraw/zinc/50/60/86/1068506086.db2.gz XNPHHUWQBBUBKJ-GJZGRUSLSA-N 0 0 480.613 -0.977 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@]1(OC)CCOC1 ZINC001505079432 1068506624 /nfs/dbraw/zinc/50/66/24/1068506624.db2.gz BZSBAMCAGHUUHN-BSRJHKFKSA-N 0 0 494.593 -0.019 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@]1(OC)CCOC1 ZINC001505079433 1068506476 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CC(C)NC(=O)c1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001509621671 1068579919 /nfs/dbraw/zinc/57/99/19/1068579919.db2.gz STQUYKJHRBOCKR-TWOQFEAHSA-N 0 0 470.596 -0.877 20 0 JBADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001509621678 1068579811 /nfs/dbraw/zinc/57/98/11/1068579811.db2.gz STQUYKJHRBOCKR-YRNRMSPPSA-N 0 0 470.596 -0.877 20 0 JBADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCOCCS(C)(=O)=O ZINC001509621862 1068579513 /nfs/dbraw/zinc/57/95/13/1068579513.db2.gz UFJAVPVQTMWFDG-DLBZAZTESA-N 0 0 472.612 -0.366 20 0 JBADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1CCOCCS(C)(=O)=O ZINC001509621867 1068579882 /nfs/dbraw/zinc/57/98/82/1068579882.db2.gz UFJAVPVQTMWFDG-IAGOWNOFSA-N 0 0 472.612 -0.366 20 0 JBADRN CC(C)NC(=O)c1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CCOCCS(C)(=O)=O ZINC001509621873 1068579929 /nfs/dbraw/zinc/57/99/29/1068579929.db2.gz UFJAVPVQTMWFDG-IRXDYDNUSA-N 0 0 472.612 -0.366 20 0 JBADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1CCOCCS(C)(=O)=O ZINC001509621878 1068579703 /nfs/dbraw/zinc/57/97/03/1068579703.db2.gz UFJAVPVQTMWFDG-SJORKVTESA-N 0 0 472.612 -0.366 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCS(=O)(=O)N(C)C ZINC001509622023 1068579595 /nfs/dbraw/zinc/57/95/95/1068579595.db2.gz RKWYAVWZAXLTAS-UHFFFAOYSA-N 0 0 485.611 -0.617 20 0 JBADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001509623407 1068579564 /nfs/dbraw/zinc/57/95/64/1068579564.db2.gz WZOXCNIZNHUYFY-DOTOQJQBSA-N 0 0 459.555 -0.274 20 0 JBADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001509623411 1068579863 /nfs/dbraw/zinc/57/98/63/1068579863.db2.gz WZOXCNIZNHUYFY-NVXWUHKLSA-N 0 0 459.555 -0.274 20 0 JBADRN CC(C)NC(=O)c1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001509623415 1068579825 /nfs/dbraw/zinc/57/98/25/1068579825.db2.gz WZOXCNIZNHUYFY-RDJZCZTQSA-N 0 0 459.555 -0.274 20 0 JBADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001509623419 1068579613 /nfs/dbraw/zinc/57/96/13/1068579613.db2.gz WZOXCNIZNHUYFY-WBVHZDCISA-N 0 0 459.555 -0.274 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CCCN1CCOCC1 ZINC001509628678 1068579738 /nfs/dbraw/zinc/57/97/38/1068579738.db2.gz FMOUJFZHVOGLOJ-JOCHJYFZSA-N 0 0 476.582 -0.047 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCCN1CCOCC1 ZINC001509628680 1068579769 /nfs/dbraw/zinc/57/97/69/1068579769.db2.gz FMOUJFZHVOGLOJ-QFIPXVFZSA-N 0 0 476.582 -0.047 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1C[C@H](C)N1CCOCC1 ZINC001509636050 1068580134 /nfs/dbraw/zinc/58/01/34/1068580134.db2.gz RFQKOBBNEACCTL-DOTOQJQBSA-N 0 0 476.582 -0.096 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001509636051 1068580314 /nfs/dbraw/zinc/58/03/14/1068580314.db2.gz RFQKOBBNEACCTL-NVXWUHKLSA-N 0 0 476.582 -0.096 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@H](C)N1CCOCC1 ZINC001509636052 1068580456 /nfs/dbraw/zinc/58/04/56/1068580456.db2.gz RFQKOBBNEACCTL-RDJZCZTQSA-N 0 0 476.582 -0.096 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001509636053 1068580196 /nfs/dbraw/zinc/58/01/96/1068580196.db2.gz RFQKOBBNEACCTL-WBVHZDCISA-N 0 0 476.582 -0.096 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC(=O)N(C)C ZINC001509636284 1068580374 /nfs/dbraw/zinc/58/03/74/1068580374.db2.gz SHYBFMBFRUUQCQ-UHFFFAOYSA-N 0 0 459.555 -0.116 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1nnc2n1CCC2 ZINC001509636862 1068580154 /nfs/dbraw/zinc/58/01/54/1068580154.db2.gz WHZHITIZNSCMDY-UHFFFAOYSA-N 0 0 465.584 -0.232 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC(=O)NCC(F)(F)F ZINC001509637163 1068580390 /nfs/dbraw/zinc/58/03/90/1068580390.db2.gz FAEQDPNVCXSOES-UHFFFAOYSA-N 0 0 483.517 -0.045 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001509637290 1068580294 /nfs/dbraw/zinc/58/02/94/1068580294.db2.gz GBRHZYYMXICIDP-JKSUJKDBSA-N 0 0 458.585 -0.184 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001509637760 1068580249 /nfs/dbraw/zinc/58/02/49/1068580249.db2.gz IPYNURNOWBIQIR-FQEVSTJZSA-N 0 0 468.580 -0.443 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001509637761 1068580404 /nfs/dbraw/zinc/58/04/04/1068580404.db2.gz IPYNURNOWBIQIR-HXUWFJFHSA-N 0 0 468.580 -0.443 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC(=O)N1CCOCC1 ZINC001509645661 1068580418 /nfs/dbraw/zinc/58/04/18/1068580418.db2.gz WTNIUXGDYPXCDQ-UHFFFAOYSA-N 0 0 471.584 -0.817 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1nnc2n1CCC2 ZINC001509655169 1068580443 /nfs/dbraw/zinc/58/04/43/1068580443.db2.gz DDVLXYFFGIRQLQ-AWEZNQCLSA-N 0 0 465.584 -0.232 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1nnc2n1CCC2 ZINC001509655171 1068580270 /nfs/dbraw/zinc/58/02/70/1068580270.db2.gz DDVLXYFFGIRQLQ-CQSZACIVSA-N 0 0 465.584 -0.232 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CCn1cncn1 ZINC001509655713 1068580212 /nfs/dbraw/zinc/58/02/12/1068580212.db2.gz DVSCPSUNWNMFGT-HNNXBMFYSA-N 0 0 453.573 -0.184 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CCn1cncn1 ZINC001509655716 1068580331 /nfs/dbraw/zinc/58/03/31/1068580331.db2.gz DVSCPSUNWNMFGT-OAHLLOKOSA-N 0 0 453.573 -0.184 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC(=O)NCC(F)(F)F ZINC001509657562 1068580348 /nfs/dbraw/zinc/58/03/48/1068580348.db2.gz OQZLQOCFLQONJD-UHFFFAOYSA-N 0 0 456.429 -0.249 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCN1CCCS1(=O)=O ZINC001509659663 1068580470 /nfs/dbraw/zinc/58/04/70/1068580470.db2.gz FSMFFVMWTYAXBJ-AWEZNQCLSA-N 0 0 462.598 -0.535 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCN1CCCS1(=O)=O ZINC001509659665 1068580902 /nfs/dbraw/zinc/58/09/02/1068580902.db2.gz FSMFFVMWTYAXBJ-CQSZACIVSA-N 0 0 462.598 -0.535 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1CCNC(=O)C(C)C ZINC001509660969 1068580829 /nfs/dbraw/zinc/58/08/29/1068580829.db2.gz ISAGQZTYKKQNCF-KRWDZBQOSA-N 0 0 499.638 -0.181 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CCNC(=O)C(C)C ZINC001509660973 1068580857 /nfs/dbraw/zinc/58/08/57/1068580857.db2.gz ISAGQZTYKKQNCF-QGZVFWFLSA-N 0 0 499.638 -0.181 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCS(=O)(=O)N(C)C ZINC001509664713 1068581042 /nfs/dbraw/zinc/58/10/42/1068581042.db2.gz GKRGLLSCJSEZKE-AWEZNQCLSA-N 0 0 464.614 -0.289 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCS(=O)(=O)N(C)C ZINC001509664716 1068580966 /nfs/dbraw/zinc/58/09/66/1068580966.db2.gz GKRGLLSCJSEZKE-CQSZACIVSA-N 0 0 464.614 -0.289 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCN1CCCS1(=O)=O ZINC001509665900 1068580885 /nfs/dbraw/zinc/58/08/85/1068580885.db2.gz OBINYEWOEOXYRL-UHFFFAOYSA-N 0 0 467.596 -0.100 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCN1CCCS1(=O)=O ZINC001509667340 1068581076 /nfs/dbraw/zinc/58/10/76/1068581076.db2.gz UGMVWFWECJDGEF-HNNXBMFYSA-N 0 0 476.625 -0.145 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCN1CCCS1(=O)=O ZINC001509667341 1068580814 /nfs/dbraw/zinc/58/08/14/1068580814.db2.gz UGMVWFWECJDGEF-OAHLLOKOSA-N 0 0 476.625 -0.145 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001509668809 1068581034 /nfs/dbraw/zinc/58/10/34/1068581034.db2.gz BGWPIJOWJVITSG-HNNXBMFYSA-N 0 0 476.625 -0.145 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001509668818 1068580870 /nfs/dbraw/zinc/58/08/70/1068580870.db2.gz BGWPIJOWJVITSG-OAHLLOKOSA-N 0 0 476.625 -0.145 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCn1cncn1 ZINC001509668823 1068580756 /nfs/dbraw/zinc/58/07/56/1068580756.db2.gz BHMBPYAOVBVHME-UHFFFAOYSA-N 0 0 458.571 -0.158 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)N1CCOCC1 ZINC001509670435 1068581283 /nfs/dbraw/zinc/58/12/83/1068581283.db2.gz JTXKJLAADJYTNN-UHFFFAOYSA-N 0 0 471.628 -0.001 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001509671141 1068581546 /nfs/dbraw/zinc/58/15/46/1068581546.db2.gz MLDPQSZYZHTRRE-AWEZNQCLSA-N 0 0 462.598 -0.677 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001509671142 1068581570 /nfs/dbraw/zinc/58/15/70/1068581570.db2.gz MLDPQSZYZHTRRE-CQSZACIVSA-N 0 0 462.598 -0.677 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCCc1cnn(C)n1 ZINC001509671906 1068581321 /nfs/dbraw/zinc/58/13/21/1068581321.db2.gz QNGNNSIRAORGFQ-UHFFFAOYSA-N 0 0 453.573 -0.351 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCCN1CCOC1=O 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Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)no1 ZINC001510636587 1068633351 /nfs/dbraw/zinc/63/33/51/1068633351.db2.gz FKNYOSMTPHGAJE-UHFFFAOYSA-N 0 0 474.522 -0.732 20 0 JBADRN Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)no1 ZINC001510638009 1068633341 /nfs/dbraw/zinc/63/33/41/1068633341.db2.gz LOGULBNYDMCWMG-UHFFFAOYSA-N 0 0 460.539 -0.258 20 0 JBADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1F ZINC001510640529 1068633229 /nfs/dbraw/zinc/63/32/29/1068633229.db2.gz OVYCKUPUFZLBMV-DZGCQCFKSA-N 0 0 479.538 -0.469 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1F ZINC001510640534 1068633276 /nfs/dbraw/zinc/63/32/76/1068633276.db2.gz OVYCKUPUFZLBMV-HIFRSBDPSA-N 0 0 479.538 -0.469 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1F ZINC001510640539 1068633284 /nfs/dbraw/zinc/63/32/84/1068633284.db2.gz OVYCKUPUFZLBMV-UKRRQHHQSA-N 0 0 479.538 -0.469 20 0 JBADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1F ZINC001510640544 1068633295 /nfs/dbraw/zinc/63/32/95/1068633295.db2.gz OVYCKUPUFZLBMV-ZFWWWQNUSA-N 0 0 479.538 -0.469 20 0 JBADRN Cc1cc(NC(=O)CN2CCN(c3nnc(C)n3C[C@H]3CCN(S(C)(=O)=O)C3)CC2)no1 ZINC001510679283 1068633977 /nfs/dbraw/zinc/63/39/77/1068633977.db2.gz HHJSBPCWDWGLNM-INIZCTEOSA-N 0 0 466.568 -0.075 20 0 JBADRN Cc1cc(NC(=O)CN2CCN(c3nnc(C)n3C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)no1 ZINC001510679292 1068633860 /nfs/dbraw/zinc/63/38/60/1068633860.db2.gz HHJSBPCWDWGLNM-MRXNPFEDSA-N 0 0 466.568 -0.075 20 0 JBADRN Cc1cc(CN2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@]3(C)CN(C)C3=O)CC2)no1 ZINC001510683019 1068633888 /nfs/dbraw/zinc/63/38/88/1068633888.db2.gz BQRRRLXEULQCRK-FOIQADDNSA-N 0 0 480.595 -0.015 20 0 JBADRN Cc1cc(CN2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@]3(C)CN(C)C3=O)CC2)no1 ZINC001510683027 1068633951 /nfs/dbraw/zinc/63/39/51/1068633951.db2.gz BQRRRLXEULQCRK-MGPUTAFESA-N 0 0 480.595 -0.015 20 0 JBADRN Cc1cc(CN2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(C)CN(C)C3=O)CC2)no1 ZINC001510683030 1068633928 /nfs/dbraw/zinc/63/39/28/1068633928.db2.gz BQRRRLXEULQCRK-QRWLVFNGSA-N 0 0 480.595 -0.015 20 0 JBADRN Cc1cc(CN2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@]3(C)CN(C)C3=O)CC2)no1 ZINC001510683033 1068633972 /nfs/dbraw/zinc/63/39/72/1068633972.db2.gz BQRRRLXEULQCRK-YWZLYKJASA-N 0 0 480.595 -0.015 20 0 JBADRN Cc1cc(CN2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)no1 ZINC001510688540 1068633922 /nfs/dbraw/zinc/63/39/22/1068633922.db2.gz OGAQKHDIMNYVPS-AWEZNQCLSA-N 0 0 454.557 -0.405 20 0 JBADRN Cc1cc(CN2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)no1 ZINC001510688542 1068633914 /nfs/dbraw/zinc/63/39/14/1068633914.db2.gz OGAQKHDIMNYVPS-CQSZACIVSA-N 0 0 454.557 -0.405 20 0 JBADRN Cc1ccn2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCN(S(C)(=O)=O)CC3)nc2c1 ZINC001510693117 1068633899 /nfs/dbraw/zinc/63/38/99/1068633899.db2.gz SPRZYAFCQDRKAN-HNNXBMFYSA-N 0 0 496.619 -0.026 20 0 JBADRN Cc1ccn2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCN(S(C)(=O)=O)CC3)nc2c1 ZINC001510693123 1068633957 /nfs/dbraw/zinc/63/39/57/1068633957.db2.gz SPRZYAFCQDRKAN-OAHLLOKOSA-N 0 0 496.619 -0.026 20 0 JBADRN Cc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001510695841 1068633893 /nfs/dbraw/zinc/63/38/93/1068633893.db2.gz LMCVRWXNJZVVPR-UHFFFAOYSA-N 0 0 485.524 -0.069 20 0 JBADRN Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)n2CCS(=O)(=O)N(C)C)o1 ZINC001510813079 1068633963 /nfs/dbraw/zinc/63/39/63/1068633963.db2.gz BDCFVYUNIPLSTH-UHFFFAOYSA-N 0 0 495.606 -0.281 20 0 JBADRN Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 ZINC001510821146 1068633839 /nfs/dbraw/zinc/63/38/39/1068633839.db2.gz SHZZHDSDKGYPLJ-KRWDZBQOSA-N 0 0 459.550 -0.522 20 0 JBADRN Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)o1 ZINC001510821151 1068633909 /nfs/dbraw/zinc/63/39/09/1068633909.db2.gz SHZZHDSDKGYPLJ-QGZVFWFLSA-N 0 0 459.550 -0.522 20 0 JBADRN Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)o1 ZINC001510827671 1068633870 /nfs/dbraw/zinc/63/38/70/1068633870.db2.gz IFABKHKICGJXAA-LLVKDONJSA-N 0 0 455.397 -0.328 20 0 JBADRN Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC(=O)NCC(F)(F)F)o1 ZINC001510827711 1068633912 /nfs/dbraw/zinc/63/39/12/1068633912.db2.gz IFABKHKICGJXAA-NSHDSACASA-N 0 0 455.397 -0.328 20 0 JBADRN Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)c(=O)n1C ZINC001510862725 1068633903 /nfs/dbraw/zinc/63/39/03/1068633903.db2.gz MBIZAZNNSNDWFK-UHFFFAOYSA-N 0 0 470.578 -0.220 20 0 JBADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(S(C)(=O)=O)CC2)c(=O)n1C ZINC001510865783 1068633809 /nfs/dbraw/zinc/63/38/09/1068633809.db2.gz MBVHGGRBFFJCMX-UHFFFAOYSA-N 0 0 465.580 -0.057 20 0 JBADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cn1 ZINC001510867970 1068633932 /nfs/dbraw/zinc/63/39/32/1068633932.db2.gz TYBLMEDRNXRPJS-UHFFFAOYSA-N 0 0 484.561 -0.325 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(CCS(C)(=O)=O)C2CC2)c(=O)n1C ZINC001510869545 1068633941 /nfs/dbraw/zinc/63/39/41/1068633941.db2.gz BNBJPHAOUGHATG-AWEZNQCLSA-N 0 0 486.620 -0.043 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(CCS(C)(=O)=O)C2CC2)c(=O)n1C ZINC001510869548 1068634626 /nfs/dbraw/zinc/63/46/26/1068634626.db2.gz BNBJPHAOUGHATG-CQSZACIVSA-N 0 0 486.620 -0.043 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CCN2CCOCC2)c(=O)n1C ZINC001510869583 1068634592 /nfs/dbraw/zinc/63/45/92/1068634592.db2.gz BOVZJEQWZFRMKD-INIZCTEOSA-N 0 0 467.596 -0.288 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CCN2CCOCC2)c(=O)n1C ZINC001510869597 1068634612 /nfs/dbraw/zinc/63/46/12/1068634612.db2.gz BOVZJEQWZFRMKD-MRXNPFEDSA-N 0 0 467.596 -0.288 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)c(=O)n1C ZINC001510869598 1068634572 /nfs/dbraw/zinc/63/45/72/1068634572.db2.gz AIGYXRXTSMPVIN-FOIQADDNSA-N 0 0 466.564 -0.061 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)c(=O)n1C ZINC001510869616 1068634545 /nfs/dbraw/zinc/63/45/45/1068634545.db2.gz AIGYXRXTSMPVIN-MGPUTAFESA-N 0 0 466.564 -0.061 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)c(=O)n1C ZINC001510869623 1068634569 /nfs/dbraw/zinc/63/45/69/1068634569.db2.gz AIGYXRXTSMPVIN-QRWLVFNGSA-N 0 0 466.564 -0.061 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)c(=O)n1C ZINC001510869630 1068634575 /nfs/dbraw/zinc/63/45/75/1068634575.db2.gz AIGYXRXTSMPVIN-YWZLYKJASA-N 0 0 466.564 -0.061 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)c(=O)n1C ZINC001510870235 1068634623 /nfs/dbraw/zinc/63/46/23/1068634623.db2.gz FGZRPJGGSMCOHK-KBPBESRZSA-N 0 0 451.553 -0.389 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)c(=O)n1C ZINC001510870253 1068634517 /nfs/dbraw/zinc/63/45/17/1068634517.db2.gz FGZRPJGGSMCOHK-KGLIPLIRSA-N 0 0 451.553 -0.389 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)c(=O)n1C ZINC001510870258 1068634608 /nfs/dbraw/zinc/63/46/08/1068634608.db2.gz FGZRPJGGSMCOHK-UONOGXRCSA-N 0 0 451.553 -0.389 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)c(=O)n1C ZINC001510870260 1068634618 /nfs/dbraw/zinc/63/46/18/1068634618.db2.gz FGZRPJGGSMCOHK-ZIAGYGMSSA-N 0 0 451.553 -0.389 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)NC(C)C)CC2)c(=O)n1C ZINC001510878600 1068634621 /nfs/dbraw/zinc/63/46/21/1068634621.db2.gz CLKLTMPHCGIFFI-GOSISDBHSA-N 0 0 470.578 -0.069 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)NC(C)C)CC2)c(=O)n1C ZINC001510878603 1068634581 /nfs/dbraw/zinc/63/45/81/1068634581.db2.gz CLKLTMPHCGIFFI-SFHVURJKSA-N 0 0 470.578 -0.069 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)c(=O)n1C ZINC001510889247 1068634589 /nfs/dbraw/zinc/63/45/89/1068634589.db2.gz PGTPVEIQGWWPOZ-KRWDZBQOSA-N 0 0 478.575 -0.469 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)c(=O)n1C ZINC001510889251 1068634527 /nfs/dbraw/zinc/63/45/27/1068634527.db2.gz PGTPVEIQGWWPOZ-QGZVFWFLSA-N 0 0 478.575 -0.469 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)c(=O)n1C ZINC001510893722 1068634563 /nfs/dbraw/zinc/63/45/63/1068634563.db2.gz PGITZBRRRMCDMI-DOTOQJQBSA-N 0 0 466.564 -0.108 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)c(=O)n1C ZINC001510893757 1068634599 /nfs/dbraw/zinc/63/45/99/1068634599.db2.gz PGITZBRRRMCDMI-NVXWUHKLSA-N 0 0 466.564 -0.108 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)c(=O)n1C ZINC001510893762 1068634606 /nfs/dbraw/zinc/63/46/06/1068634606.db2.gz PGITZBRRRMCDMI-RDJZCZTQSA-N 0 0 466.564 -0.108 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)c(=O)n1C ZINC001510893768 1068634601 /nfs/dbraw/zinc/63/46/01/1068634601.db2.gz PGITZBRRRMCDMI-WBVHZDCISA-N 0 0 466.564 -0.108 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)c(=O)n1C ZINC001510898317 1068634555 /nfs/dbraw/zinc/63/45/55/1068634555.db2.gz ZQBSUEXXZQONHB-GOSISDBHSA-N 0 0 480.591 -0.125 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)c(=O)n1C ZINC001510898318 1068635263 /nfs/dbraw/zinc/63/52/63/1068635263.db2.gz ZQBSUEXXZQONHB-SFHVURJKSA-N 0 0 480.591 -0.125 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCS(C)(=O)=O)cc1C ZINC001511003244 1068635211 /nfs/dbraw/zinc/63/52/11/1068635211.db2.gz MDPYVVVUIMEYCE-INIZCTEOSA-N 0 0 476.559 -0.334 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCS(C)(=O)=O)cc1C ZINC001511003245 1068635323 /nfs/dbraw/zinc/63/53/23/1068635323.db2.gz MDPYVVVUIMEYCE-MRXNPFEDSA-N 0 0 476.559 -0.334 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCC(=O)N(C)C)cc1 ZINC001511005930 1068635164 /nfs/dbraw/zinc/63/51/64/1068635164.db2.gz RRZZIWBBBCEZGV-INIZCTEOSA-N 0 0 455.519 -0.209 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCC(=O)N(C)C)cc1 ZINC001511005965 1068635133 /nfs/dbraw/zinc/63/51/33/1068635133.db2.gz RRZZIWBBBCEZGV-MRXNPFEDSA-N 0 0 455.519 -0.209 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001511006927 1068634998 /nfs/dbraw/zinc/63/49/98/1068634998.db2.gz VFYUXBKHMUZQHB-AWEZNQCLSA-N 0 0 495.462 -0.009 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001511006929 1068635250 /nfs/dbraw/zinc/63/52/50/1068635250.db2.gz VFYUXBKHMUZQHB-CQSZACIVSA-N 0 0 495.462 -0.009 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCn2c(CC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)s1 ZINC001511031757 1068635224 /nfs/dbraw/zinc/63/52/24/1068635224.db2.gz IUTGJLMAHCMUGS-HNNXBMFYSA-N 0 0 495.631 -0.028 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCn2c(CC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 ZINC001511031759 1068635074 /nfs/dbraw/zinc/63/50/74/1068635074.db2.gz IUTGJLMAHCMUGS-OAHLLOKOSA-N 0 0 495.631 -0.028 20 0 JBADRN Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)s1 ZINC001511032315 1068635255 /nfs/dbraw/zinc/63/52/55/1068635255.db2.gz TYMKTYFXLDSSLG-UHFFFAOYSA-N 0 0 497.647 -0.084 20 0 JBADRN Cc1cccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)c1 ZINC001511055685 1068635046 /nfs/dbraw/zinc/63/50/46/1068635046.db2.gz QWJCFRXXSMRZHT-HNNXBMFYSA-N 0 0 463.564 -0.095 20 0 JBADRN Cc1cccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)c1 ZINC001511055686 1068635170 /nfs/dbraw/zinc/63/51/70/1068635170.db2.gz QWJCFRXXSMRZHT-OAHLLOKOSA-N 0 0 463.564 -0.095 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001511123062 1068635332 /nfs/dbraw/zinc/63/53/32/1068635332.db2.gz FCVYJIPAIIHOHD-UHFFFAOYSA-N 0 0 492.606 -0.821 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2Cc2ncn(C)n2)n1 ZINC001511126945 1068635179 /nfs/dbraw/zinc/63/51/79/1068635179.db2.gz UOXFHCPWXSGCLR-UHFFFAOYSA-N 0 0 452.523 -0.001 20 0 JBADRN Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)n1 ZINC001511156817 1068635105 /nfs/dbraw/zinc/63/51/05/1068635105.db2.gz RJSVDSDVCLGAAB-KRWDZBQOSA-N 0 0 454.535 -0.100 20 0 JBADRN Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 ZINC001511156819 1068635235 /nfs/dbraw/zinc/63/52/35/1068635235.db2.gz RJSVDSDVCLGAAB-QGZVFWFLSA-N 0 0 454.535 -0.100 20 0 JBADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(S(C)(=O)=O)CC2)n1 ZINC001511162169 1068635277 /nfs/dbraw/zinc/63/52/77/1068635277.db2.gz QEVCDFOIMJCIIU-HNNXBMFYSA-N 0 0 471.609 -0.084 20 0 JBADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(S(C)(=O)=O)CC2)n1 ZINC001511162177 1068635301 /nfs/dbraw/zinc/63/53/01/1068635301.db2.gz QEVCDFOIMJCIIU-OAHLLOKOSA-N 0 0 471.609 -0.084 20 0 JBADRN Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCNS(C)(=O)=O)c1 ZINC001511174301 1068635201 /nfs/dbraw/zinc/63/52/01/1068635201.db2.gz BUALKKCRONKMIB-KRWDZBQOSA-N 0 0 486.620 -0.047 20 0 JBADRN Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCNS(C)(=O)=O)c1 ZINC001511174302 1068635152 /nfs/dbraw/zinc/63/51/52/1068635152.db2.gz BUALKKCRONKMIB-QGZVFWFLSA-N 0 0 486.620 -0.047 20 0 JBADRN Cc1cccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCS(=O)(=O)N(C)C)c1 ZINC001511210318 1068635922 /nfs/dbraw/zinc/63/59/22/1068635922.db2.gz ODFVPUGBENFNCD-INIZCTEOSA-N 0 0 491.574 -0.796 20 0 JBADRN Cc1cccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCS(=O)(=O)N(C)C)c1 ZINC001511210319 1068635899 /nfs/dbraw/zinc/63/58/99/1068635899.db2.gz ODFVPUGBENFNCD-MRXNPFEDSA-N 0 0 491.574 -0.796 20 0 JBADRN Cc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001511270755 1068635947 /nfs/dbraw/zinc/63/59/47/1068635947.db2.gz WGHNITNBHHUGDM-IBGZPJMESA-N 0 0 469.589 -0.115 20 0 JBADRN Cc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001511270760 1068635985 /nfs/dbraw/zinc/63/59/85/1068635985.db2.gz WGHNITNBHHUGDM-LJQANCHMSA-N 0 0 469.589 -0.115 20 0 JBADRN Cc1ccccc1OCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001511345152 1068635935 /nfs/dbraw/zinc/63/59/35/1068635935.db2.gz CQXIYDJPIKRVIH-INIZCTEOSA-N 0 0 455.519 -0.049 20 0 JBADRN Cc1ccccc1OCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001511345158 1068635924 /nfs/dbraw/zinc/63/59/24/1068635924.db2.gz CQXIYDJPIKRVIH-MRXNPFEDSA-N 0 0 455.519 -0.049 20 0 JBADRN Cc1cccnc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001511358413 1068635978 /nfs/dbraw/zinc/63/59/78/1068635978.db2.gz BEXNDQOPFNXMFE-INIZCTEOSA-N 0 0 454.578 -0.069 20 0 JBADRN Cc1cccnc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001511358427 1068635913 /nfs/dbraw/zinc/63/59/13/1068635913.db2.gz BEXNDQOPFNXMFE-MRXNPFEDSA-N 0 0 454.578 -0.069 20 0 JBADRN Cc1cccnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1 ZINC001511359860 1068635886 /nfs/dbraw/zinc/63/58/86/1068635886.db2.gz QDFIQYAVRRTMQQ-HNNXBMFYSA-N 0 0 451.553 -0.065 20 0 JBADRN Cc1cccnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1 ZINC001511359871 1068635963 /nfs/dbraw/zinc/63/59/63/1068635963.db2.gz QDFIQYAVRRTMQQ-OAHLLOKOSA-N 0 0 451.553 -0.065 20 0 JBADRN Cc1cnn(C[C@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)N(C)C)CCO2)c1 ZINC001511417770 1068635918 /nfs/dbraw/zinc/63/59/18/1068635918.db2.gz LINHAZMVHRMDMW-CVEARBPZSA-N 0 0 466.568 -0.469 20 0 JBADRN Cc1cnn(C[C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)N(C)C)CCO2)c1 ZINC001511417784 1068635895 /nfs/dbraw/zinc/63/58/95/1068635895.db2.gz LINHAZMVHRMDMW-HOTGVXAUSA-N 0 0 466.568 -0.469 20 0 JBADRN Cc1cnn(C[C@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCS(=O)(=O)N(C)C)CCO2)c1 ZINC001511417790 1068635891 /nfs/dbraw/zinc/63/58/91/1068635891.db2.gz LINHAZMVHRMDMW-HZPDHXFCSA-N 0 0 466.568 -0.469 20 0 JBADRN Cc1cnn(C[C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCS(=O)(=O)N(C)C)CCO2)c1 ZINC001511417792 1068635987 /nfs/dbraw/zinc/63/59/87/1068635987.db2.gz LINHAZMVHRMDMW-JKSUJKDBSA-N 0 0 466.568 -0.469 20 0 JBADRN Cc1cnn(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)c1 ZINC001511420434 1068635909 /nfs/dbraw/zinc/63/59/09/1068635909.db2.gz RGYKTPFUCKJENX-HNNXBMFYSA-N 0 0 457.582 -0.615 20 0 JBADRN Cc1cnn(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)c1 ZINC001511420438 1068635937 /nfs/dbraw/zinc/63/59/37/1068635937.db2.gz RGYKTPFUCKJENX-OAHLLOKOSA-N 0 0 457.582 -0.615 20 0 JBADRN Cc1cnn(C[C@@H]2CN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(=O)N(C)C)CCO2)c1 ZINC001511420731 1068635941 /nfs/dbraw/zinc/63/59/41/1068635941.db2.gz PHHGMQWDUXFMKW-CVEARBPZSA-N 0 0 451.553 -0.321 20 0 JBADRN Cc1cnn(C[C@@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(=O)N(C)C)CCO2)c1 ZINC001511420735 1068635958 /nfs/dbraw/zinc/63/59/58/1068635958.db2.gz PHHGMQWDUXFMKW-HOTGVXAUSA-N 0 0 451.553 -0.321 20 0 JBADRN Cc1cnn(C[C@H]2CN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(=O)N(C)C)CCO2)c1 ZINC001511420737 1068635904 /nfs/dbraw/zinc/63/59/04/1068635904.db2.gz PHHGMQWDUXFMKW-HZPDHXFCSA-N 0 0 451.553 -0.321 20 0 JBADRN Cc1cnn(C[C@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(=O)N(C)C)CCO2)c1 ZINC001511420738 1068635969 /nfs/dbraw/zinc/63/59/69/1068635969.db2.gz PHHGMQWDUXFMKW-JKSUJKDBSA-N 0 0 451.553 -0.321 20 0 JBADRN Cc1cnn(C[C@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)CCO2)c1 ZINC001511420962 1068636496 /nfs/dbraw/zinc/63/64/96/1068636496.db2.gz YNXUNTKTGVNICR-CVEARBPZSA-N 0 0 466.568 -0.421 20 0 JBADRN Cc1cnn(C[C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)CCO2)c1 ZINC001511420963 1068636612 /nfs/dbraw/zinc/63/66/12/1068636612.db2.gz YNXUNTKTGVNICR-HOTGVXAUSA-N 0 0 466.568 -0.421 20 0 JBADRN Cc1cnn(C[C@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)CCO2)c1 ZINC001511420964 1068636623 /nfs/dbraw/zinc/63/66/23/1068636623.db2.gz YNXUNTKTGVNICR-HZPDHXFCSA-N 0 0 466.568 -0.421 20 0 JBADRN Cc1cnn(C[C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)CCO2)c1 ZINC001511420965 1068636460 /nfs/dbraw/zinc/63/64/60/1068636460.db2.gz YNXUNTKTGVNICR-JKSUJKDBSA-N 0 0 466.568 -0.421 20 0 JBADRN Cc1coc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O ZINC001511441045 1068636638 /nfs/dbraw/zinc/63/66/38/1068636638.db2.gz AQHVAPLIAHCOKX-INIZCTEOSA-N 0 0 490.608 -0.145 20 0 JBADRN Cc1coc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNS(C)(=O)=O ZINC001511441049 1068636483 /nfs/dbraw/zinc/63/64/83/1068636483.db2.gz AQHVAPLIAHCOKX-MRXNPFEDSA-N 0 0 490.608 -0.145 20 0 JBADRN Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 ZINC001511469593 1068636504 /nfs/dbraw/zinc/63/65/04/1068636504.db2.gz DVDNHJDXHFWSPA-UHFFFAOYSA-N 0 0 490.590 -0.263 20 0 JBADRN Cc1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CCNS(C)(=O)=O)n1 ZINC001511471833 1068636599 /nfs/dbraw/zinc/63/65/99/1068636599.db2.gz MZQNOGUPCGTHCM-LLVKDONJSA-N 0 0 451.600 -0.313 20 0 JBADRN Cc1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CCNS(C)(=O)=O)n1 ZINC001511471835 1068636471 /nfs/dbraw/zinc/63/64/71/1068636471.db2.gz MZQNOGUPCGTHCM-NSHDSACASA-N 0 0 451.600 -0.313 20 0 JBADRN Cc1cscc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001511475038 1068636528 /nfs/dbraw/zinc/63/65/28/1068636528.db2.gz ATFBFCCQTQQIKH-GXTWGEPZSA-N 0 0 467.577 -0.546 20 0 JBADRN Cc1cscc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001511475044 1068636590 /nfs/dbraw/zinc/63/65/90/1068636590.db2.gz ATFBFCCQTQQIKH-JSGCOSHPSA-N 0 0 467.577 -0.546 20 0 JBADRN Cc1cscc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001511475047 1068636656 /nfs/dbraw/zinc/63/66/56/1068636656.db2.gz ATFBFCCQTQQIKH-OCCSQVGLSA-N 0 0 467.577 -0.546 20 0 JBADRN Cc1cscc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001511475049 1068636648 /nfs/dbraw/zinc/63/66/48/1068636648.db2.gz ATFBFCCQTQQIKH-TZMCWYRMSA-N 0 0 467.577 -0.546 20 0 JBADRN Cc1csc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)CC2)n1 ZINC001511476169 1068636434 /nfs/dbraw/zinc/63/64/34/1068636434.db2.gz NTSHMHBMILHWNG-CYBMUJFWSA-N 0 0 454.582 -0.130 20 0 JBADRN Cc1csc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)CC2)n1 ZINC001511476181 1068636577 /nfs/dbraw/zinc/63/65/77/1068636577.db2.gz NTSHMHBMILHWNG-ZDUSSCGKSA-N 0 0 454.582 -0.130 20 0 JBADRN Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CCNS(C)(=O)=O)s1 ZINC001511502925 1068636517 /nfs/dbraw/zinc/63/65/17/1068636517.db2.gz YZSNUBMJXIWICP-LLVKDONJSA-N 0 0 465.627 -0.005 20 0 JBADRN Cc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CCNS(C)(=O)=O)s1 ZINC001511502928 1068636451 /nfs/dbraw/zinc/63/64/51/1068636451.db2.gz YZSNUBMJXIWICP-NSHDSACASA-N 0 0 465.627 -0.005 20 0 JBADRN Cc1nc(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2CCNS(C)(=O)=O)cs1 ZINC001511510222 1068636543 /nfs/dbraw/zinc/63/65/43/1068636543.db2.gz IKBDNNGLDRKBPR-UHFFFAOYSA-N 0 0 457.582 -0.522 20 0 JBADRN Cc1nc(Cc2nnc(N3CCC(OCC(N)=O)CC3)n2CC(=O)N2CCOCC2)cs1 ZINC001511537800 1068636674 /nfs/dbraw/zinc/63/66/74/1068636674.db2.gz VUAQZELKDKYFMR-UHFFFAOYSA-N 0 0 463.564 -0.037 20 0 JBADRN Cc1nc(Cc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCS(=O)(=O)N(C)C)cs1 ZINC001511540296 1068636560 /nfs/dbraw/zinc/63/65/60/1068636560.db2.gz ISEFMBHUJXEUMM-UHFFFAOYSA-N 0 0 491.665 -0.003 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2CC(=O)N(C)C)cs1 ZINC001511540713 1068637346 /nfs/dbraw/zinc/63/73/46/1068637346.db2.gz KIUFXUGSYGJZNB-UHFFFAOYSA-N 0 0 460.564 -0.351 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN(C(=O)C(=O)N4CCCC4)CC3)n2CCS(C)(=O)=O)cs1 ZINC001511540992 1068637232 /nfs/dbraw/zinc/63/72/32/1068637232.db2.gz LUMSNHBFSZOQEE-UHFFFAOYSA-N 0 0 495.631 -0.051 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN(C(=O)C(=O)N4CCCC4)CC3)n2CC(=O)N(C)C)cs1 ZINC001511541566 1068637680 /nfs/dbraw/zinc/63/76/80/1068637680.db2.gz PEQYKWLBFGGKMD-UHFFFAOYSA-N 0 0 474.591 -0.007 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN(C)C(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)cs1 ZINC001511543814 1068637442 /nfs/dbraw/zinc/63/74/42/1068637442.db2.gz PSJAIPIGIRSFLN-UHFFFAOYSA-N 0 0 454.578 -0.148 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCS(=O)(=O)C(C)(C)C)cs1 ZINC001511545349 1068637368 /nfs/dbraw/zinc/63/73/68/1068637368.db2.gz HXBIXIBYAHBESI-HNNXBMFYSA-N 0 0 495.631 -0.006 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCS(=O)(=O)C(C)(C)C)cs1 ZINC001511545353 1068637261 /nfs/dbraw/zinc/63/72/61/1068637261.db2.gz HXBIXIBYAHBESI-OAHLLOKOSA-N 0 0 495.631 -0.006 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCNS(C)(=O)=O)cs1 ZINC001511545740 1068637667 /nfs/dbraw/zinc/63/76/67/1068637667.db2.gz DWQZMMZYVKVTRT-UHFFFAOYSA-N 0 0 470.625 -0.607 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CCNS(C)(=O)=O)cs1 ZINC001511545911 1068637227 /nfs/dbraw/zinc/63/72/27/1068637227.db2.gz MDIHSXNNVWKGRM-LBPRGKRZSA-N 0 0 477.638 -0.347 20 0 JBADRN Cc1nc(Cc2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CCS(=O)(=O)N(C)C)cs1 ZINC001511548875 1068637612 /nfs/dbraw/zinc/63/76/12/1068637612.db2.gz SIBIADDVHNMKMV-UHFFFAOYSA-N 0 0 496.663 -0.074 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(CC(F)F)CC2)n[nH]1 ZINC001511566203 1068637207 /nfs/dbraw/zinc/63/72/07/1068637207.db2.gz HFUBJNBODHKWTJ-AWEZNQCLSA-N 0 0 489.553 -0.333 20 0 JBADRN Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(CC(F)F)CC2)n[nH]1 ZINC001511566213 1068637320 /nfs/dbraw/zinc/63/73/20/1068637320.db2.gz HFUBJNBODHKWTJ-CQSZACIVSA-N 0 0 489.553 -0.333 20 0 JBADRN Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n[nH]1 ZINC001511567026 1068637218 /nfs/dbraw/zinc/63/72/18/1068637218.db2.gz RHYUPHHGCFDHMB-AWEZNQCLSA-N 0 0 458.571 -0.125 20 0 JBADRN Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)n[nH]1 ZINC001511567029 1068637636 /nfs/dbraw/zinc/63/76/36/1068637636.db2.gz RHYUPHHGCFDHMB-CQSZACIVSA-N 0 0 458.571 -0.125 20 0 JBADRN Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)n[nH]1 ZINC001511568689 1068637269 /nfs/dbraw/zinc/63/72/69/1068637269.db2.gz WAAFNRISBDPYLY-UHFFFAOYSA-N 0 0 458.571 -0.170 20 0 JBADRN Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCO[C@@H](C)C2)n[nH]1 ZINC001511569329 1068637236 /nfs/dbraw/zinc/63/72/36/1068637236.db2.gz TXPMIKJDEMVTNY-DZGCQCFKSA-N 0 0 454.557 -0.105 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCO[C@H](C)C2)n[nH]1 ZINC001511569349 1068637293 /nfs/dbraw/zinc/63/72/93/1068637293.db2.gz TXPMIKJDEMVTNY-HIFRSBDPSA-N 0 0 454.557 -0.105 20 0 JBADRN Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCO[C@H](C)C2)n[nH]1 ZINC001511569355 1068637382 /nfs/dbraw/zinc/63/73/82/1068637382.db2.gz TXPMIKJDEMVTNY-UKRRQHHQSA-N 0 0 454.557 -0.105 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCO[C@@H](C)C2)n[nH]1 ZINC001511569358 1068637564 /nfs/dbraw/zinc/63/75/64/1068637564.db2.gz TXPMIKJDEMVTNY-ZFWWWQNUSA-N 0 0 454.557 -0.105 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC001511569402 1068638319 /nfs/dbraw/zinc/63/83/19/1068638319.db2.gz UESHBZYZZYQODA-GUTXKFCHSA-N 0 0 454.557 -0.106 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@H](C)C2)n[nH]1 ZINC001511569404 1068638406 /nfs/dbraw/zinc/63/84/06/1068638406.db2.gz UESHBZYZZYQODA-NFAWXSAZSA-N 0 0 454.557 -0.106 20 0 JBADRN Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC001511569407 1068638432 /nfs/dbraw/zinc/63/84/32/1068638432.db2.gz UESHBZYZZYQODA-VNHYZAJKSA-N 0 0 454.557 -0.106 20 0 JBADRN Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)O[C@@H](C)C2)n[nH]1 ZINC001511569410 1068638386 /nfs/dbraw/zinc/63/83/86/1068638386.db2.gz UESHBZYZZYQODA-YDHLFZDLSA-N 0 0 454.557 -0.106 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(C(C)C)n3CCNS(C)(=O)=O)CC2)cn1C ZINC001511574326 1068638372 /nfs/dbraw/zinc/63/83/72/1068638372.db2.gz GGYAZCAGKYVBJF-UHFFFAOYSA-N 0 0 474.613 -0.496 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC(=O)N(C)C)CC2)cn1C ZINC001511576640 1068638377 /nfs/dbraw/zinc/63/83/77/1068638377.db2.gz UGEFWCGWAGJGAS-HNNXBMFYSA-N 0 0 493.594 -0.740 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCC(=O)N(C)C)CC2)cn1C ZINC001511576662 1068638419 /nfs/dbraw/zinc/63/84/19/1068638419.db2.gz UGEFWCGWAGJGAS-OAHLLOKOSA-N 0 0 493.594 -0.740 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(C)n3CC3CCS(=O)(=O)CC3)CC2)cn1C ZINC001511576905 1068638334 /nfs/dbraw/zinc/63/83/34/1068638334.db2.gz VFVLZJPGVXJTBQ-UHFFFAOYSA-N 0 0 471.609 -0.036 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCC3)CC2)cn1C ZINC001511581174 1068638394 /nfs/dbraw/zinc/63/83/94/1068638394.db2.gz YEJAVCMGNKZVDE-UHFFFAOYSA-N 0 0 480.595 -0.116 20 0 JBADRN Cc1ncc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(=O)N(C)C)CC2)s1 ZINC001511589696 1068638355 /nfs/dbraw/zinc/63/83/55/1068638355.db2.gz OOWLADNRPKLOMM-CYBMUJFWSA-N 0 0 470.625 -0.088 20 0 JBADRN Cc1ncc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(=O)N(C)C)CC2)s1 ZINC001511589697 1068638416 /nfs/dbraw/zinc/63/84/16/1068638416.db2.gz OOWLADNRPKLOMM-ZDUSSCGKSA-N 0 0 470.625 -0.088 20 0 JBADRN Cc1nccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(=O)N3CCOCC3)CC2)n1 ZINC001511593716 1068638421 /nfs/dbraw/zinc/63/84/21/1068638421.db2.gz NAPPWECMYINEEE-UHFFFAOYSA-N 0 0 457.539 -0.300 20 0 JBADRN Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001511606288 1068638428 /nfs/dbraw/zinc/63/84/28/1068638428.db2.gz RELOVZHWNVXRLH-INIZCTEOSA-N 0 0 457.539 -0.451 20 0 JBADRN Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001511606289 1068638341 /nfs/dbraw/zinc/63/83/41/1068638341.db2.gz RELOVZHWNVXRLH-MRXNPFEDSA-N 0 0 457.539 -0.451 20 0 JBADRN Cc1nccn1CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001511609365 1068638282 /nfs/dbraw/zinc/63/82/82/1068638282.db2.gz MBXGYMRAWXNJMK-INIZCTEOSA-N 0 0 466.568 -0.467 20 0 JBADRN Cc1nccn1CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001511609377 1068638361 /nfs/dbraw/zinc/63/83/61/1068638361.db2.gz MBXGYMRAWXNJMK-MRXNPFEDSA-N 0 0 466.568 -0.467 20 0 JBADRN Cc1nccn1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511609626 1068638348 /nfs/dbraw/zinc/63/83/48/1068638348.db2.gz FVCPUUSHDICZSB-GOSISDBHSA-N 0 0 478.623 -0.014 20 0 JBADRN Cc1nccn1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511609641 1068638307 /nfs/dbraw/zinc/63/83/07/1068638307.db2.gz FVCPUUSHDICZSB-SFHVURJKSA-N 0 0 478.623 -0.014 20 0 JBADRN Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001511613923 1068638784 /nfs/dbraw/zinc/63/87/84/1068638784.db2.gz JJCJGNKKQYELBU-UHFFFAOYSA-N 0 0 473.582 -0.398 20 0 JBADRN Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001511617669 1068638853 /nfs/dbraw/zinc/63/88/53/1068638853.db2.gz XHZZKXZSNFBKLX-UHFFFAOYSA-N 0 0 487.565 -0.871 20 0 JBADRN Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001511617793 1068638875 /nfs/dbraw/zinc/63/88/75/1068638875.db2.gz XUIPVXXJOWFOIG-AWEZNQCLSA-N 0 0 488.640 -0.046 20 0 JBADRN Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001511617808 1068638917 /nfs/dbraw/zinc/63/89/17/1068638917.db2.gz XUIPVXXJOWFOIG-CQSZACIVSA-N 0 0 488.640 -0.046 20 0 JBADRN Cc1nccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511621756 1068639059 /nfs/dbraw/zinc/63/90/59/1068639059.db2.gz GNQQPCMXQOUGMI-KRWDZBQOSA-N 0 0 464.596 -0.404 20 0 JBADRN Cc1nccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511621764 1068639029 /nfs/dbraw/zinc/63/90/29/1068639029.db2.gz GNQQPCMXQOUGMI-QGZVFWFLSA-N 0 0 464.596 -0.404 20 0 JBADRN Cc1nccnc1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001511623596 1068638943 /nfs/dbraw/zinc/63/89/43/1068638943.db2.gz NNNGFGJOGUOJEC-UHFFFAOYSA-N 0 0 469.550 -0.315 20 0 JBADRN Cc1nccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001511624820 1068639043 /nfs/dbraw/zinc/63/90/43/1068639043.db2.gz SUGDBBNPKBHZKC-GOEBONIOSA-N 0 0 471.609 -0.145 20 0 JBADRN Cc1nccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001511624847 1068638964 /nfs/dbraw/zinc/63/89/64/1068638964.db2.gz SUGDBBNPKBHZKC-HOCLYGCPSA-N 0 0 471.609 -0.145 20 0 JBADRN Cc1nccnc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001511627334 1068638984 /nfs/dbraw/zinc/63/89/84/1068638984.db2.gz INRSRPSEXQIHBC-DOTOQJQBSA-N 0 0 478.579 -0.381 20 0 JBADRN Cc1nccnc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001511627339 1068639069 /nfs/dbraw/zinc/63/90/69/1068639069.db2.gz INRSRPSEXQIHBC-NVXWUHKLSA-N 0 0 478.579 -0.381 20 0 JBADRN Cc1nccnc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001511627343 1068638997 /nfs/dbraw/zinc/63/89/97/1068638997.db2.gz INRSRPSEXQIHBC-RDJZCZTQSA-N 0 0 478.579 -0.381 20 0 JBADRN Cc1nccnc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001511627345 1068638830 /nfs/dbraw/zinc/63/88/30/1068638830.db2.gz INRSRPSEXQIHBC-WBVHZDCISA-N 0 0 478.579 -0.381 20 0 JBADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 ZINC001511640328 1068638759 /nfs/dbraw/zinc/63/87/59/1068638759.db2.gz GRNIFHLOTVJHSG-NVXWUHKLSA-N 0 0 480.595 -0.124 20 0 JBADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 ZINC001511640329 1068638957 /nfs/dbraw/zinc/63/89/57/1068638957.db2.gz GRNIFHLOTVJHSG-WBVHZDCISA-N 0 0 480.595 -0.124 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001511640759 1068638896 /nfs/dbraw/zinc/63/88/96/1068638896.db2.gz AFVCFTBSILENHG-GXTWGEPZSA-N 0 0 452.541 -0.072 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001511640760 1068639021 /nfs/dbraw/zinc/63/90/21/1068639021.db2.gz AFVCFTBSILENHG-JSGCOSHPSA-N 0 0 452.541 -0.072 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001511640761 1068638906 /nfs/dbraw/zinc/63/89/06/1068638906.db2.gz AFVCFTBSILENHG-OCCSQVGLSA-N 0 0 452.541 -0.072 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001511640762 1068638808 /nfs/dbraw/zinc/63/88/08/1068638808.db2.gz AFVCFTBSILENHG-TZMCWYRMSA-N 0 0 452.541 -0.072 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511643339 1068639004 /nfs/dbraw/zinc/63/90/04/1068639004.db2.gz NPSMWGCKHGEZSR-HNNXBMFYSA-N 0 0 481.627 -0.503 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511643352 1068639702 /nfs/dbraw/zinc/63/97/02/1068639702.db2.gz NPSMWGCKHGEZSR-OAHLLOKOSA-N 0 0 481.627 -0.503 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511643501 1068639747 /nfs/dbraw/zinc/63/97/47/1068639747.db2.gz IFHXQBXBLLVMCC-KRWDZBQOSA-N 0 0 478.623 -0.211 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001511643510 1068639520 /nfs/dbraw/zinc/63/95/20/1068639520.db2.gz IFHXQBXBLLVMCC-QGZVFWFLSA-N 0 0 478.623 -0.211 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001511643634 1068639669 /nfs/dbraw/zinc/63/96/69/1068639669.db2.gz PDZNZQPZUQNFJI-UHFFFAOYSA-N 0 0 473.582 -0.012 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001511644678 1068639648 /nfs/dbraw/zinc/63/96/48/1068639648.db2.gz KCRDVZHNXLQFTI-UHFFFAOYSA-N 0 0 485.593 -0.028 20 0 JBADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)CC1 ZINC001511646795 1068639709 /nfs/dbraw/zinc/63/97/09/1068639709.db2.gz RXRAVYMCUYZNKT-DOTOQJQBSA-N 0 0 493.638 -0.161 20 0 JBADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)CC1 ZINC001511646811 1068639630 /nfs/dbraw/zinc/63/96/30/1068639630.db2.gz RXRAVYMCUYZNKT-NVXWUHKLSA-N 0 0 493.638 -0.161 20 0 JBADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)n(C)n1 ZINC001511655124 1068639608 /nfs/dbraw/zinc/63/96/08/1068639608.db2.gz KQNAEOIUTZQKQD-KBPBESRZSA-N 0 0 474.613 -0.551 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)n(C)n1 ZINC001511655152 1068639730 /nfs/dbraw/zinc/63/97/30/1068639730.db2.gz KQNAEOIUTZQKQD-UONOGXRCSA-N 0 0 474.613 -0.551 20 0 JBADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(N3CCNC3=O)CC2)n(C)n1 ZINC001511658012 1068639684 /nfs/dbraw/zinc/63/96/84/1068639684.db2.gz SXWJXVKXSZGBSU-AWEZNQCLSA-N 0 0 465.584 -0.027 20 0 JBADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(N3CCNC3=O)CC2)n(C)n1 ZINC001511658013 1068639544 /nfs/dbraw/zinc/63/95/44/1068639544.db2.gz SXWJXVKXSZGBSU-CQSZACIVSA-N 0 0 465.584 -0.027 20 0 JBADRN Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(NS(C)(=O)=O)CC2)n(C)n1 ZINC001511660460 1068639660 /nfs/dbraw/zinc/63/96/60/1068639660.db2.gz SBZTVEFXUWVCIM-AWEZNQCLSA-N 0 0 471.609 -0.212 20 0 JBADRN Cc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)n(C)n1 ZINC001511660461 1068639566 /nfs/dbraw/zinc/63/95/66/1068639566.db2.gz SYZQGHMPBSOWNE-UHFFFAOYSA-N 0 0 471.566 -0.336 20 0 JBADRN Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(NS(C)(=O)=O)CC2)n(C)n1 ZINC001511660464 1068639741 /nfs/dbraw/zinc/63/97/41/1068639741.db2.gz SBZTVEFXUWVCIM-CQSZACIVSA-N 0 0 471.609 -0.212 20 0 JBADRN 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C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCNS(C)(=O)=O)C[C@H]1N1CCOCC1 ZINC001512440515 1068649002 /nfs/dbraw/zinc/64/90/02/1068649002.db2.gz UOSYTGQGQDXIPW-NVXWUHKLSA-N 0 0 450.569 -0.169 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cnccn3)n2CCCNS(C)(=O)=O)C[C@@H]1N1CCOCC1 ZINC001512440516 1068649077 /nfs/dbraw/zinc/64/90/77/1068649077.db2.gz UOSYTGQGQDXIPW-RDJZCZTQSA-N 0 0 450.569 -0.169 20 0 JBADRN C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCNS(C)(=O)=O)C[C@@H]1N1CCOCC1 ZINC001512440517 1068648950 /nfs/dbraw/zinc/64/89/50/1068648950.db2.gz UOSYTGQGQDXIPW-WBVHZDCISA-N 0 0 450.569 -0.169 20 0 JBADRN C[C@H]1OCC[C@@]12CN(c1nnc([C@@H]3CCC(=O)N3)n1CCCNS(C)(=O)=O)C[C@@H](C)O2 ZINC001512446130 1068648944 /nfs/dbraw/zinc/64/89/44/1068648944.db2.gz DEBWNLCQIITHPO-BKEDOTJMSA-N 0 0 456.569 -0.059 20 0 JBADRN C[C@H]1OCC[C@]12CN(c1nnc([C@@H]3CCC(=O)N3)n1CCCNS(C)(=O)=O)C[C@@H](C)O2 ZINC001512446133 1068648885 /nfs/dbraw/zinc/64/88/85/1068648885.db2.gz DEBWNLCQIITHPO-CUYVQJCZSA-N 0 0 456.569 -0.059 20 0 JBADRN C[C@@H]1OCC[C@@]12CN(c1nnc([C@@H]3CCC(=O)N3)n1CCCNS(C)(=O)=O)C[C@@H](C)O2 ZINC001512446135 1068648988 /nfs/dbraw/zinc/64/89/88/1068648988.db2.gz DEBWNLCQIITHPO-MMMWYMCRSA-N 0 0 456.569 -0.059 20 0 JBADRN C[C@@H]1OCC[C@]12CN(c1nnc([C@@H]3CCC(=O)N3)n1CCCNS(C)(=O)=O)C[C@@H](C)O2 ZINC001512446137 1068648974 /nfs/dbraw/zinc/64/89/74/1068648974.db2.gz DEBWNLCQIITHPO-QZNHQWIBSA-N 0 0 456.569 -0.059 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)C[C@H]1N1CCOCC1 ZINC001512460670 1068649068 /nfs/dbraw/zinc/64/90/68/1068649068.db2.gz AVLDYTSQGTTWHS-BRWVUGGUSA-N 0 0 454.597 -0.185 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)C[C@@H]1N1CCOCC1 ZINC001512460674 1068649050 /nfs/dbraw/zinc/64/90/50/1068649050.db2.gz AVLDYTSQGTTWHS-IKGGRYGDSA-N 0 0 454.597 -0.185 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)C[C@H]1N1CCOCC1 ZINC001512460677 1068649100 /nfs/dbraw/zinc/64/91/00/1068649100.db2.gz AVLDYTSQGTTWHS-IXDOHACOSA-N 0 0 454.597 -0.185 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)C[C@@H]1N1CCOCC1 ZINC001512460680 1068649082 /nfs/dbraw/zinc/64/90/82/1068649082.db2.gz AVLDYTSQGTTWHS-ZACQAIPSSA-N 0 0 454.597 -0.185 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCCS(C)(=O)=O)C[C@@H](C)O1 ZINC001512460919 1068648931 /nfs/dbraw/zinc/64/89/31/1068648931.db2.gz BIROCPSWUMZECN-KFWWJZLASA-N 0 0 450.583 -0.145 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCCS(C)(=O)=O)C[C@@H](C)O1 ZINC001512460968 1068649061 /nfs/dbraw/zinc/64/90/61/1068649061.db2.gz BIROCPSWUMZECN-RBSFLKMASA-N 0 0 450.583 -0.145 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@](=O)C(C)(C)C)CC(=O)N1C ZINC001512465474 1068649031 /nfs/dbraw/zinc/64/90/31/1068649031.db2.gz ATWPBELDKVDGOY-GXKTYZIESA-N 0 0 490.652 -0.175 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@](=O)C(C)(C)C)CC(=O)N1C ZINC001512465479 1068649024 /nfs/dbraw/zinc/64/90/24/1068649024.db2.gz ATWPBELDKVDGOY-LELMWSPKSA-N 0 0 490.652 -0.175 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@@](=O)C(C)(C)C)CC(=O)N1C ZINC001512465484 1068648995 /nfs/dbraw/zinc/64/89/95/1068648995.db2.gz ATWPBELDKVDGOY-XBEXLBAHSA-N 0 0 490.652 -0.175 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@@](=O)C(C)(C)C)CC(=O)N1C ZINC001512465488 1068648867 /nfs/dbraw/zinc/64/88/67/1068648867.db2.gz ATWPBELDKVDGOY-ZHANGXNJSA-N 0 0 490.652 -0.175 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC(F)(F)CO2)CC(=O)N1C ZINC001512466714 1068649043 /nfs/dbraw/zinc/64/90/43/1068649043.db2.gz DNFIJAJUISTJFO-HZSPNIEDSA-N 0 0 478.522 -0.298 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC(F)(F)CO2)CC(=O)N1C ZINC001512466717 1068649089 /nfs/dbraw/zinc/64/90/89/1068649089.db2.gz DNFIJAJUISTJFO-MCIONIFRSA-N 0 0 478.522 -0.298 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC(F)(F)CO2)CC(=O)N1C ZINC001512466719 1068649766 /nfs/dbraw/zinc/64/97/66/1068649766.db2.gz DNFIJAJUISTJFO-MGPQQGTHSA-N 0 0 478.522 -0.298 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC(F)(F)CO2)CC(=O)N1C ZINC001512466722 1068649723 /nfs/dbraw/zinc/64/97/23/1068649723.db2.gz DNFIJAJUISTJFO-RDBSUJKOSA-N 0 0 478.522 -0.298 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCS2(=O)=O)C[C@@H](C)O1 ZINC001512467350 1068649750 /nfs/dbraw/zinc/64/97/50/1068649750.db2.gz FTIPAJJLQQMXLF-BZUAXINKSA-N 0 0 492.624 -0.740 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCS2(=O)=O)C[C@@H](C)O1 ZINC001512467351 1068649645 /nfs/dbraw/zinc/64/96/45/1068649645.db2.gz FTIPAJJLQQMXLF-OAGGEKHMSA-N 0 0 492.624 -0.740 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC001512467352 1068649658 /nfs/dbraw/zinc/64/96/58/1068649658.db2.gz FTIPAJJLQQMXLF-OWCLPIDISA-N 0 0 492.624 -0.740 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC001512467353 1068649791 /nfs/dbraw/zinc/64/97/91/1068649791.db2.gz FTIPAJJLQQMXLF-XHSDSOJGSA-N 0 0 492.624 -0.740 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNS(C)(=O)=O)CCCO1 ZINC001512467567 1068649799 /nfs/dbraw/zinc/64/97/99/1068649799.db2.gz GOBQXUZIVJIIQW-CABCVRRESA-N 0 0 480.613 -0.835 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNS(C)(=O)=O)CCCO1 ZINC001512467601 1068649680 /nfs/dbraw/zinc/64/96/80/1068649680.db2.gz GOBQXUZIVJIIQW-GJZGRUSLSA-N 0 0 480.613 -0.835 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNS(C)(=O)=O)CCCO1 ZINC001512467604 1068649717 /nfs/dbraw/zinc/64/97/17/1068649717.db2.gz GOBQXUZIVJIIQW-HUUCEWRRSA-N 0 0 480.613 -0.835 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNS(C)(=O)=O)CCCO1 ZINC001512467611 1068649631 /nfs/dbraw/zinc/64/96/31/1068649631.db2.gz GOBQXUZIVJIIQW-LSDHHAIUSA-N 0 0 480.613 -0.835 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CCO1 ZINC001512467646 1068649737 /nfs/dbraw/zinc/64/97/37/1068649737.db2.gz GWXQYZRCKFOADV-KBPBESRZSA-N 0 0 451.571 -0.729 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CCO1 ZINC001512467657 1068649666 /nfs/dbraw/zinc/64/96/66/1068649666.db2.gz GWXQYZRCKFOADV-KGLIPLIRSA-N 0 0 451.571 -0.729 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CCO1 ZINC001512467660 1068649697 /nfs/dbraw/zinc/64/96/97/1068649697.db2.gz GWXQYZRCKFOADV-UONOGXRCSA-N 0 0 451.571 -0.729 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CCO1 ZINC001512467663 1068649758 /nfs/dbraw/zinc/64/97/58/1068649758.db2.gz GWXQYZRCKFOADV-ZIAGYGMSSA-N 0 0 451.571 -0.729 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCS(=O)(=O)CC2)CCO1 ZINC001512467810 1068649692 /nfs/dbraw/zinc/64/96/92/1068649692.db2.gz HKCSLXONOAHKGP-GDBMZVCRSA-N 0 0 477.609 -0.339 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCS(=O)(=O)CC2)CCO1 ZINC001512467815 1068649710 /nfs/dbraw/zinc/64/97/10/1068649710.db2.gz HKCSLXONOAHKGP-GOEBONIOSA-N 0 0 477.609 -0.339 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCS(=O)(=O)CC2)CCO1 ZINC001512467820 1068649728 /nfs/dbraw/zinc/64/97/28/1068649728.db2.gz HKCSLXONOAHKGP-HOCLYGCPSA-N 0 0 477.609 -0.339 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCS(=O)(=O)CC2)CCO1 ZINC001512467823 1068649770 /nfs/dbraw/zinc/64/97/70/1068649770.db2.gz HKCSLXONOAHKGP-ZBFHGGJFSA-N 0 0 477.609 -0.339 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@H](C2CC2)O1 ZINC001512468145 1068649776 /nfs/dbraw/zinc/64/97/76/1068649776.db2.gz ILHMMXJDYSDWCK-BMFZPTHFSA-N 0 0 492.624 -0.836 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@H](C2CC2)O1 ZINC001512468146 1068649744 /nfs/dbraw/zinc/64/97/44/1068649744.db2.gz ILHMMXJDYSDWCK-FVQBIDKESA-N 0 0 492.624 -0.836 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@@H](C2CC2)O1 ZINC001512468147 1068650155 /nfs/dbraw/zinc/65/01/55/1068650155.db2.gz ILHMMXJDYSDWCK-KBMXLJTQSA-N 0 0 492.624 -0.836 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@@H](C2CC2)O1 ZINC001512468148 1068650342 /nfs/dbraw/zinc/65/03/42/1068650342.db2.gz ILHMMXJDYSDWCK-VNQPRFMTSA-N 0 0 492.624 -0.836 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C[C@H](C2CC2)O1 ZINC001512468927 1068650172 /nfs/dbraw/zinc/65/01/72/1068650172.db2.gz KRAHDTBXQBAVRG-BPLDGKMQSA-N 0 0 492.549 -0.004 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C[C@@H](C2CC2)O1 ZINC001512468928 1068650336 /nfs/dbraw/zinc/65/03/36/1068650336.db2.gz KRAHDTBXQBAVRG-SNPRPXQTSA-N 0 0 492.549 -0.004 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C[C@@H](C2CC2)O1 ZINC001512468930 1068650269 /nfs/dbraw/zinc/65/02/69/1068650269.db2.gz KRAHDTBXQBAVRG-VHDGCEQUSA-N 0 0 492.549 -0.004 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)C[C@H](C2CC2)O1 ZINC001512468932 1068650294 /nfs/dbraw/zinc/65/02/94/1068650294.db2.gz KRAHDTBXQBAVRG-YUELXQCFSA-N 0 0 492.549 -0.004 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CC(C)(C)O1 ZINC001512469272 1068650258 /nfs/dbraw/zinc/65/02/58/1068650258.db2.gz LRRCJSRUBJFCPA-KBPBESRZSA-N 0 0 465.598 -0.341 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CC(C)(C)O1 ZINC001512469274 1068650347 /nfs/dbraw/zinc/65/03/47/1068650347.db2.gz LRRCJSRUBJFCPA-KGLIPLIRSA-N 0 0 465.598 -0.341 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CC(C)(C)O1 ZINC001512469276 1068650183 /nfs/dbraw/zinc/65/01/83/1068650183.db2.gz LRRCJSRUBJFCPA-UONOGXRCSA-N 0 0 465.598 -0.341 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CC(C)(C)O1 ZINC001512469283 1068650352 /nfs/dbraw/zinc/65/03/52/1068650352.db2.gz LRRCJSRUBJFCPA-ZIAGYGMSSA-N 0 0 465.598 -0.341 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 ZINC001512469609 1068650216 /nfs/dbraw/zinc/65/02/16/1068650216.db2.gz 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C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 ZINC001512577790 1068654496 /nfs/dbraw/zinc/65/44/96/1068654496.db2.gz KYBVQHLMCYYSQS-VLIAUNLRSA-N 0 0 464.548 -0.329 20 0 JBADRN C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 ZINC001512577791 1068654566 /nfs/dbraw/zinc/65/45/66/1068654566.db2.gz KYBVQHLMCYYSQS-XOBRGWDASA-N 0 0 464.548 -0.329 20 0 JBADRN C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001512578710 1068654596 /nfs/dbraw/zinc/65/45/96/1068654596.db2.gz DUTHOMNRJZAUNK-POORBHPNSA-N 0 0 459.569 -0.236 20 0 JBADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001512578713 1068654538 /nfs/dbraw/zinc/65/45/38/1068654538.db2.gz DUTHOMNRJZAUNK-SPCJURDBSA-N 0 0 459.569 -0.236 20 0 JBADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001512578714 1068654510 /nfs/dbraw/zinc/65/45/10/1068654510.db2.gz DUTHOMNRJZAUNK-WPECMILSSA-N 0 0 459.569 -0.236 20 0 JBADRN C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001512578717 1068654549 /nfs/dbraw/zinc/65/45/49/1068654549.db2.gz DUTHOMNRJZAUNK-ZHEXZJMTSA-N 0 0 459.569 -0.236 20 0 JBADRN C[C@H]1OCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001512579405 1068654473 /nfs/dbraw/zinc/65/44/73/1068654473.db2.gz HFMMNOOKKJEYOK-FOIQADDNSA-N 0 0 470.596 -0.294 20 0 JBADRN C[C@@H]1OCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001512579408 1068654429 /nfs/dbraw/zinc/65/44/29/1068654429.db2.gz HFMMNOOKKJEYOK-MGPUTAFESA-N 0 0 470.596 -0.294 20 0 JBADRN C[C@H]1OCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001512579413 1068654579 /nfs/dbraw/zinc/65/45/79/1068654579.db2.gz HFMMNOOKKJEYOK-QRWLVFNGSA-N 0 0 470.596 -0.294 20 0 JBADRN C[C@@H]1OCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001512579416 1068654464 /nfs/dbraw/zinc/65/44/64/1068654464.db2.gz HFMMNOOKKJEYOK-YWZLYKJASA-N 0 0 470.596 -0.294 20 0 JBADRN C[C@H]1N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CCOC1(C)C ZINC001512582271 1068654504 /nfs/dbraw/zinc/65/45/04/1068654504.db2.gz UZWYZTMCMRECPO-CVEARBPZSA-N 0 0 486.595 -0.527 20 0 JBADRN C[C@@H]1N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CCOC1(C)C ZINC001512582273 1068654519 /nfs/dbraw/zinc/65/45/19/1068654519.db2.gz UZWYZTMCMRECPO-HOTGVXAUSA-N 0 0 486.595 -0.527 20 0 JBADRN C[C@H]1N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CCOC1(C)C ZINC001512582275 1068655260 /nfs/dbraw/zinc/65/52/60/1068655260.db2.gz UZWYZTMCMRECPO-HZPDHXFCSA-N 0 0 486.595 -0.527 20 0 JBADRN C[C@@H]1N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CCOC1(C)C ZINC001512582278 1068655275 /nfs/dbraw/zinc/65/52/75/1068655275.db2.gz UZWYZTMCMRECPO-JKSUJKDBSA-N 0 0 486.595 -0.527 20 0 JBADRN C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCS(C)(=O)=O ZINC001512582718 1068655213 /nfs/dbraw/zinc/65/52/13/1068655213.db2.gz QOSIBCVSKIBKKT-GRDNDAEWSA-N 0 0 450.583 -0.409 20 0 JBADRN 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JBADRN CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001517053901 1068758858 /nfs/dbraw/zinc/75/88/58/1068758858.db2.gz SSYTXUFEDAYDNJ-RBSFLKMASA-N 0 0 480.634 -0.229 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC001517055838 1068758833 /nfs/dbraw/zinc/75/88/33/1068758833.db2.gz FOPLBHVMLLOFFB-CVEARBPZSA-N 0 0 488.567 -0.183 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 ZINC001517055846 1068758768 /nfs/dbraw/zinc/75/87/68/1068758768.db2.gz FOPLBHVMLLOFFB-HOTGVXAUSA-N 0 0 488.567 -0.183 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC001517055852 1068758793 /nfs/dbraw/zinc/75/87/93/1068758793.db2.gz FOPLBHVMLLOFFB-HZPDHXFCSA-N 0 0 488.567 -0.183 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 ZINC001517055857 1068758893 /nfs/dbraw/zinc/75/88/93/1068758893.db2.gz FOPLBHVMLLOFFB-JKSUJKDBSA-N 0 0 488.567 -0.183 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CCC1 ZINC001517056444 1068758824 /nfs/dbraw/zinc/75/88/24/1068758824.db2.gz HSIMBLTWFZVOBW-PBHICJAKSA-N 0 0 463.582 -0.851 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CCC1 ZINC001517056450 1068758840 /nfs/dbraw/zinc/75/88/40/1068758840.db2.gz HSIMBLTWFZVOBW-RHSMWYFYSA-N 0 0 463.582 -0.851 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CCC1 ZINC001517056453 1068758799 /nfs/dbraw/zinc/75/87/99/1068758799.db2.gz HSIMBLTWFZVOBW-WMLDXEAASA-N 0 0 463.582 -0.851 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CCC1 ZINC001517056455 1068758864 /nfs/dbraw/zinc/75/88/64/1068758864.db2.gz HSIMBLTWFZVOBW-YOEHRIQHSA-N 0 0 463.582 -0.851 20 0 JBADRN CN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001517057673 1068758899 /nfs/dbraw/zinc/75/88/99/1068758899.db2.gz MDPSAYIBLKXEBT-CRAIPNDOSA-N 0 0 455.562 -0.563 20 0 JBADRN CN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001517057683 1068758872 /nfs/dbraw/zinc/75/88/72/1068758872.db2.gz MDPSAYIBLKXEBT-MAUKXSAKSA-N 0 0 455.562 -0.563 20 0 JBADRN CN(c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001517057686 1068758748 /nfs/dbraw/zinc/75/87/48/1068758748.db2.gz MDPSAYIBLKXEBT-QAPCUYQASA-N 0 0 455.562 -0.563 20 0 JBADRN CN(c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001517057689 1068758884 /nfs/dbraw/zinc/75/88/84/1068758884.db2.gz MDPSAYIBLKXEBT-YJBOKZPZSA-N 0 0 455.562 -0.563 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001517057955 1068758775 /nfs/dbraw/zinc/75/87/75/1068758775.db2.gz LSOAYMHNRKQAKU-ILXRZTDVSA-N 0 0 463.582 -0.587 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001517057960 1068758808 /nfs/dbraw/zinc/75/88/08/1068758808.db2.gz LSOAYMHNRKQAKU-KFWWJZLASA-N 0 0 463.582 -0.587 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001517057965 1068758891 /nfs/dbraw/zinc/75/88/91/1068758891.db2.gz LSOAYMHNRKQAKU-KKUMJFAQSA-N 0 0 463.582 -0.587 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001517057969 1068758848 /nfs/dbraw/zinc/75/88/48/1068758848.db2.gz LSOAYMHNRKQAKU-ZNMIVQPWSA-N 0 0 463.582 -0.587 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCOC1 ZINC001517059489 1068758782 /nfs/dbraw/zinc/75/87/82/1068758782.db2.gz PJILSDRJBRNWKF-CABCVRRESA-N 0 0 456.569 -0.118 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1)[C@H]1CCOC1 ZINC001517059497 1068759381 /nfs/dbraw/zinc/75/93/81/1068759381.db2.gz PJILSDRJBRNWKF-GJZGRUSLSA-N 0 0 456.569 -0.118 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCOC1 ZINC001517059503 1068759404 /nfs/dbraw/zinc/75/94/04/1068759404.db2.gz PJILSDRJBRNWKF-HUUCEWRRSA-N 0 0 456.569 -0.118 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1)[C@H]1CCOC1 ZINC001517059510 1068759291 /nfs/dbraw/zinc/75/92/91/1068759291.db2.gz PJILSDRJBRNWKF-LSDHHAIUSA-N 0 0 456.569 -0.118 20 0 JBADRN CN(c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001517060699 1068759273 /nfs/dbraw/zinc/75/92/73/1068759273.db2.gz LESQREOPUQTEDH-INIZCTEOSA-N 0 0 454.578 -0.077 20 0 JBADRN CN(c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001517060726 1068759342 /nfs/dbraw/zinc/75/93/42/1068759342.db2.gz LESQREOPUQTEDH-MRXNPFEDSA-N 0 0 454.578 -0.077 20 0 JBADRN CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1)[C@H]1CCOC1 ZINC001517061133 1068759364 /nfs/dbraw/zinc/75/93/64/1068759364.db2.gz RYMNBWRSNVXAOQ-CABCVRRESA-N 0 0 479.650 -0.216 20 0 JBADRN CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1)[C@H]1CCOC1 ZINC001517061173 1068759574 /nfs/dbraw/zinc/75/95/74/1068759574.db2.gz RYMNBWRSNVXAOQ-GJZGRUSLSA-N 0 0 479.650 -0.216 20 0 JBADRN CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1)[C@@H]1CCOC1 ZINC001517061179 1068759528 /nfs/dbraw/zinc/75/95/28/1068759528.db2.gz RYMNBWRSNVXAOQ-HUUCEWRRSA-N 0 0 479.650 -0.216 20 0 JBADRN CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1)[C@@H]1CCOC1 ZINC001517061184 1068759514 /nfs/dbraw/zinc/75/95/14/1068759514.db2.gz RYMNBWRSNVXAOQ-LSDHHAIUSA-N 0 0 479.650 -0.216 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001517061237 1068759418 /nfs/dbraw/zinc/75/94/18/1068759418.db2.gz SFCKWGQPFISTKO-CABCVRRESA-N 0 0 477.609 -0.461 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001517061243 1068759442 /nfs/dbraw/zinc/75/94/42/1068759442.db2.gz SFCKWGQPFISTKO-GJZGRUSLSA-N 0 0 477.609 -0.461 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001517061247 1068759304 /nfs/dbraw/zinc/75/93/04/1068759304.db2.gz SFCKWGQPFISTKO-HUUCEWRRSA-N 0 0 477.609 -0.461 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001517061250 1068759465 /nfs/dbraw/zinc/75/94/65/1068759465.db2.gz SFCKWGQPFISTKO-LSDHHAIUSA-N 0 0 477.609 -0.461 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCOC1 ZINC001517061605 1068759594 /nfs/dbraw/zinc/75/95/94/1068759594.db2.gz SUELNABWNSNOJR-NEPJUHHUSA-N 0 0 470.474 -0.485 20 0 JBADRN CN(c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CCN(S(C)(=O)=O)CC1 ZINC001517061787 1068759247 /nfs/dbraw/zinc/75/92/47/1068759247.db2.gz PXMBXIHRBFLNSF-FQEVSTJZSA-N 0 0 498.631 -0.326 20 0 JBADRN CN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CCN(S(C)(=O)=O)CC1 ZINC001517061794 1068759321 /nfs/dbraw/zinc/75/93/21/1068759321.db2.gz PXMBXIHRBFLNSF-HXUWFJFHSA-N 0 0 498.631 -0.326 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)(F)F)[C@H]1CCOC1 ZINC001517061795 1068759495 /nfs/dbraw/zinc/75/94/95/1068759495.db2.gz SUELNABWNSNOJR-NWDGAFQWSA-N 0 0 470.474 -0.485 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)(F)F)[C@H]1CCOC1 ZINC001517061798 1068759475 /nfs/dbraw/zinc/75/94/75/1068759475.db2.gz SUELNABWNSNOJR-RYUDHWBXSA-N 0 0 470.474 -0.485 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCOC1 ZINC001517061800 1068759632 /nfs/dbraw/zinc/75/96/32/1068759632.db2.gz SUELNABWNSNOJR-VXGBXAGGSA-N 0 0 470.474 -0.485 20 0 JBADRN CN(c1nnc(Cc2cccnc2)n1CCNS(C)(=O)=O)C1CCN(S(C)(=O)=O)CC1 ZINC001517061832 1068759612 /nfs/dbraw/zinc/75/96/12/1068759612.db2.gz RAKZJXQGJFXZEB-UHFFFAOYSA-N 0 0 471.609 -0.327 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCS(C)(=O)=O)C1CCC1 ZINC001517062331 1068759898 /nfs/dbraw/zinc/75/98/98/1068759898.db2.gz VGTQWMGGTQTKBJ-HNNXBMFYSA-N 0 0 465.598 -0.339 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCS(C)(=O)=O)C1CCC1 ZINC001517062333 1068760232 /nfs/dbraw/zinc/76/02/32/1068760232.db2.gz VGTQWMGGTQTKBJ-OAHLLOKOSA-N 0 0 465.598 -0.339 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 ZINC001517062508 1068759969 /nfs/dbraw/zinc/75/99/69/1068759969.db2.gz VPTZNRDZFQTJSW-CABCVRRESA-N 0 0 462.598 -0.366 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 ZINC001517062509 1068760071 /nfs/dbraw/zinc/76/00/71/1068760071.db2.gz VPTZNRDZFQTJSW-HUUCEWRRSA-N 0 0 462.598 -0.366 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC001517062589 1068760090 /nfs/dbraw/zinc/76/00/90/1068760090.db2.gz WJMVQZQCXYYMAL-DOTOQJQBSA-N 0 0 485.588 -0.012 20 0 JBADRN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001517062593 1068760155 /nfs/dbraw/zinc/76/01/55/1068760155.db2.gz WJMVQZQCXYYMAL-NVXWUHKLSA-N 0 0 485.588 -0.012 20 0 JBADRN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC001517062597 1068760139 /nfs/dbraw/zinc/76/01/39/1068760139.db2.gz WJMVQZQCXYYMAL-RDJZCZTQSA-N 0 0 485.588 -0.012 20 0 JBADRN 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CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001517369378 1068772226 /nfs/dbraw/zinc/77/22/26/1068772226.db2.gz LJWKDBQCCUJJBI-INIZCTEOSA-N 0 0 476.563 -0.002 20 0 JBADRN CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001517369389 1068772424 /nfs/dbraw/zinc/77/24/24/1068772424.db2.gz LJWKDBQCCUJJBI-MRXNPFEDSA-N 0 0 476.563 -0.002 20 0 JBADRN CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001517369439 1068772289 /nfs/dbraw/zinc/77/22/89/1068772289.db2.gz LSTFPKQBBRUTCF-CABCVRRESA-N 0 0 469.568 -0.212 20 0 JBADRN CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001517369457 1068772308 /nfs/dbraw/zinc/77/23/08/1068772308.db2.gz LSTFPKQBBRUTCF-HUUCEWRRSA-N 0 0 469.568 -0.212 20 0 JBADRN Cn1cc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2CCN2CCCS2(=O)=O)cn1 ZINC001517369965 1068772846 /nfs/dbraw/zinc/77/28/46/1068772846.db2.gz IUULDCIVJWNUDX-HNNXBMFYSA-N 0 0 486.624 -0.520 20 0 JBADRN Cn1cc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2CCN2CCCS2(=O)=O)cn1 ZINC001517369966 1068773000 /nfs/dbraw/zinc/77/30/00/1068773000.db2.gz IUULDCIVJWNUDX-OAHLLOKOSA-N 0 0 486.624 -0.520 20 0 JBADRN CN1C(=O)N[C@@H](C2CCN(c3nnc([C@@H]4CCOC4)n3CCCS(C)(=O)=O)CC2)C1=O ZINC001517370902 1068773199 /nfs/dbraw/zinc/77/31/99/1068773199.db2.gz RVSPMPYLTDNWIY-CABCVRRESA-N 0 0 454.553 -0.017 20 0 JBADRN CN1C(=O)N[C@@H](C2CCN(c3nnc([C@H]4CCOC4)n3CCCS(C)(=O)=O)CC2)C1=O ZINC001517370907 1068772827 /nfs/dbraw/zinc/77/28/27/1068772827.db2.gz RVSPMPYLTDNWIY-GJZGRUSLSA-N 0 0 454.553 -0.017 20 0 JBADRN CN1C(=O)N[C@H](C2CCN(c3nnc([C@@H]4CCOC4)n3CCCS(C)(=O)=O)CC2)C1=O ZINC001517370911 1068773151 /nfs/dbraw/zinc/77/31/51/1068773151.db2.gz RVSPMPYLTDNWIY-HUUCEWRRSA-N 0 0 454.553 -0.017 20 0 JBADRN CN1C(=O)N[C@H](C2CCN(c3nnc([C@H]4CCOC4)n3CCCS(C)(=O)=O)CC2)C1=O ZINC001517370914 1068772799 /nfs/dbraw/zinc/77/27/99/1068772799.db2.gz RVSPMPYLTDNWIY-LSDHHAIUSA-N 0 0 454.553 -0.017 20 0 JBADRN Cn1cc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC(=O)N2CCOCC2)cn1 ZINC001517373652 1068773132 /nfs/dbraw/zinc/77/31/32/1068773132.db2.gz CAERCBNAGPCEKW-UHFFFAOYSA-N 0 0 452.541 -0.991 20 0 JBADRN Cn1cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001517374100 1068772888 /nfs/dbraw/zinc/77/28/88/1068772888.db2.gz HWRCHAMANAGQEG-INIZCTEOSA-N 0 0 451.553 -0.059 20 0 JBADRN Cn1cc(-c2nnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001517374101 1068773107 /nfs/dbraw/zinc/77/31/07/1068773107.db2.gz HWRCHAMANAGQEG-MRXNPFEDSA-N 0 0 451.553 -0.059 20 0 JBADRN Cn1cc(-c2nnc(N3CCN(C(=O)N4CCOCC4)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001517374345 1068772910 /nfs/dbraw/zinc/77/29/10/1068772910.db2.gz IBCLWZHCLRBQOI-UHFFFAOYSA-N 0 0 466.568 -0.313 20 0 JBADRN Cn1cc(-c2nnc(N3CCCN(CC(=O)N4CCCC4)CC3)n2CCCNS(C)(=O)=O)cn1 ZINC001517374747 1068772932 /nfs/dbraw/zinc/77/29/32/1068772932.db2.gz VBRKZABEZDHOGI-UHFFFAOYSA-N 0 0 493.638 -0.248 20 0 JBADRN Cn1cc(-c2nnc(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)n2CCCCCO)cn1 ZINC001517374751 1068773121 /nfs/dbraw/zinc/77/31/21/1068773121.db2.gz VHJJKCLKZMULJK-UHFFFAOYSA-N 0 0 460.539 -0.651 20 0 JBADRN Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCN2CCOC(C)(C)C2)cn1 ZINC001517374906 1068773164 /nfs/dbraw/zinc/77/31/64/1068773164.db2.gz BGHUPDMYDLDKGM-UHFFFAOYSA-N 0 0 452.585 -0.129 20 0 JBADRN Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC(C)(C)N2CCOCC2)cn1 ZINC001517375109 1068773081 /nfs/dbraw/zinc/77/30/81/1068773081.db2.gz CZDGHYPDFNEEIH-UHFFFAOYSA-N 0 0 452.585 -0.129 20 0 JBADRN Cn1cc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001517375159 1068773227 /nfs/dbraw/zinc/77/32/27/1068773227.db2.gz DDSVBGNTVMXEJG-UHFFFAOYSA-N 0 0 464.596 -0.142 20 0 JBADRN Cn1cc([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCCNS(C)(=O)=O)CCO2)cn1 ZINC001517375199 1068772874 /nfs/dbraw/zinc/77/28/74/1068772874.db2.gz CTPOCSNMEKXIRG-INIZCTEOSA-N 0 0 466.568 -0.235 20 0 JBADRN Cn1cc([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCCNS(C)(=O)=O)CCO2)cn1 ZINC001517375200 1068773033 /nfs/dbraw/zinc/77/30/33/1068773033.db2.gz CTPOCSNMEKXIRG-MRXNPFEDSA-N 0 0 466.568 -0.235 20 0 JBADRN Cn1cc([C@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(=O)NCC(F)F)CCO2)cn1 ZINC001517375394 1068773018 /nfs/dbraw/zinc/77/30/18/1068773018.db2.gz GAAKMWQPUMVISN-GXTWGEPZSA-N 0 0 473.506 -0.127 20 0 JBADRN Cn1cc([C@@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(=O)NCC(F)F)CCO2)cn1 ZINC001517375395 1068773804 /nfs/dbraw/zinc/77/38/04/1068773804.db2.gz GAAKMWQPUMVISN-JSGCOSHPSA-N 0 0 473.506 -0.127 20 0 JBADRN Cn1cc([C@@H]2CN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(=O)NCC(F)F)CCO2)cn1 ZINC001517375396 1068773770 /nfs/dbraw/zinc/77/37/70/1068773770.db2.gz GAAKMWQPUMVISN-OCCSQVGLSA-N 0 0 473.506 -0.127 20 0 JBADRN Cn1cc([C@H]2CN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(=O)NCC(F)F)CCO2)cn1 ZINC001517375397 1068773631 /nfs/dbraw/zinc/77/36/31/1068773631.db2.gz GAAKMWQPUMVISN-TZMCWYRMSA-N 0 0 473.506 -0.127 20 0 JBADRN Cn1cc(-c2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2CCS(C)(=O)=O)cn1 ZINC001517375937 1068773716 /nfs/dbraw/zinc/77/37/16/1068773716.db2.gz LSSUTOGHXQDERZ-UHFFFAOYSA-N 0 0 464.596 -0.142 20 0 JBADRN Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCS(=O)(=O)CC2CC2)cn1 ZINC001517376033 1068773736 /nfs/dbraw/zinc/77/37/36/1068773736.db2.gz NDIOXXBPQVJZDT-UHFFFAOYSA-N 0 0 457.582 -0.415 20 0 JBADRN Cn1cc([C@@H]2CN(c3nnc(CN4CCCC4=O)n3CCCNS(C)(=O)=O)CCO2)cn1 ZINC001517376745 1068773732 /nfs/dbraw/zinc/77/37/32/1068773732.db2.gz TWFOKVJYKDEUBC-INIZCTEOSA-N 0 0 466.568 -0.349 20 0 JBADRN Cn1cc([C@H]2CN(c3nnc(CN4CCCC4=O)n3CCCNS(C)(=O)=O)CCO2)cn1 ZINC001517376756 1068773762 /nfs/dbraw/zinc/77/37/62/1068773762.db2.gz TWFOKVJYKDEUBC-MRXNPFEDSA-N 0 0 466.568 -0.349 20 0 JBADRN Cn1cc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001517376856 1068773644 /nfs/dbraw/zinc/77/36/44/1068773644.db2.gz XIGKDOSLOWOQAA-UHFFFAOYSA-N 0 0 450.569 -0.486 20 0 JBADRN Cn1cc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCCS(C)(=O)=O)CC2=O)cn1 ZINC001517379144 1068773580 /nfs/dbraw/zinc/77/35/80/1068773580.db2.gz QWCSXQKIJVJJEP-UHFFFAOYSA-N 0 0 464.552 -0.465 20 0 JBADRN Cn1cc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CC(=O)NCC(F)F)CC2)cn1 ZINC001517379684 1068773688 /nfs/dbraw/zinc/77/36/88/1068773688.db2.gz VYIALDYGGIWFNE-UHFFFAOYSA-N 0 0 451.482 -0.045 20 0 JBADRN Cn1cc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCNS(C)(=O)=O)CC2=O)cn1 ZINC001517382153 1068773855 /nfs/dbraw/zinc/77/38/55/1068773855.db2.gz ODXJJNBBBSQVAL-OAHLLOKOSA-N 0 0 452.541 -0.344 20 0 JBADRN Cn1cc(N2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CC(F)(F)F)CC2=O)cn1 ZINC001517382347 1068773787 /nfs/dbraw/zinc/77/37/87/1068773787.db2.gz PJQCJUREMJSOGN-CYBMUJFWSA-N 0 0 492.484 -0.240 20 0 JBADRN Cn1cc(N2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CC(F)(F)F)CC2=O)cn1 ZINC001517382387 1068773704 /nfs/dbraw/zinc/77/37/04/1068773704.db2.gz PJQCJUREMJSOGN-ZDUSSCGKSA-N 0 0 492.484 -0.240 20 0 JBADRN Cn1cc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 ZINC001517382883 1068773610 /nfs/dbraw/zinc/77/36/10/1068773610.db2.gz SERHAENUSNPVRY-INIZCTEOSA-N 0 0 471.609 -0.372 20 0 JBADRN Cn1cc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 ZINC001517382915 1068773827 /nfs/dbraw/zinc/77/38/27/1068773827.db2.gz SERHAENUSNPVRY-MRXNPFEDSA-N 0 0 471.609 -0.372 20 0 JBADRN Cn1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)n1 ZINC001517386607 1068773815 /nfs/dbraw/zinc/77/38/15/1068773815.db2.gz RZIYOPWJUJCUEW-HNNXBMFYSA-N 0 0 457.582 -0.844 20 0 JBADRN Cn1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)n1 ZINC001517386609 1068773777 /nfs/dbraw/zinc/77/37/77/1068773777.db2.gz RZIYOPWJUJCUEW-OAHLLOKOSA-N 0 0 457.582 -0.844 20 0 JBADRN Cn1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC001517387636 1068773747 /nfs/dbraw/zinc/77/37/47/1068773747.db2.gz YKQGVCXRBHQHPR-HNNXBMFYSA-N 0 0 450.569 -0.052 20 0 JBADRN Cn1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)n1 ZINC001517387745 1068773797 /nfs/dbraw/zinc/77/37/97/1068773797.db2.gz YKQGVCXRBHQHPR-OAHLLOKOSA-N 0 0 450.569 -0.052 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCOCCS(C)(=O)=O ZINC001517391403 1068774269 /nfs/dbraw/zinc/77/42/69/1068774269.db2.gz CKBBSPWUYWTCSR-UHFFFAOYSA-N 0 0 495.606 -0.081 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCOCCCO ZINC001517393281 1068774205 /nfs/dbraw/zinc/77/42/05/1068774205.db2.gz WJNCEAKRXYJREO-UHFFFAOYSA-N 0 0 459.551 -0.046 20 0 JBADRN Cn1cc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC2(CS(C)(=O)=O)CC2)cn1 ZINC001517393416 1068774459 /nfs/dbraw/zinc/77/44/59/1068774459.db2.gz IASRKKIAVAPBIE-UHFFFAOYSA-N 0 0 451.553 -0.026 20 0 JBADRN Cn1cc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC001517393558 1068774300 /nfs/dbraw/zinc/77/43/00/1068774300.db2.gz JEFSJZDRPXGJNT-AWEZNQCLSA-N 0 0 486.624 -0.522 20 0 JBADRN Cn1cc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC001517393573 1068774311 /nfs/dbraw/zinc/77/43/11/1068774311.db2.gz JEFSJZDRPXGJNT-CQSZACIVSA-N 0 0 486.624 -0.522 20 0 JBADRN 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CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC ZINC001517458159 1068780419 /nfs/dbraw/zinc/78/04/19/1068780419.db2.gz JRFYSDAUAOSFAR-RHSMWYFYSA-N 0 0 481.579 -0.119 20 0 JBADRN CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC ZINC001517458165 1068780380 /nfs/dbraw/zinc/78/03/80/1068780380.db2.gz JRFYSDAUAOSFAR-WMLDXEAASA-N 0 0 481.579 -0.119 20 0 JBADRN CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC ZINC001517458169 1068780303 /nfs/dbraw/zinc/78/03/03/1068780303.db2.gz JRFYSDAUAOSFAR-YOEHRIQHSA-N 0 0 481.579 -0.119 20 0 JBADRN CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NC ZINC001517460436 1068780388 /nfs/dbraw/zinc/78/03/88/1068780388.db2.gz RKJZCTKKCVTGMN-KBPBESRZSA-N 0 0 473.600 -0.799 20 0 JBADRN CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NC ZINC001517460437 1068780323 /nfs/dbraw/zinc/78/03/23/1068780323.db2.gz RKJZCTKKCVTGMN-KGLIPLIRSA-N 0 0 473.600 -0.799 20 0 JBADRN 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CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001517620928 1068798540 /nfs/dbraw/zinc/79/85/40/1068798540.db2.gz MLPPLXLQTMKMCD-HOCLYGCPSA-N 0 0 496.615 -0.197 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)C[C@H]2C)c1 ZINC001517620930 1068798657 /nfs/dbraw/zinc/79/86/57/1068798657.db2.gz MLPPLXLQTMKMCD-ZBFHGGJFSA-N 0 0 496.615 -0.197 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)c1 ZINC001517621092 1068799031 /nfs/dbraw/zinc/79/90/31/1068799031.db2.gz MTNACQHCOHXION-BBRMVZONSA-N 0 0 461.548 -0.148 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)c1 ZINC001517621094 1068799151 /nfs/dbraw/zinc/79/91/51/1068799151.db2.gz MTNACQHCOHXION-CJNGLKHVSA-N 0 0 461.548 -0.148 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)c1 ZINC001517621096 1068799137 /nfs/dbraw/zinc/79/91/37/1068799137.db2.gz MTNACQHCOHXION-CZUORRHYSA-N 0 0 461.548 -0.148 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)c1 ZINC001517621098 1068799039 /nfs/dbraw/zinc/79/90/39/1068799039.db2.gz MTNACQHCOHXION-XJKSGUPXSA-N 0 0 461.548 -0.148 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001517621128 1068799219 /nfs/dbraw/zinc/79/92/19/1068799219.db2.gz NVALQRBKKMZARQ-INIZCTEOSA-N 0 0 475.575 -0.420 20 0 JBADRN CNS(=O)(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001517621176 1068799067 /nfs/dbraw/zinc/79/90/67/1068799067.db2.gz NVALQRBKKMZARQ-MRXNPFEDSA-N 0 0 475.575 -0.420 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001517621552 1068799058 /nfs/dbraw/zinc/79/90/58/1068799058.db2.gz AUVDXAFRIHLXIE-DYEKYZERSA-N 0 0 450.587 -0.559 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001517621562 1068799270 /nfs/dbraw/zinc/79/92/70/1068799270.db2.gz AUVDXAFRIHLXIE-MBNYWOFBSA-N 0 0 450.587 -0.559 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001517621564 1068799083 /nfs/dbraw/zinc/79/90/83/1068799083.db2.gz AUVDXAFRIHLXIE-OBJOEFQTSA-N 0 0 450.587 -0.559 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001517621566 1068799163 /nfs/dbraw/zinc/79/91/63/1068799163.db2.gz AUVDXAFRIHLXIE-SGMGOOAPSA-N 0 0 450.587 -0.559 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001517621630 1068799199 /nfs/dbraw/zinc/79/91/99/1068799199.db2.gz BJCWYNBLQFYBBK-UHFFFAOYSA-N 0 0 463.568 -0.512 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001517621712 1068799177 /nfs/dbraw/zinc/79/91/77/1068799177.db2.gz GRWYSRZGZGCLLV-UHFFFAOYSA-N 0 0 450.569 -0.433 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001517621729 1068799258 /nfs/dbraw/zinc/79/92/58/1068799258.db2.gz GWVAUDUNTNTZEP-UHFFFAOYSA-N 0 0 457.582 -0.331 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001517621845 1068799245 /nfs/dbraw/zinc/79/92/45/1068799245.db2.gz HZPNKCHPIHXHDZ-HNNXBMFYSA-N 0 0 471.609 -0.037 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001517621859 1068799047 /nfs/dbraw/zinc/79/90/47/1068799047.db2.gz HZPNKCHPIHXHDZ-OAHLLOKOSA-N 0 0 471.609 -0.037 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 ZINC001517622178 1068799122 /nfs/dbraw/zinc/79/91/22/1068799122.db2.gz DGRRGGMEKIOZIE-IGQOVBAYSA-N 0 0 450.587 -0.844 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 ZINC001517622179 1068799231 /nfs/dbraw/zinc/79/92/31/1068799231.db2.gz DGRRGGMEKIOZIE-XJFOESAGSA-N 0 0 450.587 -0.844 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001517622191 1068799073 /nfs/dbraw/zinc/79/90/73/1068799073.db2.gz DUVLNEDSQRIDKI-UHFFFAOYSA-N 0 0 466.568 -0.318 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001517622213 1068799305 /nfs/dbraw/zinc/79/93/05/1068799305.db2.gz FLOXGFDLLVZVOL-QGZVFWFLSA-N 0 0 469.612 -0.388 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001517622239 1068799761 /nfs/dbraw/zinc/79/97/61/1068799761.db2.gz FZKSBEJEVMQKDC-HNNXBMFYSA-N 0 0 455.585 -0.244 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001517622240 1068799838 /nfs/dbraw/zinc/79/98/38/1068799838.db2.gz FZKSBEJEVMQKDC-OAHLLOKOSA-N 0 0 455.585 -0.244 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001517622247 1068799845 /nfs/dbraw/zinc/79/98/45/1068799845.db2.gz GEJVFZHAGIBZGJ-UHFFFAOYSA-N 0 0 484.627 -0.900 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001517622686 1068799732 /nfs/dbraw/zinc/79/97/32/1068799732.db2.gz IJSLNKHNMABLCM-HNNXBMFYSA-N 0 0 489.624 -0.932 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001517622689 1068799785 /nfs/dbraw/zinc/79/97/85/1068799785.db2.gz IJSLNKHNMABLCM-OAHLLOKOSA-N 0 0 489.624 -0.932 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001517622756 1068799807 /nfs/dbraw/zinc/79/98/07/1068799807.db2.gz IQUMODHLCPZUOT-HNNXBMFYSA-N 0 0 450.569 -0.134 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001517622779 1068799775 /nfs/dbraw/zinc/79/97/75/1068799775.db2.gz IQUMODHLCPZUOT-OAHLLOKOSA-N 0 0 450.569 -0.134 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001517622800 1068799667 /nfs/dbraw/zinc/79/96/67/1068799667.db2.gz IUJDAEMKLDOTHB-HNNXBMFYSA-N 0 0 456.569 -0.162 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001517622804 1068799722 /nfs/dbraw/zinc/79/97/22/1068799722.db2.gz IUJDAEMKLDOTHB-OAHLLOKOSA-N 0 0 456.569 -0.162 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001517622952 1068799711 /nfs/dbraw/zinc/79/97/11/1068799711.db2.gz SGYPDJGWXQMIKU-UHFFFAOYSA-N 0 0 459.536 -0.415 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001517623058 1068799680 /nfs/dbraw/zinc/79/96/80/1068799680.db2.gz VEQJGOYMTWGEBP-UHFFFAOYSA-N 0 0 451.553 -0.071 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001517623147 1068799795 /nfs/dbraw/zinc/79/97/95/1068799795.db2.gz WBVZKHQLXNHGPZ-UHFFFAOYSA-N 0 0 488.574 -0.025 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001517623293 1068799644 /nfs/dbraw/zinc/79/96/44/1068799644.db2.gz WWNAKRNBSRYTOO-CRAIPNDOSA-N 0 0 477.595 -0.727 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001517623294 1068799688 /nfs/dbraw/zinc/79/96/88/1068799688.db2.gz WWNAKRNBSRYTOO-MAUKXSAKSA-N 0 0 477.595 -0.727 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001517623295 1068799744 /nfs/dbraw/zinc/79/97/44/1068799744.db2.gz WWNAKRNBSRYTOO-QAPCUYQASA-N 0 0 477.595 -0.727 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001517623296 1068799819 /nfs/dbraw/zinc/79/98/19/1068799819.db2.gz WWNAKRNBSRYTOO-YJBOKZPZSA-N 0 0 477.595 -0.727 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001517623493 1068800071 /nfs/dbraw/zinc/80/00/71/1068800071.db2.gz ZVTQYMZYLZDKEO-GFCCVEGCSA-N 0 0 453.525 -0.388 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001517623500 1068800095 /nfs/dbraw/zinc/80/00/95/1068800095.db2.gz ZVTQYMZYLZDKEO-LBPRGKRZSA-N 0 0 453.525 -0.388 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001517623748 1068800243 /nfs/dbraw/zinc/80/02/43/1068800243.db2.gz AELSOTCJYIRMGG-UHFFFAOYSA-N 0 0 459.598 -0.307 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001517623817 1068800428 /nfs/dbraw/zinc/80/04/28/1068800428.db2.gz CGHVZFODGJMLRQ-CYBMUJFWSA-N 0 0 488.558 -0.196 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001517623829 1068800231 /nfs/dbraw/zinc/80/02/31/1068800231.db2.gz CGHVZFODGJMLRQ-ZDUSSCGKSA-N 0 0 488.558 -0.196 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001517623868 1068800048 /nfs/dbraw/zinc/80/00/48/1068800048.db2.gz DCKTYESWYIRLEV-NEPJUHHUSA-N 0 0 454.475 -0.164 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001517623869 1068800295 /nfs/dbraw/zinc/80/02/95/1068800295.db2.gz DCKTYESWYIRLEV-NWDGAFQWSA-N 0 0 454.475 -0.164 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001517623870 1068800316 /nfs/dbraw/zinc/80/03/16/1068800316.db2.gz DCKTYESWYIRLEV-RYUDHWBXSA-N 0 0 454.475 -0.164 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001517623872 1068800140 /nfs/dbraw/zinc/80/01/40/1068800140.db2.gz DCKTYESWYIRLEV-VXGBXAGGSA-N 0 0 454.475 -0.164 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001517623885 1068800166 /nfs/dbraw/zinc/80/01/66/1068800166.db2.gz AZMPPTWCIBIYTF-UHFFFAOYSA-N 0 0 457.582 -0.251 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001517624265 1068800261 /nfs/dbraw/zinc/80/02/61/1068800261.db2.gz BUSCWWMKYZZHHF-HNNXBMFYSA-N 0 0 497.603 -0.546 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001517624269 1068800404 /nfs/dbraw/zinc/80/04/04/1068800404.db2.gz BUSCWWMKYZZHHF-OAHLLOKOSA-N 0 0 497.603 -0.546 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 ZINC001517624318 1068800148 /nfs/dbraw/zinc/80/01/48/1068800148.db2.gz CCIHSNXPGPVJTB-UHFFFAOYSA-N 0 0 458.566 -0.419 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001517624343 1068800278 /nfs/dbraw/zinc/80/02/78/1068800278.db2.gz QJLURIBSZPPJPZ-DZGCQCFKSA-N 0 0 464.614 -0.310 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001517624345 1068800449 /nfs/dbraw/zinc/80/04/49/1068800449.db2.gz QJLURIBSZPPJPZ-HIFRSBDPSA-N 0 0 464.614 -0.310 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001517624348 1068800338 /nfs/dbraw/zinc/80/03/38/1068800338.db2.gz QJLURIBSZPPJPZ-UKRRQHHQSA-N 0 0 464.614 -0.310 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001517624351 1068800383 /nfs/dbraw/zinc/80/03/83/1068800383.db2.gz QJLURIBSZPPJPZ-ZFWWWQNUSA-N 0 0 464.614 -0.310 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001517624370 1068800360 /nfs/dbraw/zinc/80/03/60/1068800360.db2.gz CKRZOLYHNOVRER-CYBMUJFWSA-N 0 0 470.577 -0.435 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001517624376 1068800120 /nfs/dbraw/zinc/80/01/20/1068800120.db2.gz CKRZOLYHNOVRER-ZDUSSCGKSA-N 0 0 470.577 -0.435 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001517624461 1068800904 /nfs/dbraw/zinc/80/09/04/1068800904.db2.gz DSJUEMCEAXCLSV-JYJNAYRXSA-N 0 0 492.624 -0.977 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001517624462 1068800962 /nfs/dbraw/zinc/80/09/62/1068800962.db2.gz DSJUEMCEAXCLSV-OAGGEKHMSA-N 0 0 492.624 -0.977 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001517624463 1068800700 /nfs/dbraw/zinc/80/07/00/1068800700.db2.gz DSJUEMCEAXCLSV-PMPSAXMXSA-N 0 0 492.624 -0.977 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001517624464 1068800807 /nfs/dbraw/zinc/80/08/07/1068800807.db2.gz DSJUEMCEAXCLSV-XHSDSOJGSA-N 0 0 492.624 -0.977 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001517624716 1068800983 /nfs/dbraw/zinc/80/09/83/1068800983.db2.gz FKIXKCGQVWYLGT-UHFFFAOYSA-N 0 0 491.574 -0.570 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001517625023 1068800775 /nfs/dbraw/zinc/80/07/75/1068800775.db2.gz ROKMDWAYSFUNPW-CHWSQXEVSA-N 0 0 450.587 -0.679 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001517625030 1068800789 /nfs/dbraw/zinc/80/07/89/1068800789.db2.gz ROKMDWAYSFUNPW-OLZOCXBDSA-N 0 0 450.587 -0.679 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001517625035 1068800923 /nfs/dbraw/zinc/80/09/23/1068800923.db2.gz ROKMDWAYSFUNPW-QWHCGFSZSA-N 0 0 450.587 -0.679 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001517625044 1068800657 /nfs/dbraw/zinc/80/06/57/1068800657.db2.gz ROKMDWAYSFUNPW-STQMWFEESA-N 0 0 450.587 -0.679 20 0 JBADRN CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001517625051 1068800888 /nfs/dbraw/zinc/80/08/88/1068800888.db2.gz HCNDENFMSMEELH-UHFFFAOYSA-N 0 0 457.601 -0.010 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001517625174 1068801002 /nfs/dbraw/zinc/80/10/02/1068801002.db2.gz SGONLLWPVHWXMZ-HNNXBMFYSA-N 0 0 452.541 -0.835 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001517625181 1068800618 /nfs/dbraw/zinc/80/06/18/1068800618.db2.gz SGONLLWPVHWXMZ-OAHLLOKOSA-N 0 0 452.541 -0.835 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001517625244 1068800715 /nfs/dbraw/zinc/80/07/15/1068800715.db2.gz TUYCSLMKRHUXKX-AWEZNQCLSA-N 0 0 453.569 -0.442 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001517625246 1068800944 /nfs/dbraw/zinc/80/09/44/1068800944.db2.gz TUYCSLMKRHUXKX-CQSZACIVSA-N 0 0 453.569 -0.442 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001517625323 1068800639 /nfs/dbraw/zinc/80/06/39/1068800639.db2.gz VEIXMHMQBOBEBA-UHFFFAOYSA-N 0 0 453.569 -0.488 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001517625389 1068800861 /nfs/dbraw/zinc/80/08/61/1068800861.db2.gz GRRYYXBHDAIUIA-IYBDPMFKSA-N 0 0 486.576 -0.694 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 ZINC001517625521 1068800763 /nfs/dbraw/zinc/80/07/63/1068800763.db2.gz JLNAXMWPCLYZLE-AWEZNQCLSA-N 0 0 465.598 -0.639 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001517625538 1068801231 /nfs/dbraw/zinc/80/12/31/1068801231.db2.gz IBVUYBOHSKZQKT-UHFFFAOYSA-N 0 0 479.563 -0.567 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 ZINC001517625573 1068800682 /nfs/dbraw/zinc/80/06/82/1068800682.db2.gz JLNAXMWPCLYZLE-CQSZACIVSA-N 0 0 465.598 -0.639 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001517625678 1068801546 /nfs/dbraw/zinc/80/15/46/1068801546.db2.gz AVJGPANSPTWVML-CABCVRRESA-N 0 0 453.569 -0.479 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001517625684 1068801322 /nfs/dbraw/zinc/80/13/22/1068801322.db2.gz AVJGPANSPTWVML-GJZGRUSLSA-N 0 0 453.569 -0.479 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001517625689 1068801298 /nfs/dbraw/zinc/80/12/98/1068801298.db2.gz AVJGPANSPTWVML-HUUCEWRRSA-N 0 0 453.569 -0.479 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001517625694 1068801211 /nfs/dbraw/zinc/80/12/11/1068801211.db2.gz AVJGPANSPTWVML-LSDHHAIUSA-N 0 0 453.569 -0.479 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001517626136 1068801687 /nfs/dbraw/zinc/80/16/87/1068801687.db2.gz VYMMHEUGTWDBKF-CVEARBPZSA-N 0 0 485.611 -0.569 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001517626139 1068801192 /nfs/dbraw/zinc/80/11/92/1068801192.db2.gz VYMMHEUGTWDBKF-HOTGVXAUSA-N 0 0 485.611 -0.569 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC001517626140 1068801245 /nfs/dbraw/zinc/80/12/45/1068801245.db2.gz VYMMHEUGTWDBKF-HZPDHXFCSA-N 0 0 485.611 -0.569 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001517626142 1068801478 /nfs/dbraw/zinc/80/14/78/1068801478.db2.gz VYMMHEUGTWDBKF-JKSUJKDBSA-N 0 0 485.611 -0.569 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 ZINC001517626156 1068801391 /nfs/dbraw/zinc/80/13/91/1068801391.db2.gz LIPWLBFHNONFHY-HNNXBMFYSA-N 0 0 492.624 -0.690 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 ZINC001517626170 1068801502 /nfs/dbraw/zinc/80/15/02/1068801502.db2.gz LIPWLBFHNONFHY-OAHLLOKOSA-N 0 0 492.624 -0.690 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 ZINC001517626238 1068801608 /nfs/dbraw/zinc/80/16/08/1068801608.db2.gz LUXXZFNKOLKUHR-HNNXBMFYSA-N 0 0 494.640 -0.587 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 ZINC001517626252 1068801521 /nfs/dbraw/zinc/80/15/21/1068801521.db2.gz LUXXZFNKOLKUHR-OAHLLOKOSA-N 0 0 494.640 -0.587 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001517626271 1068801280 /nfs/dbraw/zinc/80/12/80/1068801280.db2.gz KRRFOBJBVCTHCT-UHFFFAOYSA-N 0 0 457.582 -0.345 20 0 JBADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001517626363 1068801570 /nfs/dbraw/zinc/80/15/70/1068801570.db2.gz XYAFCHXMMSQRRF-UHFFFAOYSA-N 0 0 451.557 -0.609 20 0 JBADRN CNS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001517626405 1068801417 /nfs/dbraw/zinc/80/14/17/1068801417.db2.gz GIYGVQBRGVBGIO-INIZCTEOSA-N 0 0 466.564 -0.064 20 0 JBADRN CNS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001517626406 1068801628 /nfs/dbraw/zinc/80/16/28/1068801628.db2.gz GIYGVQBRGVBGIO-MRXNPFEDSA-N 0 0 466.564 -0.064 20 0 JBADRN CNS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 ZINC001517626498 1068801673 /nfs/dbraw/zinc/80/16/73/1068801673.db2.gz IZMCEBJFEHKMIS-UHFFFAOYSA-N 0 0 470.527 -0.160 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001517626548 1068801261 /nfs/dbraw/zinc/80/12/61/1068801261.db2.gz LFDMYKVELJGKSI-CHWSQXEVSA-N 0 0 458.928 -0.097 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001517626688 1068802087 /nfs/dbraw/zinc/80/20/87/1068802087.db2.gz MDKGGKFTIFYOSF-HNNXBMFYSA-N 0 0 452.537 -0.156 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001517626698 1068801915 /nfs/dbraw/zinc/80/19/15/1068801915.db2.gz MDKGGKFTIFYOSF-OAHLLOKOSA-N 0 0 452.537 -0.156 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001517626801 1068802236 /nfs/dbraw/zinc/80/22/36/1068802236.db2.gz NLMJFOLTIIMSTC-DZGCQCFKSA-N 0 0 457.582 -0.196 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001517626812 1068802254 /nfs/dbraw/zinc/80/22/54/1068802254.db2.gz NLMJFOLTIIMSTC-HIFRSBDPSA-N 0 0 457.582 -0.196 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001517626816 1068802217 /nfs/dbraw/zinc/80/22/17/1068802217.db2.gz NLMJFOLTIIMSTC-UKRRQHHQSA-N 0 0 457.582 -0.196 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001517626820 1068802276 /nfs/dbraw/zinc/80/22/76/1068802276.db2.gz NLMJFOLTIIMSTC-ZFWWWQNUSA-N 0 0 457.582 -0.196 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 ZINC001517626861 1068802203 /nfs/dbraw/zinc/80/22/03/1068802203.db2.gz NYVKDCFEILLJCH-CABCVRRESA-N 0 0 480.613 -0.977 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 ZINC001517626864 1068802005 /nfs/dbraw/zinc/80/20/05/1068802005.db2.gz NYVKDCFEILLJCH-GJZGRUSLSA-N 0 0 480.613 -0.977 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 ZINC001517626869 1068801985 /nfs/dbraw/zinc/80/19/85/1068801985.db2.gz NYVKDCFEILLJCH-HUUCEWRRSA-N 0 0 480.613 -0.977 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 ZINC001517626874 1068801949 /nfs/dbraw/zinc/80/19/49/1068801949.db2.gz NYVKDCFEILLJCH-LSDHHAIUSA-N 0 0 480.613 -0.977 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001517627139 1068802136 /nfs/dbraw/zinc/80/21/36/1068802136.db2.gz DGZFVUBWVQUFER-KRWDZBQOSA-N 0 0 485.611 -0.950 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001517627145 1068801931 /nfs/dbraw/zinc/80/19/31/1068801931.db2.gz DGZFVUBWVQUFER-QGZVFWFLSA-N 0 0 485.611 -0.950 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001517627533 1068802108 /nfs/dbraw/zinc/80/21/08/1068802108.db2.gz OEWVEZJALYTTHZ-HNNXBMFYSA-N 0 0 464.596 -0.378 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001517627539 1068802052 /nfs/dbraw/zinc/80/20/52/1068802052.db2.gz OEWVEZJALYTTHZ-OAHLLOKOSA-N 0 0 464.596 -0.378 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001517627550 1068801968 /nfs/dbraw/zinc/80/19/68/1068801968.db2.gz OLYQIFUYFQXOEM-UHFFFAOYSA-N 0 0 452.585 -0.521 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001517627684 1068802296 /nfs/dbraw/zinc/80/22/96/1068802296.db2.gz ONIKNKLPBCSCQA-CVEARBPZSA-N 0 0 461.610 -0.018 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001517627687 1068802182 /nfs/dbraw/zinc/80/21/82/1068802182.db2.gz ONIKNKLPBCSCQA-HOTGVXAUSA-N 0 0 461.610 -0.018 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001517627691 1068802036 /nfs/dbraw/zinc/80/20/36/1068802036.db2.gz ONIKNKLPBCSCQA-HZPDHXFCSA-N 0 0 461.610 -0.018 20 0 JBADRN 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CO[C@@]1(Cn2c(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)nnc2C(C)(C)C)CCOC1 ZINC001517939528 1068813792 /nfs/dbraw/zinc/81/37/92/1068813792.db2.gz CDWITYAIIGVTEF-JOCHJYFZSA-N 0 0 464.567 -0.112 20 0 JBADRN CO[C@]1(Cn2c(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)nnc2C(C)(C)C)CCOC1 ZINC001517939529 1068813882 /nfs/dbraw/zinc/81/38/82/1068813882.db2.gz CDWITYAIIGVTEF-QFIPXVFZSA-N 0 0 464.567 -0.112 20 0 JBADRN CO[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(S(C)(=O)=O)CC2)CCOC1 ZINC001517939760 1068813692 /nfs/dbraw/zinc/81/36/92/1068813692.db2.gz ZCAZVLDYMULDHT-KBXCAEBGSA-N 0 0 462.594 -0.001 20 0 JBADRN CO[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(S(C)(=O)=O)CC2)CCOC1 ZINC001517939762 1068813866 /nfs/dbraw/zinc/81/38/66/1068813866.db2.gz ZCAZVLDYMULDHT-KDOFPFPSSA-N 0 0 462.594 -0.001 20 0 JBADRN CO[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(S(C)(=O)=O)CC2)CCOC1 ZINC001517939764 1068813778 /nfs/dbraw/zinc/81/37/78/1068813778.db2.gz ZCAZVLDYMULDHT-KSSFIOAISA-N 0 0 462.594 -0.001 20 0 JBADRN CO[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(S(C)(=O)=O)CC2)CCOC1 ZINC001517939765 1068813900 /nfs/dbraw/zinc/81/39/00/1068813900.db2.gz ZCAZVLDYMULDHT-RDTXWAMCSA-N 0 0 462.594 -0.001 20 0 JBADRN COc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001517944896 1068813876 /nfs/dbraw/zinc/81/38/76/1068813876.db2.gz IBCHSTGSWPSCMV-GDBMZVCRSA-N 0 0 491.574 -0.599 20 0 JBADRN COc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001517944899 1068813662 /nfs/dbraw/zinc/81/36/62/1068813662.db2.gz IBCHSTGSWPSCMV-GOEBONIOSA-N 0 0 491.574 -0.599 20 0 JBADRN COc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001517945152 1068813723 /nfs/dbraw/zinc/81/37/23/1068813723.db2.gz IBCHSTGSWPSCMV-HOCLYGCPSA-N 0 0 491.574 -0.599 20 0 JBADRN COc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001517945154 1068813849 /nfs/dbraw/zinc/81/38/49/1068813849.db2.gz IBCHSTGSWPSCMV-ZBFHGGJFSA-N 0 0 491.574 -0.599 20 0 JBADRN COc1cc(C)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001517951441 1068813857 /nfs/dbraw/zinc/81/38/57/1068813857.db2.gz YMMUSFLVVYUDTG-GDBMZVCRSA-N 0 0 491.574 -0.599 20 0 JBADRN COc1cc(C)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001517951444 1068813637 /nfs/dbraw/zinc/81/36/37/1068813637.db2.gz YMMUSFLVVYUDTG-GOEBONIOSA-N 0 0 491.574 -0.599 20 0 JBADRN COc1cc(C)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001517951448 1068813801 /nfs/dbraw/zinc/81/38/01/1068813801.db2.gz YMMUSFLVVYUDTG-HOCLYGCPSA-N 0 0 491.574 -0.599 20 0 JBADRN COc1cc(C)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001517951454 1068813760 /nfs/dbraw/zinc/81/37/60/1068813760.db2.gz YMMUSFLVVYUDTG-ZBFHGGJFSA-N 0 0 491.574 -0.599 20 0 JBADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1C ZINC001517988407 1068813839 /nfs/dbraw/zinc/81/38/39/1068813839.db2.gz HFGXNFZCCHBINH-INIZCTEOSA-N 0 0 455.519 -0.071 20 0 JBADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1C ZINC001517988408 1068814433 /nfs/dbraw/zinc/81/44/33/1068814433.db2.gz HFGXNFZCCHBINH-MRXNPFEDSA-N 0 0 455.519 -0.071 20 0 JBADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)ccc1OCCO ZINC001517990122 1068814221 /nfs/dbraw/zinc/81/42/21/1068814221.db2.gz SZHUCUHTRYMAPD-CABCVRRESA-N 0 0 496.590 -0.017 20 0 JBADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)ccc1OCCO ZINC001517990124 1068814352 /nfs/dbraw/zinc/81/43/52/1068814352.db2.gz SZHUCUHTRYMAPD-GJZGRUSLSA-N 0 0 496.590 -0.017 20 0 JBADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)ccc1OCCO ZINC001517990126 1068814283 /nfs/dbraw/zinc/81/42/83/1068814283.db2.gz SZHUCUHTRYMAPD-HUUCEWRRSA-N 0 0 496.590 -0.017 20 0 JBADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)ccc1OCCO ZINC001517990128 1068814238 /nfs/dbraw/zinc/81/42/38/1068814238.db2.gz SZHUCUHTRYMAPD-LSDHHAIUSA-N 0 0 496.590 -0.017 20 0 JBADRN COc1cc(Cn2c(C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)ccc1OCCO ZINC001517998651 1068814252 /nfs/dbraw/zinc/81/42/52/1068814252.db2.gz LDFDPEZAXFYEQN-UHFFFAOYSA-N 0 0 488.545 -0.478 20 0 JBADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)cc(OC)c1OC ZINC001517999798 1068814339 /nfs/dbraw/zinc/81/43/39/1068814339.db2.gz WIAFYYMNJLUZCY-GFCCVEGCSA-N 0 0 468.536 -0.101 20 0 JBADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)cc(OC)c1OC ZINC001517999799 1068814272 /nfs/dbraw/zinc/81/42/72/1068814272.db2.gz WIAFYYMNJLUZCY-LBPRGKRZSA-N 0 0 468.536 -0.101 20 0 JBADRN COc1cc(OC)cc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CCNS(C)(=O)=O)c1 ZINC001518040906 1068814298 /nfs/dbraw/zinc/81/42/98/1068814298.db2.gz UYAFFDAVPZESOH-UHFFFAOYSA-N 0 0 482.563 -0.194 20 0 JBADRN COc1ccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CCNS(C)(=O)=O)cc1OC ZINC001518099500 1068814317 /nfs/dbraw/zinc/81/43/17/1068814317.db2.gz AHOLHXIVOCMAQP-UHFFFAOYSA-N 0 0 482.563 -0.194 20 0 JBADRN CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001518143918 1068814170 /nfs/dbraw/zinc/81/41/70/1068814170.db2.gz BMSMQSOOKRPBOT-CYBMUJFWSA-N 0 0 452.576 -0.484 20 0 JBADRN CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001518143919 1068814418 /nfs/dbraw/zinc/81/44/18/1068814418.db2.gz BMSMQSOOKRPBOT-ZDUSSCGKSA-N 0 0 452.576 -0.484 20 0 JBADRN COc1ccc(-c2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)n2CCS(C)(=O)=O)cc1 ZINC001518162531 1068814472 /nfs/dbraw/zinc/81/44/72/1068814472.db2.gz VCESCMMZIBJQKY-UHFFFAOYSA-N 0 0 492.602 -0.021 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCNC(=O)C(C)C)cc1 ZINC001518164779 1068814451 /nfs/dbraw/zinc/81/44/51/1068814451.db2.gz GGHYAILCNKWTDE-INIZCTEOSA-N 0 0 455.519 -0.127 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCNC(=O)C(C)C)cc1 ZINC001518164783 1068814527 /nfs/dbraw/zinc/81/45/27/1068814527.db2.gz GGHYAILCNKWTDE-MRXNPFEDSA-N 0 0 455.519 -0.127 20 0 JBADRN COc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCOCCS(C)(=O)=O)cc1OC ZINC001518166306 1068814491 /nfs/dbraw/zinc/81/44/91/1068814491.db2.gz GQMUOOPVOFWATL-UHFFFAOYSA-N 0 0 453.521 -0.040 20 0 JBADRN COc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CCNS(C)(=O)=O)cc1 ZINC001518166511 1068814193 /nfs/dbraw/zinc/81/41/93/1068814193.db2.gz MFWWBHVQZCUCNJ-AWEZNQCLSA-N 0 0 472.593 -0.027 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC(=O)NC(C)C)cc1OC ZINC001518167555 1068814368 /nfs/dbraw/zinc/81/43/68/1068814368.db2.gz QXCOCWJCPAMRGG-HNNXBMFYSA-N 0 0 471.518 -0.366 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC(=O)NC(C)C)cc1OC ZINC001518168204 1068815018 /nfs/dbraw/zinc/81/50/18/1068815018.db2.gz QXCOCWJCPAMRGG-OAHLLOKOSA-N 0 0 471.518 -0.366 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCNS(C)(=O)=O)cc1 ZINC001518168352 1068814953 /nfs/dbraw/zinc/81/49/53/1068814953.db2.gz SBCUSZUGHMPDOW-HNNXBMFYSA-N 0 0 477.547 -0.960 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCNS(C)(=O)=O)cc1 ZINC001518168361 1068815103 /nfs/dbraw/zinc/81/51/03/1068815103.db2.gz SBCUSZUGHMPDOW-OAHLLOKOSA-N 0 0 477.547 -0.960 20 0 JBADRN COc1ccc(CCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001518213813 1068815048 /nfs/dbraw/zinc/81/50/48/1068815048.db2.gz YKDCPIGMRLNCCE-NRFANRHFSA-N 0 0 463.560 -0.100 20 0 JBADRN COc1ccc(CCc2nnc(N3CCN(C)C(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001518213826 1068814933 /nfs/dbraw/zinc/81/49/33/1068814933.db2.gz YKDCPIGMRLNCCE-OAQYLSRUSA-N 0 0 463.560 -0.100 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC001518262102 1068815076 /nfs/dbraw/zinc/81/50/76/1068815076.db2.gz DNBWYQLCZVVGFV-GXTWGEPZSA-N 0 0 458.566 -0.037 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cn1 ZINC001518262104 1068815004 /nfs/dbraw/zinc/81/50/04/1068815004.db2.gz DNBWYQLCZVVGFV-JSGCOSHPSA-N 0 0 458.566 -0.037 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cn1 ZINC001518262106 1068815066 /nfs/dbraw/zinc/81/50/66/1068815066.db2.gz DNBWYQLCZVVGFV-OCCSQVGLSA-N 0 0 458.566 -0.037 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC001518262108 1068815087 /nfs/dbraw/zinc/81/50/87/1068815087.db2.gz DNBWYQLCZVVGFV-TZMCWYRMSA-N 0 0 458.566 -0.037 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)cn1 ZINC001518265076 1068815096 /nfs/dbraw/zinc/81/50/96/1068815096.db2.gz PPLHOHVDCKFGGA-GXTWGEPZSA-N 0 0 451.509 -0.019 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC001518265080 1068814991 /nfs/dbraw/zinc/81/49/91/1068814991.db2.gz PPLHOHVDCKFGGA-JSGCOSHPSA-N 0 0 451.509 -0.019 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC001518265084 1068814867 /nfs/dbraw/zinc/81/48/67/1068814867.db2.gz PPLHOHVDCKFGGA-OCCSQVGLSA-N 0 0 451.509 -0.019 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)cn1 ZINC001518265087 1068815033 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COCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)CC2)CCOCC1 ZINC001518795191 1068827614 /nfs/dbraw/zinc/82/76/14/1068827614.db2.gz HTFDKUGMWXXNDF-MRXNPFEDSA-N 0 0 486.595 -0.620 20 0 JBADRN COCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)cc1 ZINC001518803441 1068827877 /nfs/dbraw/zinc/82/78/77/1068827877.db2.gz LHCRWBSCHZGYMA-KRWDZBQOSA-N 0 0 464.548 -0.258 20 0 JBADRN COCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)cc1 ZINC001518803445 1068827826 /nfs/dbraw/zinc/82/78/26/1068827826.db2.gz LHCRWBSCHZGYMA-QGZVFWFLSA-N 0 0 464.548 -0.258 20 0 JBADRN COCC1=CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001518822674 1068827432 /nfs/dbraw/zinc/82/74/32/1068827432.db2.gz UOHQUSRWWQXAKH-INIZCTEOSA-N 0 0 474.605 -0.097 20 0 JBADRN COCC1=CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001518822679 1068827516 /nfs/dbraw/zinc/82/75/16/1068827516.db2.gz UOHQUSRWWQXAKH-MRXNPFEDSA-N 0 0 474.605 -0.097 20 0 JBADRN COCC1=CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CC1 ZINC001518823560 1068827637 /nfs/dbraw/zinc/82/76/37/1068827637.db2.gz VOEVKGGXCURCIR-HNNXBMFYSA-N 0 0 463.582 -0.562 20 0 JBADRN COCC1=CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CC1 ZINC001518823561 1068827849 /nfs/dbraw/zinc/82/78/49/1068827849.db2.gz VOEVKGGXCURCIR-OAHLLOKOSA-N 0 0 463.582 -0.562 20 0 JBADRN COCc1nocc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001518834996 1068827570 /nfs/dbraw/zinc/82/75/70/1068827570.db2.gz KWIHQPHRYYZRTI-GXTWGEPZSA-N 0 0 453.525 -0.118 20 0 JBADRN COCc1nocc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001518835000 1068827837 /nfs/dbraw/zinc/82/78/37/1068827837.db2.gz KWIHQPHRYYZRTI-JSGCOSHPSA-N 0 0 453.525 -0.118 20 0 JBADRN COCc1nocc1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001518835489 1068827591 /nfs/dbraw/zinc/82/75/91/1068827591.db2.gz SXGUCWWZAYIVPQ-UHFFFAOYSA-N 0 0 460.539 -0.207 20 0 JBADRN 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COC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001518868532 1068828445 /nfs/dbraw/zinc/82/84/45/1068828445.db2.gz HLICRJLVQHARTL-IFXJQAMLSA-N 0 0 450.521 -0.052 20 0 JBADRN COC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001518868533 1068828285 /nfs/dbraw/zinc/82/82/85/1068828285.db2.gz HLICRJLVQHARTL-KUHUBIRLSA-N 0 0 450.521 -0.052 20 0 JBADRN COC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001518868534 1068828208 /nfs/dbraw/zinc/82/82/08/1068828208.db2.gz HLICRJLVQHARTL-LIRRHRJNSA-N 0 0 450.521 -0.052 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C1 ZINC001518891689 1068828264 /nfs/dbraw/zinc/82/82/64/1068828264.db2.gz BZLRPRFNHBBAQS-CABCVRRESA-N 0 0 465.598 -0.482 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C1 ZINC001518891691 1068828410 /nfs/dbraw/zinc/82/84/10/1068828410.db2.gz BZLRPRFNHBBAQS-GJZGRUSLSA-N 0 0 465.598 -0.482 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C1 ZINC001518891692 1068828482 /nfs/dbraw/zinc/82/84/82/1068828482.db2.gz BZLRPRFNHBBAQS-HUUCEWRRSA-N 0 0 465.598 -0.482 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C1 ZINC001518891693 1068828390 /nfs/dbraw/zinc/82/83/90/1068828390.db2.gz BZLRPRFNHBBAQS-LSDHHAIUSA-N 0 0 465.598 -0.482 20 0 JBADRN COCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001518892978 1068828328 /nfs/dbraw/zinc/82/83/28/1068828328.db2.gz GNWBFIBFZNORGO-CRAIPNDOSA-N 0 0 462.594 -0.407 20 0 JBADRN COCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001518892979 1068828550 /nfs/dbraw/zinc/82/85/50/1068828550.db2.gz GNWBFIBFZNORGO-MAUKXSAKSA-N 0 0 462.594 -0.407 20 0 JBADRN COCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001518892980 1068828429 /nfs/dbraw/zinc/82/84/29/1068828429.db2.gz GNWBFIBFZNORGO-QAPCUYQASA-N 0 0 462.594 -0.407 20 0 JBADRN 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COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 ZINC001518928447 1068829664 /nfs/dbraw/zinc/82/96/64/1068829664.db2.gz KZNSLXRUHRXQQY-XHSDSOJGSA-N 0 0 477.609 -0.544 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC(F)(F)CO2)CCO1 ZINC001518929403 1068830202 /nfs/dbraw/zinc/83/02/02/1068830202.db2.gz OICJNDURMFMJDE-ILXRZTDVSA-N 0 0 481.522 -0.113 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC(F)(F)CO2)CCO1 ZINC001518929420 1068830218 /nfs/dbraw/zinc/83/02/18/1068830218.db2.gz OICJNDURMFMJDE-KKUMJFAQSA-N 0 0 481.522 -0.113 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC(F)(F)CO2)CCO1 ZINC001518929424 1068830385 /nfs/dbraw/zinc/83/03/85/1068830385.db2.gz OICJNDURMFMJDE-QLFBSQMISA-N 0 0 481.522 -0.113 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC(F)(F)CO2)CCO1 ZINC001518929427 1068830233 /nfs/dbraw/zinc/83/02/33/1068830233.db2.gz OICJNDURMFMJDE-SOUVJXGZSA-N 0 0 481.522 -0.113 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001518929692 1068830478 /nfs/dbraw/zinc/83/04/78/1068830478.db2.gz PTKOGAZJMPJHNR-CEXWTWQISA-N 0 0 498.650 -0.026 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001518929693 1068830054 /nfs/dbraw/zinc/83/00/54/1068830054.db2.gz PTKOGAZJMPJHNR-FHWLQOOXSA-N 0 0 498.650 -0.026 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001518929694 1068830146 /nfs/dbraw/zinc/83/01/46/1068830146.db2.gz PTKOGAZJMPJHNR-GBESFXJTSA-N 0 0 498.650 -0.026 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001518929695 1068830287 /nfs/dbraw/zinc/83/02/87/1068830287.db2.gz PTKOGAZJMPJHNR-QYZOEREBSA-N 0 0 498.650 -0.026 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)C[C@@H](C)O1 ZINC001518930664 1068830415 /nfs/dbraw/zinc/83/04/15/1068830415.db2.gz SQSZLDBNJXAWCT-NCOADZHNSA-N 0 0 459.569 -0.112 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)C[C@H](C)O1 ZINC001518930667 1068830271 /nfs/dbraw/zinc/83/02/71/1068830271.db2.gz SQSZLDBNJXAWCT-QAETUUGQSA-N 0 0 459.569 -0.112 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)C[C@@H](C)O1 ZINC001518930670 1068830370 /nfs/dbraw/zinc/83/03/70/1068830370.db2.gz SQSZLDBNJXAWCT-QZWWFDLISA-N 0 0 459.569 -0.112 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)C[C@H](C)O1 ZINC001518930674 1068830251 /nfs/dbraw/zinc/83/02/51/1068830251.db2.gz SQSZLDBNJXAWCT-YVSFHVDLSA-N 0 0 459.569 -0.112 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H](C)O1 ZINC001518932446 1068830401 /nfs/dbraw/zinc/83/04/01/1068830401.db2.gz XCFFZRXOHNEFDR-NARAOEGZSA-N 0 0 486.595 -0.671 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CN(C)C2=O)C[C@@H](C)O1 ZINC001518932447 1068830126 /nfs/dbraw/zinc/83/01/26/1068830126.db2.gz 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DNRTUKMURNFPTO-MJGOQNOKSA-N 0 0 463.583 -0.195 20 0 JBADRN COC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001518937480 1068830924 /nfs/dbraw/zinc/83/09/24/1068830924.db2.gz DNRTUKMURNFPTO-PKOBYXMFSA-N 0 0 463.583 -0.195 20 0 JBADRN COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 ZINC001518938474 1068831025 /nfs/dbraw/zinc/83/10/25/1068831025.db2.gz GGWKRDOWDONFFA-CVEARBPZSA-N 0 0 456.569 -0.324 20 0 JBADRN COC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 ZINC001518938513 1068831234 /nfs/dbraw/zinc/83/12/34/1068831234.db2.gz GGWKRDOWDONFFA-HZPDHXFCSA-N 0 0 456.569 -0.324 20 0 JBADRN COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 ZINC001518944132 1068831065 /nfs/dbraw/zinc/83/10/65/1068831065.db2.gz UEQYYDLRAWRMPG-CVEARBPZSA-N 0 0 456.569 -0.466 20 0 JBADRN COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 ZINC001518944144 1068830760 /nfs/dbraw/zinc/83/07/60/1068830760.db2.gz UEQYYDLRAWRMPG-HOTGVXAUSA-N 0 0 456.569 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COCCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518951587 1068831493 /nfs/dbraw/zinc/83/14/93/1068831493.db2.gz NOTSGOJEYWDXFU-LSDHHAIUSA-N 0 0 468.580 -0.610 20 0 JBADRN COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001518954063 1068831813 /nfs/dbraw/zinc/83/18/13/1068831813.db2.gz FKZYDHDFNCOIAA-JOCHJYFZSA-N 0 0 481.598 -0.815 20 0 JBADRN COCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001518954065 1068831560 /nfs/dbraw/zinc/83/15/60/1068831560.db2.gz FKZYDHDFNCOIAA-QFIPXVFZSA-N 0 0 481.598 -0.815 20 0 JBADRN COCC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518954745 1068831608 /nfs/dbraw/zinc/83/16/08/1068831608.db2.gz KUFFHAALAILVEU-BFUOFWGJSA-N 0 0 496.366 -0.030 20 0 JBADRN COCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001518954764 1068831517 /nfs/dbraw/zinc/83/15/17/1068831517.db2.gz KUFFHAALAILVEU-DJJJIMSYSA-N 0 0 496.366 -0.030 20 0 JBADRN COCC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001518954765 1068831771 /nfs/dbraw/zinc/83/17/71/1068831771.db2.gz KUFFHAALAILVEU-ORAYPTAESA-N 0 0 496.366 -0.030 20 0 JBADRN COCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518954766 1068831653 /nfs/dbraw/zinc/83/16/53/1068831653.db2.gz KUFFHAALAILVEU-YJYMSZOUSA-N 0 0 496.366 -0.030 20 0 JBADRN COCC[C@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001518967518 1068831540 /nfs/dbraw/zinc/83/15/40/1068831540.db2.gz XMHZDHSGODPQHT-AOMKIAJQSA-N 0 0 458.519 -0.112 20 0 JBADRN COCC[C@@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001518967522 1068831684 /nfs/dbraw/zinc/83/16/84/1068831684.db2.gz XMHZDHSGODPQHT-KSFYIVLOSA-N 0 0 458.519 -0.112 20 0 JBADRN COCC[C@@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518967528 1068831667 /nfs/dbraw/zinc/83/16/67/1068831667.db2.gz XMHZDHSGODPQHT-OPAMFIHVSA-N 0 0 458.519 -0.112 20 0 JBADRN COCC[C@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518967534 1068831475 /nfs/dbraw/zinc/83/14/75/1068831475.db2.gz XMHZDHSGODPQHT-ZHRRBRCNSA-N 0 0 458.519 -0.112 20 0 JBADRN COCC[C@@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001518970132 1068831461 /nfs/dbraw/zinc/83/14/61/1068831461.db2.gz SCIRMTGQKAHIER-JOCHJYFZSA-N 0 0 464.567 -0.160 20 0 JBADRN COCC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001518970133 1068831628 /nfs/dbraw/zinc/83/16/28/1068831628.db2.gz SCIRMTGQKAHIER-QFIPXVFZSA-N 0 0 464.567 -0.160 20 0 JBADRN COCC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001518970519 1068831783 /nfs/dbraw/zinc/83/17/83/1068831783.db2.gz JWPXZZXTZZFTCA-CRAIPNDOSA-N 0 0 479.625 -0.561 20 0 JBADRN COCC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001518970522 1068831699 /nfs/dbraw/zinc/83/16/99/1068831699.db2.gz JWPXZZXTZZFTCA-MAUKXSAKSA-N 0 0 479.625 -0.561 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001518970525 1068831757 /nfs/dbraw/zinc/83/17/57/1068831757.db2.gz JWPXZZXTZZFTCA-QAPCUYQASA-N 0 0 479.625 -0.561 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001518970530 1068832461 /nfs/dbraw/zinc/83/24/61/1068832461.db2.gz JWPXZZXTZZFTCA-YJBOKZPZSA-N 0 0 479.625 -0.561 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001518971035 1068832474 /nfs/dbraw/zinc/83/24/74/1068832474.db2.gz KWHYQCXUUNBTRR-CCKFTAQKSA-N 0 0 457.553 -0.001 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001518971045 1068832433 /nfs/dbraw/zinc/83/24/33/1068832433.db2.gz KWHYQCXUUNBTRR-JVPBZIDWSA-N 0 0 457.553 -0.001 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001518971047 1068832084 /nfs/dbraw/zinc/83/20/84/1068832084.db2.gz KWHYQCXUUNBTRR-KYNGSXCRSA-N 0 0 457.553 -0.001 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001518971051 1068832448 /nfs/dbraw/zinc/83/24/48/1068832448.db2.gz KWHYQCXUUNBTRR-ZMYBRWDISA-N 0 0 457.553 -0.001 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 ZINC001518971605 1068832264 /nfs/dbraw/zinc/83/22/64/1068832264.db2.gz NBZRBADFCFNSLL-APWZRJJASA-N 0 0 474.584 -0.933 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 ZINC001518971608 1068832366 /nfs/dbraw/zinc/83/23/66/1068832366.db2.gz NBZRBADFCFNSLL-LPHOPBHVSA-N 0 0 474.584 -0.933 20 0 JBADRN COCC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 ZINC001518971611 1068832348 /nfs/dbraw/zinc/83/23/48/1068832348.db2.gz NBZRBADFCFNSLL-QFBILLFUSA-N 0 0 474.584 -0.933 20 0 JBADRN COCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 ZINC001518971613 1068832217 /nfs/dbraw/zinc/83/22/17/1068832217.db2.gz NBZRBADFCFNSLL-VQIMIIECSA-N 0 0 474.584 -0.933 20 0 JBADRN COCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001518972275 1068832238 /nfs/dbraw/zinc/83/22/38/1068832238.db2.gz ZUTXDXSIFQWAMH-HTAPYJJXSA-N 0 0 464.567 -0.160 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001518972276 1068832044 /nfs/dbraw/zinc/83/20/44/1068832044.db2.gz ZUTXDXSIFQWAMH-JTSKRJEESA-N 0 0 464.567 -0.160 20 0 JBADRN COCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001518972277 1068832291 /nfs/dbraw/zinc/83/22/91/1068832291.db2.gz ZUTXDXSIFQWAMH-VGOFRKELSA-N 0 0 464.567 -0.160 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001518972278 1068832193 /nfs/dbraw/zinc/83/21/93/1068832193.db2.gz ZUTXDXSIFQWAMH-VGSWGCGISA-N 0 0 464.567 -0.160 20 0 JBADRN COCC[C@@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001518972773 1068832062 /nfs/dbraw/zinc/83/20/62/1068832062.db2.gz RCJGDUZJALELHX-GAJHUEQPSA-N 0 0 472.546 -0.188 20 0 JBADRN COCC[C@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518972778 1068832321 /nfs/dbraw/zinc/83/23/21/1068832321.db2.gz RCJGDUZJALELHX-HXOBKFHXSA-N 0 0 472.546 -0.188 20 0 JBADRN COCC[C@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001518972780 1068832163 /nfs/dbraw/zinc/83/21/63/1068832163.db2.gz RCJGDUZJALELHX-SBUREZEXSA-N 0 0 472.546 -0.188 20 0 JBADRN COCC[C@@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518972785 1068832797 /nfs/dbraw/zinc/83/27/97/1068832797.db2.gz RCJGDUZJALELHX-UZUQRXQVSA-N 0 0 472.546 -0.188 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001518972869 1068832842 /nfs/dbraw/zinc/83/28/42/1068832842.db2.gz RWPBJHWIVBLOAW-DICRZQGBSA-N 0 0 486.595 -0.887 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001518972870 1068832852 /nfs/dbraw/zinc/83/28/52/1068832852.db2.gz RWPBJHWIVBLOAW-OLPIVMHESA-N 0 0 486.595 -0.887 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001518972871 1068833047 /nfs/dbraw/zinc/83/30/47/1068833047.db2.gz RWPBJHWIVBLOAW-QOIOWGMHSA-N 0 0 486.595 -0.887 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001518972872 1068832937 /nfs/dbraw/zinc/83/29/37/1068832937.db2.gz RWPBJHWIVBLOAW-ULMVMLMRSA-N 0 0 486.595 -0.887 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001518973202 1068832982 /nfs/dbraw/zinc/83/29/82/1068832982.db2.gz UPQLXBVWFKRVJE-AYOQOUSVSA-N 0 0 476.621 -0.017 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001518973207 1068832887 /nfs/dbraw/zinc/83/28/87/1068832887.db2.gz UPQLXBVWFKRVJE-MNEFBYGVSA-N 0 0 476.621 -0.017 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001518973210 1068832726 /nfs/dbraw/zinc/83/27/26/1068832726.db2.gz UPQLXBVWFKRVJE-SNRMKQJTSA-N 0 0 476.621 -0.017 20 0 JBADRN COCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001518973213 1068832823 /nfs/dbraw/zinc/83/28/23/1068832823.db2.gz UPQLXBVWFKRVJE-ZYSHUDEJSA-N 0 0 476.621 -0.017 20 0 JBADRN COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001518974350 1068833025 /nfs/dbraw/zinc/83/30/25/1068833025.db2.gz QWHSDKORSVPYCU-AVRDEDQJSA-N 0 0 477.566 -0.045 20 0 JBADRN COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001518974353 1068833078 /nfs/dbraw/zinc/83/30/78/1068833078.db2.gz QWHSDKORSVPYCU-GCJKJVERSA-N 0 0 477.566 -0.045 20 0 JBADRN COCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001518974356 1068832745 /nfs/dbraw/zinc/83/27/45/1068832745.db2.gz QWHSDKORSVPYCU-PGRDOPGGSA-N 0 0 477.566 -0.045 20 0 JBADRN COCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001518974359 1068833090 /nfs/dbraw/zinc/83/30/90/1068833090.db2.gz QWHSDKORSVPYCU-XMSQKQJNSA-N 0 0 477.566 -0.045 20 0 JBADRN COCC[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001518975878 1068833066 /nfs/dbraw/zinc/83/30/66/1068833066.db2.gz ZBSHIVJNPREZRI-GAJHUEQPSA-N 0 0 472.546 -0.166 20 0 JBADRN COCC[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518975884 1068832862 /nfs/dbraw/zinc/83/28/62/1068832862.db2.gz ZBSHIVJNPREZRI-HXOBKFHXSA-N 0 0 472.546 -0.166 20 0 JBADRN COCC[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001518975886 1068832915 /nfs/dbraw/zinc/83/29/15/1068832915.db2.gz ZBSHIVJNPREZRI-SBUREZEXSA-N 0 0 472.546 -0.166 20 0 JBADRN COCC[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518975888 1068833104 /nfs/dbraw/zinc/83/31/04/1068833104.db2.gz ZBSHIVJNPREZRI-UZUQRXQVSA-N 0 0 472.546 -0.166 20 0 JBADRN COCC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518979332 1068832963 /nfs/dbraw/zinc/83/29/63/1068832963.db2.gz GMAWPDJRTRRQLS-IVZQSRNASA-N 0 0 476.509 -0.069 20 0 JBADRN COCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001518979356 1068833004 /nfs/dbraw/zinc/83/30/04/1068833004.db2.gz GMAWPDJRTRRQLS-NYHFZMIOSA-N 0 0 476.509 -0.069 20 0 JBADRN COCC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001518979362 1068832766 /nfs/dbraw/zinc/83/27/66/1068832766.db2.gz GMAWPDJRTRRQLS-OYHNWAKOSA-N 0 0 476.509 -0.069 20 0 JBADRN COCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001518979368 1068833376 /nfs/dbraw/zinc/83/33/76/1068833376.db2.gz GMAWPDJRTRRQLS-QRQCRPRQSA-N 0 0 476.509 -0.069 20 0 JBADRN COCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001519008014 1068833703 /nfs/dbraw/zinc/83/37/03/1068833703.db2.gz CCPJDGQDPFECNO-HNNXBMFYSA-N 0 0 456.507 -0.111 20 0 JBADRN COCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001519008018 1068833405 /nfs/dbraw/zinc/83/34/05/1068833405.db2.gz CCPJDGQDPFECNO-OAHLLOKOSA-N 0 0 456.507 -0.111 20 0 JBADRN COCC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C1 ZINC001519010815 1068833687 /nfs/dbraw/zinc/83/36/87/1068833687.db2.gz NWFKJUDCPJPTHY-CABCVRRESA-N 0 0 465.598 -0.482 20 0 JBADRN COCC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C1 ZINC001519010818 1068833538 /nfs/dbraw/zinc/83/35/38/1068833538.db2.gz NWFKJUDCPJPTHY-GJZGRUSLSA-N 0 0 465.598 -0.482 20 0 JBADRN COCC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C1 ZINC001519010821 1068833354 /nfs/dbraw/zinc/83/33/54/1068833354.db2.gz NWFKJUDCPJPTHY-HUUCEWRRSA-N 0 0 465.598 -0.482 20 0 JBADRN COCC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C1 ZINC001519010824 1068833722 /nfs/dbraw/zinc/83/37/22/1068833722.db2.gz NWFKJUDCPJPTHY-LSDHHAIUSA-N 0 0 465.598 -0.482 20 0 JBADRN COCC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)C1 ZINC001519012169 1068833475 /nfs/dbraw/zinc/83/34/75/1068833475.db2.gz PCWVKFXAOKWYCW-ULQDDVLXSA-N 0 0 459.569 -0.111 20 0 JBADRN 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COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001519182225 1068841614 /nfs/dbraw/zinc/84/16/14/1068841614.db2.gz GVMBZHITUIWJLG-MRXNPFEDSA-N 0 0 456.569 -0.248 20 0 JBADRN COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001519182326 1068841660 /nfs/dbraw/zinc/84/16/60/1068841660.db2.gz JJQHVTXMPGRDMC-INIZCTEOSA-N 0 0 456.569 -0.151 20 0 JBADRN COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001519182327 1068841446 /nfs/dbraw/zinc/84/14/46/1068841446.db2.gz JJQHVTXMPGRDMC-MRXNPFEDSA-N 0 0 456.569 -0.151 20 0 JBADRN COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001519183348 1068841693 /nfs/dbraw/zinc/84/16/93/1068841693.db2.gz SKHVNHOCYYZMNK-CVEARBPZSA-N 0 0 458.585 -0.002 20 0 JBADRN COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001519183350 1068841432 /nfs/dbraw/zinc/84/14/32/1068841432.db2.gz SKHVNHOCYYZMNK-HOTGVXAUSA-N 0 0 458.585 -0.002 20 0 JBADRN 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COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001519183877 1068841711 /nfs/dbraw/zinc/84/17/11/1068841711.db2.gz YSUWUTKPQCOUIP-ZDUSSCGKSA-N 0 0 456.491 -0.058 20 0 JBADRN COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001519184745 1068841563 /nfs/dbraw/zinc/84/15/63/1068841563.db2.gz CLQMYBZUZQIWIG-HKUYNNGSSA-N 0 0 452.556 -0.371 20 0 JBADRN COCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)cn1 ZINC001519184819 1068841629 /nfs/dbraw/zinc/84/16/29/1068841629.db2.gz DHSQANVAWSOFIH-AWEZNQCLSA-N 0 0 466.568 -0.410 20 0 JBADRN COCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)cn1 ZINC001519184824 1068841507 /nfs/dbraw/zinc/84/15/07/1068841507.db2.gz DHSQANVAWSOFIH-CQSZACIVSA-N 0 0 466.568 -0.410 20 0 JBADRN COCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cn1 ZINC001519185380 1068841580 /nfs/dbraw/zinc/84/15/80/1068841580.db2.gz NUOWJWUAUSSBFW-KRWDZBQOSA-N 0 0 480.595 -0.019 20 0 JBADRN COCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cn1 ZINC001519185381 1068841359 /nfs/dbraw/zinc/84/13/59/1068841359.db2.gz NUOWJWUAUSSBFW-QGZVFWFLSA-N 0 0 480.595 -0.019 20 0 JBADRN COCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)cn1 ZINC001519186825 1068841984 /nfs/dbraw/zinc/84/19/84/1068841984.db2.gz WNBXLCAICADUHH-GDBMZVCRSA-N 0 0 451.553 -0.262 20 0 JBADRN COCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC001519186829 1068842204 /nfs/dbraw/zinc/84/22/04/1068842204.db2.gz WNBXLCAICADUHH-GOEBONIOSA-N 0 0 451.553 -0.262 20 0 JBADRN COCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC001519186834 1068842002 /nfs/dbraw/zinc/84/20/02/1068842002.db2.gz WNBXLCAICADUHH-HOCLYGCPSA-N 0 0 451.553 -0.262 20 0 JBADRN COCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)cn1 ZINC001519186838 1068841896 /nfs/dbraw/zinc/84/18/96/1068841896.db2.gz WNBXLCAICADUHH-ZBFHGGJFSA-N 0 0 451.553 -0.262 20 0 JBADRN 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COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC001519189462 1068842142 /nfs/dbraw/zinc/84/21/42/1068842142.db2.gz FOVBQNOJOOLQTN-LVQVYYBASA-N 0 0 458.585 -0.003 20 0 JBADRN COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC001519189463 1068841871 /nfs/dbraw/zinc/84/18/71/1068841871.db2.gz FOVBQNOJOOLQTN-YHUYYLMFSA-N 0 0 458.585 -0.003 20 0 JBADRN COCCN1C[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]3CCNC(=O)[C@H]3C2)CC1=O ZINC001519189475 1068842171 /nfs/dbraw/zinc/84/21/71/1068842171.db2.gz FYJQGHQZVMQRHR-BBWFWOEESA-N 0 0 461.567 -0.126 20 0 JBADRN COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]3CCNC(=O)[C@H]3C2)CC1=O ZINC001519189476 1068842104 /nfs/dbraw/zinc/84/21/04/1068842104.db2.gz FYJQGHQZVMQRHR-ZACQAIPSSA-N 0 0 461.567 -0.126 20 0 JBADRN COCCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)CC1=O ZINC001519190599 1068842157 /nfs/dbraw/zinc/84/21/57/1068842157.db2.gz DFLHUYPURNKLGF-UHFFFAOYSA-N 0 0 456.507 -0.253 20 0 JBADRN COCCN1C[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)COC)CC2)CC1=O ZINC001519191547 1068841970 /nfs/dbraw/zinc/84/19/70/1068841970.db2.gz AZXQKWWKYINYLX-DLBZAZTESA-N 0 0 450.540 -0.081 20 0 JBADRN COCCN1C[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)COC)CC2)CC1=O ZINC001519191548 1068842738 /nfs/dbraw/zinc/84/27/38/1068842738.db2.gz AZXQKWWKYINYLX-IAGOWNOFSA-N 0 0 450.540 -0.081 20 0 JBADRN COCCN1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1=O ZINC001519191644 1068842521 /nfs/dbraw/zinc/84/25/21/1068842521.db2.gz NCTGVARRCQAMMX-DLBZAZTESA-N 0 0 497.622 -0.521 20 0 JBADRN COCCN1C[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1=O ZINC001519191654 1068842600 /nfs/dbraw/zinc/84/26/00/1068842600.db2.gz NCTGVARRCQAMMX-IRXDYDNUSA-N 0 0 497.622 -0.521 20 0 JBADRN COCCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1=O ZINC001519192013 1068842458 /nfs/dbraw/zinc/84/24/58/1068842458.db2.gz BZALPLDPASSFJK-HNNXBMFYSA-N 0 0 456.569 -0.464 20 0 JBADRN COCCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCS(=O)(=O)C2)CC1=O ZINC001519192014 1068842579 /nfs/dbraw/zinc/84/25/79/1068842579.db2.gz BZALPLDPASSFJK-OAHLLOKOSA-N 0 0 456.569 -0.464 20 0 JBADRN COCCN1C[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)CC1=O ZINC001519192382 1068842702 /nfs/dbraw/zinc/84/27/02/1068842702.db2.gz RDTDRFCBSDNGMT-IBGZPJMESA-N 0 0 477.610 -0.123 20 0 JBADRN COCCN1C[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)CC1=O ZINC001519192383 1068842479 /nfs/dbraw/zinc/84/24/79/1068842479.db2.gz RDTDRFCBSDNGMT-LJQANCHMSA-N 0 0 477.610 -0.123 20 0 JBADRN COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNS(C)(=O)=O)CC1=O ZINC001519192456 1068842779 /nfs/dbraw/zinc/84/27/79/1068842779.db2.gz LHJJFBDDBUQUKN-UHFFFAOYSA-N 0 0 493.590 -0.009 20 0 JBADRN COCCN1C[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1=O ZINC001519192899 1068842650 /nfs/dbraw/zinc/84/26/50/1068842650.db2.gz LANGJAACFDDQPE-DLBZAZTESA-N 0 0 494.622 -0.061 20 0 JBADRN 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ZINC001519217491 1068846121 /nfs/dbraw/zinc/84/61/21/1068846121.db2.gz BSTNNYXDMRXZOE-SFHVURJKSA-N 0 0 470.640 -0.205 20 0 JBADRN COCCN1C[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(S(C)(=O)=O)CC2)CC1=O ZINC001519217906 1068845799 /nfs/dbraw/zinc/84/57/99/1068845799.db2.gz DUWXDFCGFGAZIP-INIZCTEOSA-N 0 0 482.607 -0.091 20 0 JBADRN COCCN1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(S(C)(=O)=O)CC2)CC1=O ZINC001519217911 1068845929 /nfs/dbraw/zinc/84/59/29/1068845929.db2.gz DUWXDFCGFGAZIP-MRXNPFEDSA-N 0 0 482.607 -0.091 20 0 JBADRN COCCN1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001519218170 1068845988 /nfs/dbraw/zinc/84/59/88/1068845988.db2.gz GSPYBZFQWIRSRB-UHFFFAOYSA-N 0 0 464.592 -0.028 20 0 JBADRN COCCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)CC1=O ZINC001519218367 1068846025 /nfs/dbraw/zinc/84/60/25/1068846025.db2.gz FFYIOVSPEDTNIE-INIZCTEOSA-N 0 0 456.569 -0.294 20 0 JBADRN COCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)CC1=O ZINC001519218383 1068846040 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/nfs/dbraw/zinc/84/66/82/1068846682.db2.gz HZADIZWYDXZXPB-IRXDYDNUSA-N 0 0 499.638 -0.706 20 0 JBADRN COCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001519219148 1068846338 /nfs/dbraw/zinc/84/63/38/1068846338.db2.gz HZADIZWYDXZXPB-SJORKVTESA-N 0 0 499.638 -0.706 20 0 JBADRN COCCN1C[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1=O ZINC001519219521 1068846735 /nfs/dbraw/zinc/84/67/35/1068846735.db2.gz FYHYBDSQWGTCJL-AEFFLSMTSA-N 0 0 461.567 -0.048 20 0 JBADRN COCCN1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1=O ZINC001519219522 1068846630 /nfs/dbraw/zinc/84/66/30/1068846630.db2.gz FYHYBDSQWGTCJL-FUHWJXTLSA-N 0 0 461.567 -0.048 20 0 JBADRN COCCN1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1=O ZINC001519219523 1068846458 /nfs/dbraw/zinc/84/64/58/1068846458.db2.gz FYHYBDSQWGTCJL-SJLPKXTDSA-N 0 0 461.567 -0.048 20 0 JBADRN COCCN1C[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1=O ZINC001519219524 1068846430 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COCCO[C@@H](C)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC1(C(N)=O)CCOCC1 ZINC001519331465 1068856416 /nfs/dbraw/zinc/85/64/16/1068856416.db2.gz VUQYFILAPOZIPN-LSDHHAIUSA-N 0 0 452.512 -0.075 20 0 JBADRN COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN1CCCS1(=O)=O ZINC001519332411 1068856394 /nfs/dbraw/zinc/85/63/94/1068856394.db2.gz XHUSLCLIQJMPDT-HNNXBMFYSA-N 0 0 480.613 -0.881 20 0 JBADRN COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN1CCCS1(=O)=O ZINC001519332417 1068856554 /nfs/dbraw/zinc/85/65/54/1068856554.db2.gz XHUSLCLIQJMPDT-OAHLLOKOSA-N 0 0 480.613 -0.881 20 0 JBADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H]1OCCC1(C)C ZINC001519332423 1068856381 /nfs/dbraw/zinc/85/63/81/1068856381.db2.gz XKOPIBHHYQSTAL-BZUAXINKSA-N 0 0 450.540 -0.036 20 0 JBADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H]1OCCC1(C)C ZINC001519332433 1068856480 /nfs/dbraw/zinc/85/64/80/1068856480.db2.gz XKOPIBHHYQSTAL-OAGGEKHMSA-N 0 0 450.540 -0.036 20 0 JBADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H]1OCCC1(C)C ZINC001519332439 1068856425 /nfs/dbraw/zinc/85/64/25/1068856425.db2.gz XKOPIBHHYQSTAL-OWCLPIDISA-N 0 0 450.540 -0.036 20 0 JBADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H]1OCCC1(C)C ZINC001519332449 1068856407 /nfs/dbraw/zinc/85/64/07/1068856407.db2.gz XKOPIBHHYQSTAL-PMPSAXMXSA-N 0 0 450.540 -0.036 20 0 JBADRN COCCOC1(Cn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CCOCC1 ZINC001519339050 1068856488 /nfs/dbraw/zinc/85/64/88/1068856488.db2.gz AEWSDUCQRINMLX-INIZCTEOSA-N 0 0 450.540 -0.239 20 0 JBADRN COCCOC1(Cn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CCOCC1 ZINC001519339052 1068856502 /nfs/dbraw/zinc/85/65/02/1068856502.db2.gz AEWSDUCQRINMLX-MRXNPFEDSA-N 0 0 450.540 -0.239 20 0 JBADRN COCCOC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)CCOCC1 ZINC001519343568 1068856465 /nfs/dbraw/zinc/85/64/65/1068856465.db2.gz DWDWVACEZOMDAF-HNNXBMFYSA-N 0 0 457.553 -0.671 20 0 JBADRN COCCOC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)CCOCC1 ZINC001519343569 1068856577 /nfs/dbraw/zinc/85/65/77/1068856577.db2.gz DWDWVACEZOMDAF-OAHLLOKOSA-N 0 0 457.553 -0.671 20 0 JBADRN COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 ZINC001519358373 1068856509 /nfs/dbraw/zinc/85/65/09/1068856509.db2.gz ZGSRFTGVQOPMBR-KRWDZBQOSA-N 0 0 473.534 -0.007 20 0 JBADRN COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 ZINC001519358374 1068856547 /nfs/dbraw/zinc/85/65/47/1068856547.db2.gz ZGSRFTGVQOPMBR-QGZVFWFLSA-N 0 0 473.534 -0.007 20 0 JBADRN COCCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C1 ZINC001519362790 1068856448 /nfs/dbraw/zinc/85/64/48/1068856448.db2.gz ROEVKQXKEZGIQN-CVEARBPZSA-N 0 0 456.569 -0.104 20 0 JBADRN COCCO[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C1 ZINC001519362791 1068857232 /nfs/dbraw/zinc/85/72/32/1068857232.db2.gz ROEVKQXKEZGIQN-HOTGVXAUSA-N 0 0 456.569 -0.104 20 0 JBADRN COCCO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C1 ZINC001519362792 1068857101 /nfs/dbraw/zinc/85/71/01/1068857101.db2.gz ROEVKQXKEZGIQN-HZPDHXFCSA-N 0 0 456.569 -0.104 20 0 JBADRN COCCO[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C1 ZINC001519362793 1068857010 /nfs/dbraw/zinc/85/70/10/1068857010.db2.gz ROEVKQXKEZGIQN-JKSUJKDBSA-N 0 0 456.569 -0.104 20 0 JBADRN COCCOC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001519364079 1068857212 /nfs/dbraw/zinc/85/72/12/1068857212.db2.gz OCPJSIYECDVRBA-CABCVRRESA-N 0 0 479.625 -0.045 20 0 JBADRN COCCOC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001519364082 1068856971 /nfs/dbraw/zinc/85/69/71/1068856971.db2.gz OCPJSIYECDVRBA-GJZGRUSLSA-N 0 0 479.625 -0.045 20 0 JBADRN COCCOC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001519364083 1068857150 /nfs/dbraw/zinc/85/71/50/1068857150.db2.gz OCPJSIYECDVRBA-HUUCEWRRSA-N 0 0 479.625 -0.045 20 0 JBADRN COCCOC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001519364085 1068856912 /nfs/dbraw/zinc/85/69/12/1068856912.db2.gz OCPJSIYECDVRBA-LSDHHAIUSA-N 0 0 479.625 -0.045 20 0 JBADRN COCCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C1 ZINC001519365425 1068857026 /nfs/dbraw/zinc/85/70/26/1068857026.db2.gz JJZWIVPKWDXUTI-CVEARBPZSA-N 0 0 479.625 -0.297 20 0 JBADRN COCCO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C1 ZINC001519365426 1068856891 /nfs/dbraw/zinc/85/68/91/1068856891.db2.gz JJZWIVPKWDXUTI-HOTGVXAUSA-N 0 0 479.625 -0.297 20 0 JBADRN COCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C1 ZINC001519365427 1068857222 /nfs/dbraw/zinc/85/72/22/1068857222.db2.gz JJZWIVPKWDXUTI-HZPDHXFCSA-N 0 0 479.625 -0.297 20 0 JBADRN COCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C1 ZINC001519365428 1068857086 /nfs/dbraw/zinc/85/70/86/1068857086.db2.gz JJZWIVPKWDXUTI-JKSUJKDBSA-N 0 0 479.625 -0.297 20 0 JBADRN COCCOC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001519382521 1068857066 /nfs/dbraw/zinc/85/70/66/1068857066.db2.gz PNDJBLLYYOTNGH-NVXWUHKLSA-N 0 0 486.595 -0.479 20 0 JBADRN COCCOC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001519382524 1068857137 /nfs/dbraw/zinc/85/71/37/1068857137.db2.gz PNDJBLLYYOTNGH-WBVHZDCISA-N 0 0 486.595 -0.479 20 0 JBADRN COCCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 ZINC001519382607 1068856987 /nfs/dbraw/zinc/85/69/87/1068856987.db2.gz QEXQJIXPTXZYIE-CVEARBPZSA-N 0 0 459.569 -0.232 20 0 JBADRN COCCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 ZINC001519382612 1068857197 /nfs/dbraw/zinc/85/71/97/1068857197.db2.gz QEXQJIXPTXZYIE-HOTGVXAUSA-N 0 0 459.569 -0.232 20 0 JBADRN COCCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 ZINC001519382615 1068857118 /nfs/dbraw/zinc/85/71/18/1068857118.db2.gz QEXQJIXPTXZYIE-HZPDHXFCSA-N 0 0 459.569 -0.232 20 0 JBADRN COCCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 ZINC001519382618 1068857557 /nfs/dbraw/zinc/85/75/57/1068857557.db2.gz QEXQJIXPTXZYIE-JKSUJKDBSA-N 0 0 459.569 -0.232 20 0 JBADRN COCCOC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C1 ZINC001519385787 1068857950 /nfs/dbraw/zinc/85/79/50/1068857950.db2.gz AGOGSNIWXDLUSW-CVEARBPZSA-N 0 0 456.569 -0.246 20 0 JBADRN COCCOC[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C1 ZINC001519385789 1068857768 /nfs/dbraw/zinc/85/77/68/1068857768.db2.gz AGOGSNIWXDLUSW-HOTGVXAUSA-N 0 0 456.569 -0.246 20 0 JBADRN COCCOC[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C1 ZINC001519385791 1068857616 /nfs/dbraw/zinc/85/76/16/1068857616.db2.gz AGOGSNIWXDLUSW-HZPDHXFCSA-N 0 0 456.569 -0.246 20 0 JBADRN COCCOC[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C1 ZINC001519385794 1068857894 /nfs/dbraw/zinc/85/78/94/1068857894.db2.gz AGOGSNIWXDLUSW-JKSUJKDBSA-N 0 0 456.569 -0.246 20 0 JBADRN COCCOC[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C1 ZINC001519386885 1068857934 /nfs/dbraw/zinc/85/79/34/1068857934.db2.gz GFOSUWKUJQYRIT-MSOLQXFVSA-N 0 0 485.607 -0.082 20 0 JBADRN COCCOC[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C1 ZINC001519386898 1068857808 /nfs/dbraw/zinc/85/78/08/1068857808.db2.gz GFOSUWKUJQYRIT-QZTJIDSGSA-N 0 0 485.607 -0.082 20 0 JBADRN COCCOC[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C1 ZINC001519386900 1068857573 /nfs/dbraw/zinc/85/75/73/1068857573.db2.gz GFOSUWKUJQYRIT-ROUUACIJSA-N 0 0 485.607 -0.082 20 0 JBADRN COCCOC[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C1 ZINC001519386902 1068857872 /nfs/dbraw/zinc/85/78/72/1068857872.db2.gz GFOSUWKUJQYRIT-ZWKOTPCHSA-N 0 0 485.607 -0.082 20 0 JBADRN COCCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001519394645 1068857831 /nfs/dbraw/zinc/85/78/31/1068857831.db2.gz QVQWREBFNQJBLS-UHFFFAOYSA-N 0 0 491.593 -0.162 20 0 JBADRN COCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001519395771 1068857522 /nfs/dbraw/zinc/85/75/22/1068857522.db2.gz DKUHVLSEXQPHMF-INIZCTEOSA-N 0 0 474.518 -0.228 20 0 JBADRN COCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001519395832 1068857732 /nfs/dbraw/zinc/85/77/32/1068857732.db2.gz DKUHVLSEXQPHMF-MRXNPFEDSA-N 0 0 474.518 -0.228 20 0 JBADRN COCCOCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001519396888 1068857790 /nfs/dbraw/zinc/85/77/90/1068857790.db2.gz XBEJRYCDQOABLY-INIZCTEOSA-N 0 0 463.564 -0.166 20 0 JBADRN COCCOCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001519396892 1068857852 /nfs/dbraw/zinc/85/78/52/1068857852.db2.gz XBEJRYCDQOABLY-MRXNPFEDSA-N 0 0 463.564 -0.166 20 0 JBADRN COCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001519400324 1068857750 /nfs/dbraw/zinc/85/77/50/1068857750.db2.gz VXORXZMVHRJADY-UHFFFAOYSA-N 0 0 465.555 -0.650 20 0 JBADRN COCCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001519401837 1068857715 /nfs/dbraw/zinc/85/77/15/1068857715.db2.gz YYBCEMNJEGTTKG-DLBZAZTESA-N 0 0 486.595 -0.525 20 0 JBADRN COCCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001519401839 1068857595 /nfs/dbraw/zinc/85/75/95/1068857595.db2.gz YYBCEMNJEGTTKG-IAGOWNOFSA-N 0 0 486.595 -0.525 20 0 JBADRN COCCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001519401841 1068857913 /nfs/dbraw/zinc/85/79/13/1068857913.db2.gz YYBCEMNJEGTTKG-IRXDYDNUSA-N 0 0 486.595 -0.525 20 0 JBADRN COCCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001519401843 1068858371 /nfs/dbraw/zinc/85/83/71/1068858371.db2.gz YYBCEMNJEGTTKG-SJORKVTESA-N 0 0 486.595 -0.525 20 0 JBADRN COCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001519401896 1068858429 /nfs/dbraw/zinc/85/84/29/1068858429.db2.gz KEFRVTDASHKCNL-UHFFFAOYSA-N 0 0 460.539 -0.387 20 0 JBADRN COCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001519402204 1068858251 /nfs/dbraw/zinc/85/82/51/1068858251.db2.gz RWUQMNSPYALHQO-AWEZNQCLSA-N 0 0 496.366 -0.144 20 0 JBADRN COCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001519402205 1068858463 /nfs/dbraw/zinc/85/84/63/1068858463.db2.gz RWUQMNSPYALHQO-CQSZACIVSA-N 0 0 496.366 -0.144 20 0 JBADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001519402877 1068858187 /nfs/dbraw/zinc/85/81/87/1068858187.db2.gz ASJJFWLLXZIOSO-DLBZAZTESA-N 0 0 471.580 -0.329 20 0 JBADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001519402878 1068858449 /nfs/dbraw/zinc/85/84/49/1068858449.db2.gz ASJJFWLLXZIOSO-IAGOWNOFSA-N 0 0 471.580 -0.329 20 0 JBADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001519402879 1068858307 /nfs/dbraw/zinc/85/83/07/1068858307.db2.gz ASJJFWLLXZIOSO-IRXDYDNUSA-N 0 0 471.580 -0.329 20 0 JBADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001519402880 1068858211 /nfs/dbraw/zinc/85/82/11/1068858211.db2.gz ASJJFWLLXZIOSO-SJORKVTESA-N 0 0 471.580 -0.329 20 0 JBADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001519403964 1068858166 /nfs/dbraw/zinc/85/81/66/1068858166.db2.gz GZQZOMJXAZIJHO-CRAIPNDOSA-N 0 0 462.594 -0.142 20 0 JBADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001519403965 1068858389 /nfs/dbraw/zinc/85/83/89/1068858389.db2.gz GZQZOMJXAZIJHO-MAUKXSAKSA-N 0 0 462.594 -0.142 20 0 JBADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001519403966 1068858439 /nfs/dbraw/zinc/85/84/39/1068858439.db2.gz GZQZOMJXAZIJHO-QAPCUYQASA-N 0 0 462.594 -0.142 20 0 JBADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001519403967 1068858291 /nfs/dbraw/zinc/85/82/91/1068858291.db2.gz GZQZOMJXAZIJHO-YJBOKZPZSA-N 0 0 462.594 -0.142 20 0 JBADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001519404433 1068858230 /nfs/dbraw/zinc/85/82/30/1068858230.db2.gz JPKVZSJBQICSDY-GOSISDBHSA-N 0 0 484.623 -0.412 20 0 JBADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001519404434 1068858339 /nfs/dbraw/zinc/85/83/39/1068858339.db2.gz JPKVZSJBQICSDY-SFHVURJKSA-N 0 0 484.623 -0.412 20 0 JBADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001519404495 1068858322 /nfs/dbraw/zinc/85/83/22/1068858322.db2.gz KAYFNBMERWVLSX-CABCVRRESA-N 0 0 450.583 -0.143 20 0 JBADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001519404497 1068858382 /nfs/dbraw/zinc/85/83/82/1068858382.db2.gz KAYFNBMERWVLSX-GJZGRUSLSA-N 0 0 450.583 -0.143 20 0 JBADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001519404498 1068858274 /nfs/dbraw/zinc/85/82/74/1068858274.db2.gz KAYFNBMERWVLSX-HUUCEWRRSA-N 0 0 450.583 -0.143 20 0 JBADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001519404500 1068858416 /nfs/dbraw/zinc/85/84/16/1068858416.db2.gz KAYFNBMERWVLSX-LSDHHAIUSA-N 0 0 450.583 -0.143 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC(N)=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001519404911 1068858402 /nfs/dbraw/zinc/85/84/02/1068858402.db2.gz PBEYPHOQOZVKJV-AESZEHBQSA-N 0 0 458.585 -0.016 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC(N)=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001519404914 1068858357 /nfs/dbraw/zinc/85/83/57/1068858357.db2.gz PBEYPHOQOZVKJV-AIANPOQGSA-N 0 0 458.585 -0.016 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC(N)=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001519404918 1068858966 /nfs/dbraw/zinc/85/89/66/1068858966.db2.gz PBEYPHOQOZVKJV-IVSAIRAKSA-N 0 0 458.585 -0.016 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC(N)=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001519404921 1068858783 /nfs/dbraw/zinc/85/87/83/1068858783.db2.gz PBEYPHOQOZVKJV-JKQORVJESA-N 0 0 458.585 -0.016 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CC(=O)N(C)C ZINC001519406058 1068858828 /nfs/dbraw/zinc/85/88/28/1068858828.db2.gz IJEFYZUVLXCOCQ-YOEHRIQHSA-N 0 0 458.585 -0.050 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CCN1CCCS1(=O)=O ZINC001519406863 1068858878 /nfs/dbraw/zinc/85/88/78/1068858878.db2.gz YAMASNLXDONDGD-JYJNAYRXSA-N 0 0 479.625 -0.093 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CCN1CCCS1(=O)=O ZINC001519406864 1068858802 /nfs/dbraw/zinc/85/88/02/1068858802.db2.gz YAMASNLXDONDGD-PMPSAXMXSA-N 0 0 479.625 -0.093 20 0 JBADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001519407167 1068858790 /nfs/dbraw/zinc/85/87/90/1068858790.db2.gz SJFDDNBAVNRZFS-DLBZAZTESA-N 0 0 491.636 -0.153 20 0 JBADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001519407170 1068858734 /nfs/dbraw/zinc/85/87/34/1068858734.db2.gz SJFDDNBAVNRZFS-IAGOWNOFSA-N 0 0 491.636 -0.153 20 0 JBADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001519407174 1068858842 /nfs/dbraw/zinc/85/88/42/1068858842.db2.gz SJFDDNBAVNRZFS-IRXDYDNUSA-N 0 0 491.636 -0.153 20 0 JBADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001519407177 1068858690 /nfs/dbraw/zinc/85/86/90/1068858690.db2.gz SJFDDNBAVNRZFS-SJORKVTESA-N 0 0 491.636 -0.153 20 0 JBADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001519408506 1068858949 /nfs/dbraw/zinc/85/89/49/1068858949.db2.gz XUBMMNRHNBGVES-HNNXBMFYSA-N 0 0 479.625 -0.297 20 0 JBADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001519408511 1068858913 /nfs/dbraw/zinc/85/89/13/1068858913.db2.gz XUBMMNRHNBGVES-OAHLLOKOSA-N 0 0 479.625 -0.297 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 ZINC001519409130 1068858816 /nfs/dbraw/zinc/85/88/16/1068858816.db2.gz ZSGOPMAJJXSHTQ-BQFCYCMXSA-N 0 0 471.580 -0.126 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 ZINC001519409134 1068858746 /nfs/dbraw/zinc/85/87/46/1068858746.db2.gz ZSGOPMAJJXSHTQ-JZXOWHBKSA-N 0 0 471.580 -0.126 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(=O)N2CCOCC2)n1CC(=O)NCC(F)(F)F ZINC001519409648 1068858760 /nfs/dbraw/zinc/85/87/60/1068858760.db2.gz NYRDLVPFZSCSRC-BBRMVZONSA-N 0 0 478.472 -0.024 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(=O)N2CCOCC2)n1CCNC(=O)c1ccn[nH]1 ZINC001519409863 1068858931 /nfs/dbraw/zinc/85/89/31/1068858931.db2.gz QODOVRIEVWOPBC-YJBOKZPZSA-N 0 0 476.538 -0.550 20 0 JBADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001519412776 1068858710 /nfs/dbraw/zinc/85/87/10/1068858710.db2.gz QYSKVHUDDRCKAM-INIZCTEOSA-N 0 0 472.568 -0.915 20 0 JBADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001519412802 1068858894 /nfs/dbraw/zinc/85/88/94/1068858894.db2.gz QYSKVHUDDRCKAM-MRXNPFEDSA-N 0 0 472.568 -0.915 20 0 JBADRN COCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001519413173 1068858771 /nfs/dbraw/zinc/85/87/71/1068858771.db2.gz KQELOXYTEVMXOB-UHFFFAOYSA-N 0 0 465.555 -0.763 20 0 JBADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001519413351 1068858859 /nfs/dbraw/zinc/85/88/59/1068858859.db2.gz UDRYWTMCTATVJY-IKGGRYGDSA-N 0 0 486.595 -0.764 20 0 JBADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001519413355 1068858723 /nfs/dbraw/zinc/85/87/23/1068858723.db2.gz UDRYWTMCTATVJY-IXDOHACOSA-N 0 0 486.595 -0.764 20 0 JBADRN COCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001519413406 1068859338 /nfs/dbraw/zinc/85/93/38/1068859338.db2.gz UKOWSYIHISNCNC-UHFFFAOYSA-N 0 0 457.535 -0.146 20 0 JBADRN COCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001519413931 1068859464 /nfs/dbraw/zinc/85/94/64/1068859464.db2.gz VKIWHJNLHQOKKB-UHFFFAOYSA-N 0 0 487.561 -0.566 20 0 JBADRN COCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001519415468 1068859435 /nfs/dbraw/zinc/85/94/35/1068859435.db2.gz RXWQNVQVFSHBQS-UHFFFAOYSA-N 0 0 474.566 -0.270 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCS(C)(=O)=O)n1CCN1CCCS1(=O)=O ZINC001519418323 1068859380 /nfs/dbraw/zinc/85/93/80/1068859380.db2.gz FLVGNJJFWDKRLN-GJZGRUSLSA-N 0 0 465.598 -0.482 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCN2CCOCC2)n1CCN1CCN(C(C)=O)CC1 ZINC001519419194 1068859182 /nfs/dbraw/zinc/85/91/82/1068859182.db2.gz LQLSEEKMJOPSHU-SFTDATJTSA-N 0 0 479.626 -0.065 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 ZINC001519421219 1068859224 /nfs/dbraw/zinc/85/92/24/1068859224.db2.gz ZEDJBUHYDOKBLT-ILXRZTDVSA-N 0 0 450.583 -0.082 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001519421220 1068859493 /nfs/dbraw/zinc/85/94/93/1068859493.db2.gz ZEDJBUHYDOKBLT-KKUMJFAQSA-N 0 0 450.583 -0.082 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCN1CCN(C(C)=O)CC1 ZINC001519423467 1068859408 /nfs/dbraw/zinc/85/94/08/1068859408.db2.gz IAIITYJZGMAMSA-KPFFTGBYSA-N 0 0 463.583 -0.167 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCN1CCN(C(C)=O)CC1 ZINC001519423498 1068859246 /nfs/dbraw/zinc/85/92/46/1068859246.db2.gz IAIITYJZGMAMSA-QRFRQXIXSA-N 0 0 463.583 -0.167 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001519424648 1068859517 /nfs/dbraw/zinc/85/95/17/1068859517.db2.gz MADWILIRNPGLPA-VYDXJSESSA-N 0 0 450.540 -0.049 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001519424650 1068859286 /nfs/dbraw/zinc/85/92/86/1068859286.db2.gz MADWILIRNPGLPA-ZOBUZTSGSA-N 0 0 450.540 -0.049 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCC(=O)N1CCOCC1 ZINC001519426625 1068859352 /nfs/dbraw/zinc/85/93/52/1068859352.db2.gz XCBCUXSOEOQBCD-BXWFABGCSA-N 0 0 450.540 -0.082 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCC(=O)N1CCOCC1 ZINC001519426626 1068859451 /nfs/dbraw/zinc/85/94/51/1068859451.db2.gz XCBCUXSOEOQBCD-GJYPPUQNSA-N 0 0 450.540 -0.082 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001519428085 1068859150 /nfs/dbraw/zinc/85/91/50/1068859150.db2.gz ZCRQPCLZDWHKPS-JONQDZQNSA-N 0 0 456.569 -0.262 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001519428108 1068859168 /nfs/dbraw/zinc/85/91/68/1068859168.db2.gz ZCRQPCLZDWHKPS-QXSJWSMHSA-N 0 0 456.569 -0.262 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCNS(C)(=O)=O ZINC001519428422 1068859322 /nfs/dbraw/zinc/85/93/22/1068859322.db2.gz CGJYXKOVJMRUAI-ZFWWWQNUSA-N 0 0 465.598 -0.435 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001519429370 1068859396 /nfs/dbraw/zinc/85/93/96/1068859396.db2.gz IGXIMQLUEBRZCW-DKICVRJWSA-N 0 0 470.596 -0.002 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001519429373 1068859479 /nfs/dbraw/zinc/85/94/79/1068859479.db2.gz IGXIMQLUEBRZCW-UVFQYZLESA-N 0 0 470.596 -0.002 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCS(=O)(=O)N(C)C ZINC001519429766 1068859366 /nfs/dbraw/zinc/85/93/66/1068859366.db2.gz JRRCROYRHIOCRF-KKUMJFAQSA-N 0 0 465.598 -0.483 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCS(=O)(=O)N(C)C ZINC001519429769 1068859305 /nfs/dbraw/zinc/85/93/05/1068859305.db2.gz JRRCROYRHIOCRF-ZNMIVQPWSA-N 0 0 465.598 -0.483 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCS(C)(=O)=O ZINC001519430729 1068860082 /nfs/dbraw/zinc/86/00/82/1068860082.db2.gz PBURBFSYHDKABQ-ZFWWWQNUSA-N 0 0 465.598 -0.435 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCS(C)(=O)=O ZINC001519435021 1068860045 /nfs/dbraw/zinc/86/00/45/1068860045.db2.gz BTKSWGIOSAGXHF-HOCLYGCPSA-N 0 0 479.625 -0.093 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001519440520 1068859994 /nfs/dbraw/zinc/85/99/94/1068859994.db2.gz DBQWFZHTQLRETN-NCOADZHNSA-N 0 0 470.596 -0.050 20 0 JBADRN 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JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC(=O)N(C)C ZINC001519441665 1068859950 /nfs/dbraw/zinc/85/99/50/1068859950.db2.gz INNZJXSTGLETFE-BXWFABGCSA-N 0 0 463.583 -0.121 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC(=O)N(C)C ZINC001519441667 1068859825 /nfs/dbraw/zinc/85/98/25/1068859825.db2.gz INNZJXSTGLETFE-GJYPPUQNSA-N 0 0 463.583 -0.121 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001519441883 1068859935 /nfs/dbraw/zinc/85/99/35/1068859935.db2.gz IOLJOCXVXNGDRA-DWKCODDLSA-N 0 0 494.593 -0.285 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001519441893 1068860030 /nfs/dbraw/zinc/86/00/30/1068860030.db2.gz IOLJOCXVXNGDRA-ORQYLMBXSA-N 0 0 494.593 -0.285 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001519441898 1068859876 /nfs/dbraw/zinc/85/98/76/1068859876.db2.gz IOLJOCXVXNGDRA-SCYDXJQRSA-N 0 0 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C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1O ZINC001520639459 1068880742 /nfs/dbraw/zinc/88/07/42/1068880742.db2.gz BVBRUPVKSWIRLG-QXSJWSMHSA-N 0 0 461.610 -0.189 20 0 JBADRN C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)N2CCSCC2)C[C@@H]1O ZINC001520645308 1068880717 /nfs/dbraw/zinc/88/07/17/1068880717.db2.gz GDJWTQZCDDKNRE-CVEARBPZSA-N 0 0 472.637 -0.014 20 0 JBADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001520660652 1068880829 /nfs/dbraw/zinc/88/08/29/1068880829.db2.gz WWHDGPJISKEJGW-FPCVCCKLSA-N 0 0 456.569 -0.262 20 0 JBADRN C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001520660654 1068881491 /nfs/dbraw/zinc/88/14/91/1068881491.db2.gz WWHDGPJISKEJGW-KLHDSHLOSA-N 0 0 456.569 -0.262 20 0 JBADRN C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001520660656 1068881627 /nfs/dbraw/zinc/88/16/27/1068881627.db2.gz WWHDGPJISKEJGW-QKPAOTATSA-N 0 0 456.569 -0.262 20 0 JBADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001520660658 1068881745 /nfs/dbraw/zinc/88/17/45/1068881745.db2.gz WWHDGPJISKEJGW-QXSJWSMHSA-N 0 0 456.569 -0.262 20 0 JBADRN C/C(=C/C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC001520696950 1068881754 /nfs/dbraw/zinc/88/17/54/1068881754.db2.gz XBKRFAWEQUVUIU-FBCVODPVSA-N 0 0 478.637 -0.207 20 0 JBADRN C/C(=C\C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC001520696951 1068881504 /nfs/dbraw/zinc/88/15/04/1068881504.db2.gz XBKRFAWEQUVUIU-ODQHEUEKSA-N 0 0 478.637 -0.207 20 0 JBADRN C/C(=C\C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC001520696952 1068881348 /nfs/dbraw/zinc/88/13/48/1068881348.db2.gz XBKRFAWEQUVUIU-OMYPGEHRSA-N 0 0 478.637 -0.207 20 0 JBADRN C/C(=C/C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC001520696953 1068881666 /nfs/dbraw/zinc/88/16/66/1068881666.db2.gz XBKRFAWEQUVUIU-XQOFYJNGSA-N 0 0 478.637 -0.207 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1F ZINC001520707146 1068881422 /nfs/dbraw/zinc/88/14/22/1068881422.db2.gz SWAUYWGEGIIUDJ-ILXRZTDVSA-N 0 0 474.559 -0.313 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1F ZINC001520707147 1068881611 /nfs/dbraw/zinc/88/16/11/1068881611.db2.gz SWAUYWGEGIIUDJ-QLFBSQMISA-N 0 0 474.559 -0.313 20 0 JBADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1F ZINC001520707591 1068881568 /nfs/dbraw/zinc/88/15/68/1068881568.db2.gz YVKYJWNQFRTKCC-LVQVYYBASA-N 0 0 494.615 -0.171 20 0 JBADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1F ZINC001520707592 1068881397 /nfs/dbraw/zinc/88/13/97/1068881397.db2.gz YVKYJWNQFRTKCC-WCVJEAGWSA-N 0 0 494.615 -0.171 20 0 JBADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOCC2)CCN1S(C)(=O)=O ZINC001520746987 1068881724 /nfs/dbraw/zinc/88/17/24/1068881724.db2.gz APWPOTXTYIZOGW-KRWDZBQOSA-N 0 0 469.612 -0.294 20 0 JBADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2CC2)CCN1S(C)(=O)=O ZINC001520747073 1068881711 /nfs/dbraw/zinc/88/17/11/1068881711.db2.gz DICAMAKBKXBWMU-AWEZNQCLSA-N 0 0 453.569 -0.490 20 0 JBADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCC2)CCN1S(C)(=O)=O ZINC001520748859 1068881677 /nfs/dbraw/zinc/88/16/77/1068881677.db2.gz STISNAJNVHEHKE-HNNXBMFYSA-N 0 0 488.636 -0.049 20 0 JBADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCS(C)(=O)=O)CCN1S(C)(=O)=O ZINC001520748865 1068881700 /nfs/dbraw/zinc/88/17/00/1068881700.db2.gz SYGXLKUFCDWGMH-AWEZNQCLSA-N 0 0 462.598 -0.581 20 0 JBADRN Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC001520756880 1068881592 /nfs/dbraw/zinc/88/15/92/1068881592.db2.gz BUPYDINOSUBJRX-UHFFFAOYSA-N 0 0 459.322 -0.287 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccn[nH]2)CCN1S(C)(=O)=O ZINC001520769816 1068881375 /nfs/dbraw/zinc/88/13/75/1068881375.db2.gz IFQBCNVXIPSDHM-AWEZNQCLSA-N 0 0 461.552 -0.093 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cccnc3)n2CCCNS(C)(=O)=O)CCN1S(C)(=O)=O ZINC001520770828 1068881438 /nfs/dbraw/zinc/88/14/38/1068881438.db2.gz PPYIEADHPQEVJZ-AWEZNQCLSA-N 0 0 457.582 -0.251 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cccnc3)n2CCOCCS(C)(=O)=O)CCN1S(C)(=O)=O ZINC001520771117 1068881464 /nfs/dbraw/zinc/88/14/64/1068881464.db2.gz UBOPLOQBFBIOSO-HNNXBMFYSA-N 0 0 472.593 -0.129 20 0 JBADRN C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CCN1S(C)(=O)=O ZINC001520771623 1068882231 /nfs/dbraw/zinc/88/22/31/1068882231.db2.gz XZSSVDWSRKOYGN-KBXCAEBGSA-N 0 0 470.577 -0.640 20 0 JBADRN C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1S(C)(=O)=O ZINC001520771629 1068882221 /nfs/dbraw/zinc/88/22/21/1068882221.db2.gz XZSSVDWSRKOYGN-KSSFIOAISA-N 0 0 470.577 -0.640 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CC2)CCN1S(C)(=O)=O ZINC001520774281 1068882093 /nfs/dbraw/zinc/88/20/93/1068882093.db2.gz PWINPVVIBKRCOU-ZDUSSCGKSA-N 0 0 457.582 -0.274 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCN1S(C)(=O)=O ZINC001520774424 1068882269 /nfs/dbraw/zinc/88/22/69/1068882269.db2.gz SEXGOWRQUKVNAV-GJZGRUSLSA-N 0 0 471.609 -0.027 20 0 JBADRN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCN1S(C)(=O)=O ZINC001520774425 1068882020 /nfs/dbraw/zinc/88/20/20/1068882020.db2.gz SEXGOWRQUKVNAV-LSDHHAIUSA-N 0 0 471.609 -0.027 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CCN1S(C)(=O)=O ZINC001520778467 1068882245 /nfs/dbraw/zinc/88/22/45/1068882245.db2.gz GTWXVGMTYCFMAY-HOTGVXAUSA-N 0 0 491.636 -0.071 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CCN1S(C)(=O)=O ZINC001520778468 1068882185 /nfs/dbraw/zinc/88/21/85/1068882185.db2.gz GTWXVGMTYCFMAY-JKSUJKDBSA-N 0 0 491.636 -0.071 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)CCN1S(C)(=O)=O ZINC001520778568 1068882169 /nfs/dbraw/zinc/88/21/69/1068882169.db2.gz JZJQFUXTKOTJOF-BFHYXJOUSA-N 0 0 460.582 -0.866 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)CCN1S(C)(=O)=O ZINC001520778569 1068882334 /nfs/dbraw/zinc/88/23/34/1068882334.db2.gz JZJQFUXTKOTJOF-IHRRRGAJSA-N 0 0 460.582 -0.866 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)CCN1S(C)(=O)=O ZINC001520778570 1068882341 /nfs/dbraw/zinc/88/23/41/1068882341.db2.gz JZJQFUXTKOTJOF-MELADBBJSA-N 0 0 460.582 -0.866 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)CCN1S(C)(=O)=O ZINC001520778572 1068882063 /nfs/dbraw/zinc/88/20/63/1068882063.db2.gz JZJQFUXTKOTJOF-MJBXVCDLSA-N 0 0 460.582 -0.866 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)CCN1S(C)(=O)=O ZINC001520778928 1068882047 /nfs/dbraw/zinc/88/20/47/1068882047.db2.gz TZSJMXRXUQZHMR-DZGCQCFKSA-N 0 0 451.557 -0.539 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)CCN1S(C)(=O)=O ZINC001520778950 1068882287 /nfs/dbraw/zinc/88/22/87/1068882287.db2.gz TZSJMXRXUQZHMR-ZFWWWQNUSA-N 0 0 451.557 -0.539 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CCN1S(C)(=O)=O ZINC001520787028 1068882263 /nfs/dbraw/zinc/88/22/63/1068882263.db2.gz BFBXVNSWGLDRFA-KBPBESRZSA-N 0 0 495.649 -0.773 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CCN1S(C)(=O)=O ZINC001520787034 1068882208 /nfs/dbraw/zinc/88/22/08/1068882208.db2.gz BFBXVNSWGLDRFA-UONOGXRCSA-N 0 0 495.649 -0.773 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CCN1S(C)(=O)=O ZINC001520787580 1068882076 /nfs/dbraw/zinc/88/20/76/1068882076.db2.gz HCISCNZQCWTPOV-HOTGVXAUSA-N 0 0 491.636 -0.418 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CCN1S(C)(=O)=O ZINC001520787584 1068882126 /nfs/dbraw/zinc/88/21/26/1068882126.db2.gz HCISCNZQCWTPOV-JKSUJKDBSA-N 0 0 491.636 -0.418 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)CCN1S(C)(=O)=O ZINC001520787742 1068882188 /nfs/dbraw/zinc/88/21/88/1068882188.db2.gz IJCQLOIUIXOFQI-ARFHVFGLSA-N 0 0 477.609 -0.544 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)CCN1S(C)(=O)=O ZINC001520787745 1068882702 /nfs/dbraw/zinc/88/27/02/1068882702.db2.gz IJCQLOIUIXOFQI-HRCADAONSA-N 0 0 477.609 -0.544 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)CCN1S(C)(=O)=O ZINC001520787746 1068882778 /nfs/dbraw/zinc/88/27/78/1068882778.db2.gz IJCQLOIUIXOFQI-JYJNAYRXSA-N 0 0 477.609 -0.544 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)CCN1S(C)(=O)=O ZINC001520787749 1068882847 /nfs/dbraw/zinc/88/28/47/1068882847.db2.gz IJCQLOIUIXOFQI-XHSDSOJGSA-N 0 0 477.609 -0.544 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CCN1S(C)(=O)=O ZINC001520787965 1068882794 /nfs/dbraw/zinc/88/27/94/1068882794.db2.gz KRCYBWFOMFXSKD-KBPBESRZSA-N 0 0 450.587 -0.857 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CCN1S(C)(=O)=O ZINC001520787968 1068882712 /nfs/dbraw/zinc/88/27/12/1068882712.db2.gz KRCYBWFOMFXSKD-UONOGXRCSA-N 0 0 450.587 -0.857 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CCN1S(C)(=O)=O ZINC001520788155 1068882726 /nfs/dbraw/zinc/88/27/26/1068882726.db2.gz NVDOBLWTIUTVEC-ARFHVFGLSA-N 0 0 476.625 -0.324 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CCN1S(C)(=O)=O ZINC001520788156 1068882643 /nfs/dbraw/zinc/88/26/43/1068882643.db2.gz NVDOBLWTIUTVEC-HRCADAONSA-N 0 0 476.625 -0.324 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccn(C)n2)CCN1S(C)(=O)=O ZINC001520788508 1068882633 /nfs/dbraw/zinc/88/26/33/1068882633.db2.gz SAMLOMGTPSAUTQ-GJZGRUSLSA-N 0 0 471.609 -0.374 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccn(C)n2)CCN1S(C)(=O)=O ZINC001520788550 1068882753 /nfs/dbraw/zinc/88/27/53/1068882753.db2.gz SAMLOMGTPSAUTQ-LSDHHAIUSA-N 0 0 471.609 -0.374 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CCN1S(C)(=O)=O ZINC001520788659 1068882770 /nfs/dbraw/zinc/88/27/70/1068882770.db2.gz UHMFILSNGQNMSZ-HOTGVXAUSA-N 0 0 491.636 -0.418 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CCN1S(C)(=O)=O ZINC001520788662 1068882671 /nfs/dbraw/zinc/88/26/71/1068882671.db2.gz UHMFILSNGQNMSZ-JKSUJKDBSA-N 0 0 491.636 -0.418 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CCN1S(C)(=O)=O ZINC001520788804 1068882682 /nfs/dbraw/zinc/88/26/82/1068882682.db2.gz XDLVANAVLOXPHF-NWDGAFQWSA-N 0 0 454.475 -0.069 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CCN1S(C)(=O)=O ZINC001520788805 1068882824 /nfs/dbraw/zinc/88/28/24/1068882824.db2.gz XDLVANAVLOXPHF-RYUDHWBXSA-N 0 0 454.475 -0.069 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CCN1S(C)(=O)=O ZINC001520788900 1068882740 /nfs/dbraw/zinc/88/27/40/1068882740.db2.gz ZTXVTBSMANRGAT-DAYGRLMNSA-N 0 0 477.609 -0.544 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CCN1S(C)(=O)=O ZINC001520788901 1068882861 /nfs/dbraw/zinc/88/28/61/1068882861.db2.gz ZTXVTBSMANRGAT-HDMKZQKVSA-N 0 0 477.609 -0.544 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CCN1S(C)(=O)=O ZINC001520788902 1068882811 /nfs/dbraw/zinc/88/28/11/1068882811.db2.gz ZTXVTBSMANRGAT-MPGHIAIKSA-N 0 0 477.609 -0.544 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CCN1S(C)(=O)=O ZINC001520788903 1068882690 /nfs/dbraw/zinc/88/26/90/1068882690.db2.gz ZTXVTBSMANRGAT-RLFYNMQTSA-N 0 0 477.609 -0.544 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)CCN1S(C)(=O)=O ZINC001520794364 1068882837 /nfs/dbraw/zinc/88/28/37/1068882837.db2.gz AWHDBNPTVDOELA-ARFHVFGLSA-N 0 0 492.624 -0.740 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)CCN1S(C)(=O)=O ZINC001520794365 1068882659 /nfs/dbraw/zinc/88/26/59/1068882659.db2.gz AWHDBNPTVDOELA-XHSDSOJGSA-N 0 0 492.624 -0.740 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC2)CCN1S(C)(=O)=O ZINC001520795203 1068882870 /nfs/dbraw/zinc/88/28/70/1068882870.db2.gz RQMYVOGSTMKKAX-DZGCQCFKSA-N 0 0 462.598 -0.509 20 0 JBADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC2)CCN1S(C)(=O)=O ZINC001520795204 1068883264 /nfs/dbraw/zinc/88/32/64/1068883264.db2.gz RQMYVOGSTMKKAX-ZFWWWQNUSA-N 0 0 462.598 -0.509 20 0 JBADRN C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCOCCS(C)(=O)=O)CCN1S(C)(=O)=O ZINC001520802319 1068883514 /nfs/dbraw/zinc/88/35/14/1068883514.db2.gz LBJQIZVWAQSMEJ-INIZCTEOSA-N 0 0 486.620 -0.205 20 0 JBADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC2(O)CCOCC2)CCN1S(C)(=O)=O ZINC001520816205 1068883250 /nfs/dbraw/zinc/88/32/50/1068883250.db2.gz DLFYFHVNDBRVMY-INIZCTEOSA-N 0 0 470.596 -0.198 20 0 JBADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCN2CCOC2=O)CCN1S(C)(=O)=O ZINC001520816411 1068883372 /nfs/dbraw/zinc/88/33/72/1068883372.db2.gz GXFIUVQXJXSSRO-HNNXBMFYSA-N 0 0 469.568 -0.287 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCS(=O)(=O)C2)CCN1S(C)(=O)=O ZINC001520822277 1068883280 /nfs/dbraw/zinc/88/32/80/1068883280.db2.gz MMRGXLJPFZZIIY-JJRVBVJISA-N 0 0 463.582 -0.851 20 0 JBADRN C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1S(C)(=O)=O ZINC001520822278 1068883399 /nfs/dbraw/zinc/88/33/99/1068883399.db2.gz MMRGXLJPFZZIIY-VBQJREDUSA-N 0 0 463.582 -0.851 20 0 JBADRN C[C@H]1CN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CCN1S(C)(=O)=O ZINC001520832541 1068883525 /nfs/dbraw/zinc/88/35/25/1068883525.db2.gz PRMDZMHBGAFAGV-PMUMKWKESA-N 0 0 465.594 -0.240 20 0 JBADRN C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C[C@H](C)O1 ZINC001520834063 1068883240 /nfs/dbraw/zinc/88/32/40/1068883240.db2.gz YEUCAEZYYMBQQH-AXVVYFOYSA-N 0 0 457.597 -0.123 20 0 JBADRN C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)C[C@H](C)O1 ZINC001520834064 1068883217 /nfs/dbraw/zinc/88/32/17/1068883217.db2.gz YEUCAEZYYMBQQH-CLWJZODNSA-N 0 0 457.597 -0.123 20 0 JBADRN C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C[C@H](C)O1 ZINC001520834065 1068883386 /nfs/dbraw/zinc/88/33/86/1068883386.db2.gz YEUCAEZYYMBQQH-PFRQMTDMSA-N 0 0 457.597 -0.123 20 0 JBADRN C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)C[C@H](C)O1 ZINC001520834066 1068883496 /nfs/dbraw/zinc/88/34/96/1068883496.db2.gz YEUCAEZYYMBQQH-YZLZLFLDSA-N 0 0 457.597 -0.123 20 0 JBADRN C[C@@H]1CN(CCN(C)c2nnc(CN3CCCC3=O)n2CCNS(C)(=O)=O)C[C@H](C)O1 ZINC001520839274 1068883431 /nfs/dbraw/zinc/88/34/31/1068883431.db2.gz MMQXWNHABNACLD-IYBDPMFKSA-N 0 0 457.601 -0.505 20 0 JBADRN C[C@@H]1CN(CCN(C)c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 ZINC001520840047 1068883300 /nfs/dbraw/zinc/88/33/00/1068883300.db2.gz VDIRILAHXHHSEK-BBWFWOEESA-N 0 0 476.582 -0.066 20 0 JBADRN C[C@@H]1CN(CCN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H](C)O1 ZINC001520840247 1068883503 /nfs/dbraw/zinc/88/35/03/1068883503.db2.gz VVAJWXCYPPOUBX-FVJLSDCUSA-N 0 0 484.623 -0.505 20 0 JBADRN C[C@@H]1CN(CCN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H](C)O1 ZINC001520840261 1068883467 /nfs/dbraw/zinc/88/34/67/1068883467.db2.gz VVAJWXCYPPOUBX-LLGFUMIMSA-N 0 0 484.623 -0.505 20 0 JBADRN C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001520857669 1068883457 /nfs/dbraw/zinc/88/34/57/1068883457.db2.gz AZACCQUKCACYPU-DEYYWGMASA-N 0 0 462.594 -0.267 20 0 JBADRN C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001520857670 1068883976 /nfs/dbraw/zinc/88/39/76/1068883976.db2.gz AZACCQUKCACYPU-IYOUNJFTSA-N 0 0 462.594 -0.267 20 0 JBADRN C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001520857671 1068884112 /nfs/dbraw/zinc/88/41/12/1068884112.db2.gz AZACCQUKCACYPU-PMUMKWKESA-N 0 0 462.594 -0.267 20 0 JBADRN C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001520857672 1068884053 /nfs/dbraw/zinc/88/40/53/1068884053.db2.gz AZACCQUKCACYPU-SUNYJGFJSA-N 0 0 462.594 -0.267 20 0 JBADRN C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F ZINC001520858162 1068884120 /nfs/dbraw/zinc/88/41/20/1068884120.db2.gz LFBNSXIXYMZYQD-QWHCGFSZSA-N 0 0 480.538 -0.004 20 0 JBADRN C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F ZINC001520858171 1068884102 /nfs/dbraw/zinc/88/41/02/1068884102.db2.gz LFBNSXIXYMZYQD-STQMWFEESA-N 0 0 480.538 -0.004 20 0 JBADRN CN(c1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1)S(C)(=O)=O ZINC001520883681 1068883970 /nfs/dbraw/zinc/88/39/70/1068883970.db2.gz YWTJOUIUEVNFRK-HNNXBMFYSA-N 0 0 456.546 -0.136 20 0 JBADRN CN(c1ccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1)S(C)(=O)=O ZINC001520883688 1068883884 /nfs/dbraw/zinc/88/38/84/1068883884.db2.gz YWTJOUIUEVNFRK-OAHLLOKOSA-N 0 0 456.546 -0.136 20 0 JBADRN O=C(NCCNS(=O)(=O)c1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001521004252 1068883986 /nfs/dbraw/zinc/88/39/86/1068883986.db2.gz LDTGXYIKJSCCIT-UHFFFAOYSA-N 0 0 454.530 -0.189 20 0 JBADRN NC(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 ZINC001521182274 1068883934 /nfs/dbraw/zinc/88/39/34/1068883934.db2.gz CIDUULPBJBSWEF-AWEZNQCLSA-N 0 0 471.609 -0.796 20 0 JBADRN NC(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 ZINC001521182275 1068884029 /nfs/dbraw/zinc/88/40/29/1068884029.db2.gz CIDUULPBJBSWEF-CQSZACIVSA-N 0 0 471.609 -0.796 20 0 JBADRN O=C(C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)CC1)N1CCOCC1 ZINC001521262839 1068884017 /nfs/dbraw/zinc/88/40/17/1068884017.db2.gz GQJCGVUMANVWFX-CYBMUJFWSA-N 0 0 494.496 -0.750 20 0 JBADRN O=C(C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)CC1)N1CCOCC1 ZINC001521262840 1068883843 /nfs/dbraw/zinc/88/38/43/1068883843.db2.gz GQJCGVUMANVWFX-ZDUSSCGKSA-N 0 0 494.496 -0.750 20 0 JBADRN O=C(C(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCOCCCO)CC1)N1CCOCC1 ZINC001521262907 1068884092 /nfs/dbraw/zinc/88/40/92/1068884092.db2.gz KDIKLNUFPHNPAE-UHFFFAOYSA-N 0 0 487.561 -0.830 20 0 JBADRN NC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)N2CCSCC2)C1 ZINC001521262934 1068884004 /nfs/dbraw/zinc/88/40/04/1068884004.db2.gz KZECWWYHNDKSAR-HNNXBMFYSA-N 0 0 485.636 -0.519 20 0 JBADRN O=C(C(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCOCCCO)CC1)N1CCOCC1 ZINC001521263576 1068884079 /nfs/dbraw/zinc/88/40/79/1068884079.db2.gz YVTKLBVEEIJVKT-GOSISDBHSA-N 0 0 480.566 -0.574 20 0 JBADRN O=C(C(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCCCO)CC1)N1CCOCC1 ZINC001521263579 1068883867 /nfs/dbraw/zinc/88/38/67/1068883867.db2.gz YVTKLBVEEIJVKT-SFHVURJKSA-N 0 0 480.566 -0.574 20 0 JBADRN O=C(C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCOCC(F)F)CC1)N1CCOCC1 ZINC001521263608 1068884520 /nfs/dbraw/zinc/88/45/20/1068884520.db2.gz ZABSKNOWQYVUMV-OAHLLOKOSA-N 0 0 472.493 -0.081 20 0 JBADRN CCn1c(CCC(=O)NCCN2C(=O)CNC2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001521264339 1068884672 /nfs/dbraw/zinc/88/46/72/1068884672.db2.gz JRNVRJQBNYNKAH-UHFFFAOYSA-N 0 0 450.521 -0.093 20 0 JBADRN O=C(c1nnc(N2CCS(=O)CC2)n1CCS(=O)(=O)N1CCSCC1)N1CCCC1 ZINC001521280563 1068884588 /nfs/dbraw/zinc/88/45/88/1068884588.db2.gz GXOAUGMHKRRJRO-UHFFFAOYSA-N 0 0 476.650 -0.539 20 0 JBADRN O=C(c1nnc(N2CCN(CC(F)F)CC2)n1CCN1CCCS1(=O)=O)N1CCCC1 ZINC001521281022 1068884490 /nfs/dbraw/zinc/88/44/90/1068884490.db2.gz QIGXXEHXMHZXIM-UHFFFAOYSA-N 0 0 461.539 -0.063 20 0 JBADRN O=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC(F)F ZINC001521300869 1068884469 /nfs/dbraw/zinc/88/44/69/1068884469.db2.gz RCBSPAIFTQOVPN-AWEZNQCLSA-N 0 0 469.493 -0.277 20 0 JBADRN O=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)NCC(F)F ZINC001521300872 1068884706 /nfs/dbraw/zinc/88/47/06/1068884706.db2.gz RCBSPAIFTQOVPN-CQSZACIVSA-N 0 0 469.493 -0.277 20 0 JBADRN O=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1)NCC(F)F ZINC001521301353 1068884659 /nfs/dbraw/zinc/88/46/59/1068884659.db2.gz WIAGJAAKZSUYFN-UHFFFAOYSA-N 0 0 454.482 -0.111 20 0 JBADRN O=C(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1)N1CCOCC1 ZINC001521301739 1068884536 /nfs/dbraw/zinc/88/45/36/1068884536.db2.gz ZMOQITZVYOBYCO-HNNXBMFYSA-N 0 0 476.550 -0.184 20 0 JBADRN O=C(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1)N1CCOCC1 ZINC001521301740 1068884508 /nfs/dbraw/zinc/88/45/08/1068884508.db2.gz ZMOQITZVYOBYCO-OAHLLOKOSA-N 0 0 476.550 -0.184 20 0 JBADRN O=C(Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)NCC(F)(F)F ZINC001521308175 1068884576 /nfs/dbraw/zinc/88/45/76/1068884576.db2.gz IZNQZIZIIPGKFX-LLVKDONJSA-N 0 0 469.399 -0.090 20 0 JBADRN O=C(Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)NCC(F)(F)F ZINC001521308179 1068884718 /nfs/dbraw/zinc/88/47/18/1068884718.db2.gz IZNQZIZIIPGKFX-NSHDSACASA-N 0 0 469.399 -0.090 20 0 JBADRN O=C(Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)CC1)NCC(F)F ZINC001521310096 1068884635 /nfs/dbraw/zinc/88/46/35/1068884635.db2.gz YUIRTFYZIDPMJO-UHFFFAOYSA-N 0 0 451.463 -0.129 20 0 JBADRN O=C(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)NCC(F)(F)F ZINC001521326204 1068884617 /nfs/dbraw/zinc/88/46/17/1068884617.db2.gz FUTMUQKKZADHDV-UHFFFAOYSA-N 0 0 498.466 -0.541 20 0 JBADRN O=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)NCC(F)(F)F ZINC001521328455 1068884606 /nfs/dbraw/zinc/88/46/06/1068884606.db2.gz SNMCDPYCGUMOKK-CHWSQXEVSA-N 0 0 493.512 -0.088 20 0 JBADRN O=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)NCC(F)(F)F ZINC001521328456 1068884683 /nfs/dbraw/zinc/88/46/83/1068884683.db2.gz SNMCDPYCGUMOKK-OLZOCXBDSA-N 0 0 493.512 -0.088 20 0 JBADRN O=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)NCC(F)(F)F ZINC001521328457 1068884550 /nfs/dbraw/zinc/88/45/50/1068884550.db2.gz SNMCDPYCGUMOKK-QWHCGFSZSA-N 0 0 493.512 -0.088 20 0 JBADRN O=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)NCC(F)(F)F ZINC001521328458 1068884595 /nfs/dbraw/zinc/88/45/95/1068884595.db2.gz SNMCDPYCGUMOKK-STQMWFEESA-N 0 0 493.512 -0.088 20 0 JBADRN O=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1)NCC(F)(F)F ZINC001521328464 1068884697 /nfs/dbraw/zinc/88/46/97/1068884697.db2.gz SRZDIBLWTNVYNI-AWEZNQCLSA-N 0 0 486.499 -0.348 20 0 JBADRN O=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1)NCC(F)(F)F ZINC001521328465 1068884564 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CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)[C@@H](C)C1 ZINC001540990106 1068923150 /nfs/dbraw/zinc/92/31/50/1068923150.db2.gz BUMIDYLPKNYHHX-DOTOQJQBSA-N 0 0 458.585 -0.169 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)[C@H](C)C1 ZINC001540990107 1068923062 /nfs/dbraw/zinc/92/30/62/1068923062.db2.gz BUMIDYLPKNYHHX-NVXWUHKLSA-N 0 0 458.585 -0.169 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)[C@@H](C)C1 ZINC001540990108 1068923179 /nfs/dbraw/zinc/92/31/79/1068923179.db2.gz BUMIDYLPKNYHHX-RDJZCZTQSA-N 0 0 458.585 -0.169 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)[C@H](C)C1 ZINC001540990209 1068923485 /nfs/dbraw/zinc/92/34/85/1068923485.db2.gz BUMIDYLPKNYHHX-WBVHZDCISA-N 0 0 458.585 -0.169 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)[C@H](C)C1 ZINC001540990334 1068923607 /nfs/dbraw/zinc/92/36/07/1068923607.db2.gz DENIVUYWUCYNTL-GDBMZVCRSA-N 0 0 467.552 -0.053 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)[C@@H](C)C1 ZINC001540990339 1068923603 /nfs/dbraw/zinc/92/36/03/1068923603.db2.gz DENIVUYWUCYNTL-GOEBONIOSA-N 0 0 467.552 -0.053 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)[C@@H](C)C1 ZINC001540990340 1068923563 /nfs/dbraw/zinc/92/35/63/1068923563.db2.gz DENIVUYWUCYNTL-HOCLYGCPSA-N 0 0 467.552 -0.053 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)[C@H](C)C1 ZINC001540990344 1068923595 /nfs/dbraw/zinc/92/35/95/1068923595.db2.gz DENIVUYWUCYNTL-ZBFHGGJFSA-N 0 0 467.552 -0.053 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001540990559 1068923510 /nfs/dbraw/zinc/92/35/10/1068923510.db2.gz FULWPYKPGLLWNP-KNBMTAEXSA-N 0 0 470.596 -0.169 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001540990561 1068923520 /nfs/dbraw/zinc/92/35/20/1068923520.db2.gz FULWPYKPGLLWNP-OXFYSEKESA-N 0 0 470.596 -0.169 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001540990565 1068923528 /nfs/dbraw/zinc/92/35/28/1068923528.db2.gz FULWPYKPGLLWNP-RIFZZMRRSA-N 0 0 470.596 -0.169 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001540990567 1068923577 /nfs/dbraw/zinc/92/35/77/1068923577.db2.gz FULWPYKPGLLWNP-SYNHAJSKSA-N 0 0 470.596 -0.169 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCOCC2)CC1 ZINC001540990989 1068923505 /nfs/dbraw/zinc/92/35/05/1068923505.db2.gz IFBDCTDSZNGNLH-KRWDZBQOSA-N 0 0 456.569 -0.294 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCOCC2)CC1 ZINC001540990990 1068923971 /nfs/dbraw/zinc/92/39/71/1068923971.db2.gz IFBDCTDSZNGNLH-QGZVFWFLSA-N 0 0 456.569 -0.294 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(C)cn2)[C@H](C)C1 ZINC001540991297 1068923960 /nfs/dbraw/zinc/92/39/60/1068923960.db2.gz LAPDPJYBLLRADK-AEFFLSMTSA-N 0 0 480.595 -0.127 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(C)cn2)[C@@H](C)C1 ZINC001540991298 1068924050 /nfs/dbraw/zinc/92/40/50/1068924050.db2.gz LAPDPJYBLLRADK-FUHWJXTLSA-N 0 0 480.595 -0.127 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(C)cn2)[C@H](C)C1 ZINC001540991299 1068923980 /nfs/dbraw/zinc/92/39/80/1068923980.db2.gz LAPDPJYBLLRADK-SJLPKXTDSA-N 0 0 480.595 -0.127 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(C)cn2)[C@@H](C)C1 ZINC001540991300 1068923990 /nfs/dbraw/zinc/92/39/90/1068923990.db2.gz LAPDPJYBLLRADK-WMZOPIPTSA-N 0 0 480.595 -0.127 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCOCC2)CC1 ZINC001540991578 1068923966 /nfs/dbraw/zinc/92/39/66/1068923966.db2.gz MDSFKRNLXZUTBK-GOSISDBHSA-N 0 0 485.611 -0.998 20 0 JBADRN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCOCC2)CC1 ZINC001540991579 1068924007 /nfs/dbraw/zinc/92/40/07/1068924007.db2.gz MDSFKRNLXZUTBK-SFHVURJKSA-N 0 0 485.611 -0.998 20 0 JBADRN 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/nfs/dbraw/zinc/94/77/25/1068947725.db2.gz LUUAVVJLVNDDRP-MRXNPFEDSA-N 0 0 485.611 -0.475 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CCC(=O)N1CCOCC1 ZINC001541667571 1068947795 /nfs/dbraw/zinc/94/77/95/1068947795.db2.gz UJZSOBDGJAUEMH-KRWDZBQOSA-N 0 0 497.622 -0.331 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCC(=O)N1CCOCC1 ZINC001541667572 1068947759 /nfs/dbraw/zinc/94/77/59/1068947759.db2.gz UJZSOBDGJAUEMH-QGZVFWFLSA-N 0 0 497.622 -0.331 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001541670718 1068947731 /nfs/dbraw/zinc/94/77/31/1068947731.db2.gz BBYAMTISQMIUFZ-UHFFFAOYSA-N 0 0 476.625 -0.287 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC1(N2CCOCC2)CC1 ZINC001541670805 1068947573 /nfs/dbraw/zinc/94/75/73/1068947573.db2.gz FNLVPXDNYGZVLX-UHFFFAOYSA-N 0 0 469.612 -0.247 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCCN1CCOCC1 ZINC001541670961 1068947594 /nfs/dbraw/zinc/94/75/94/1068947594.db2.gz KESINONSIRFMJE-UHFFFAOYSA-N 0 0 457.601 -0.390 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCN1CCOC(C)(C)C1 ZINC001541671022 1068947777 /nfs/dbraw/zinc/94/77/77/1068947777.db2.gz NDUYODVLYMJPHC-UHFFFAOYSA-N 0 0 471.628 -0.001 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001541671333 1068947649 /nfs/dbraw/zinc/94/76/49/1068947649.db2.gz YKHYKHKWPSQGOM-GOSISDBHSA-N 0 0 463.583 -0.034 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001541671584 1068948226 /nfs/dbraw/zinc/94/82/26/1068948226.db2.gz HVRJTXYPRIOPAB-AOMKIAJQSA-N 0 0 477.566 -0.773 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001541671585 1068948185 /nfs/dbraw/zinc/94/81/85/1068948185.db2.gz HVRJTXYPRIOPAB-KSFYIVLOSA-N 0 0 477.566 -0.773 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001541671586 1068948140 /nfs/dbraw/zinc/94/81/40/1068948140.db2.gz HVRJTXYPRIOPAB-OPAMFIHVSA-N 0 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CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCCN1CCOCC1 ZINC001541671729 1068948133 /nfs/dbraw/zinc/94/81/33/1068948133.db2.gz NGBSRUNCYPICHO-UHFFFAOYSA-N 0 0 476.582 -0.934 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1Cc1ncccc1N(C)C ZINC001541671733 1068948174 /nfs/dbraw/zinc/94/81/74/1068948174.db2.gz NKVRCKZQHCKWAB-UHFFFAOYSA-N 0 0 483.577 -0.147 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@]1(C)COCCO1 ZINC001541671883 1068948153 /nfs/dbraw/zinc/94/81/53/1068948153.db2.gz SEFHMWZYMFMITA-JOCHJYFZSA-N 0 0 477.566 -0.507 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@]1(C)COCCO1 ZINC001541671884 1068948168 /nfs/dbraw/zinc/94/81/68/1068948168.db2.gz SEFHMWZYMFMITA-QFIPXVFZSA-N 0 0 477.566 -0.507 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCC=CO1 ZINC001541671906 1068948218 /nfs/dbraw/zinc/94/82/18/1068948218.db2.gz SVRVRYNJAYOTRQ-KRWDZBQOSA-N 0 0 475.550 -0.384 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCC=CO1 ZINC001541671907 1068948114 /nfs/dbraw/zinc/94/81/14/1068948114.db2.gz SVRVRYNJAYOTRQ-QGZVFWFLSA-N 0 0 475.550 -0.384 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001541672024 1068948201 /nfs/dbraw/zinc/94/82/01/1068948201.db2.gz YEGAGQXJLDGPDG-MSOLQXFVSA-N 0 0 491.593 -0.261 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001541672025 1068948125 /nfs/dbraw/zinc/94/81/25/1068948125.db2.gz YEGAGQXJLDGPDG-QZTJIDSGSA-N 0 0 491.593 -0.261 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001541672026 1068948160 /nfs/dbraw/zinc/94/81/60/1068948160.db2.gz YEGAGQXJLDGPDG-ROUUACIJSA-N 0 0 491.593 -0.261 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001541672027 1068948235 /nfs/dbraw/zinc/94/82/35/1068948235.db2.gz YEGAGQXJLDGPDG-ZWKOTPCHSA-N 0 0 491.593 -0.261 20 0 JBADRN 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JNHSFFUGZJRTDX-GHMZBOCLSA-N 0 0 461.499 -0.340 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H]1CCC(=O)N1 ZINC001541913712 1068962461 /nfs/dbraw/zinc/96/24/61/1068962461.db2.gz JNHSFFUGZJRTDX-WDEREUQCSA-N 0 0 461.499 -0.340 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCS(C)(=O)=O)n1CCN1CCOCC1(C)C ZINC001541916357 1068962517 /nfs/dbraw/zinc/96/25/17/1068962517.db2.gz GOWHEUWQRVRWIV-AWEZNQCLSA-N 0 0 466.630 -0.520 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCS(C)(=O)=O)n1CCN1CCOCC1(C)C ZINC001541916358 1068962413 /nfs/dbraw/zinc/96/24/13/1068962413.db2.gz GOWHEUWQRVRWIV-CQSZACIVSA-N 0 0 466.630 -0.520 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 ZINC001541916405 1068962436 /nfs/dbraw/zinc/96/24/36/1068962436.db2.gz HOTYBBHIQBAISL-HUUCEWRRSA-N 0 0 496.681 -0.118 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 ZINC001541916406 1068962456 /nfs/dbraw/zinc/96/24/56/1068962456.db2.gz HOTYBBHIQBAISL-LSDHHAIUSA-N 0 0 496.681 -0.118 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCS(C)(=O)=O)n1CCn1cc(Cl)cn1 ZINC001541916413 1068962525 /nfs/dbraw/zinc/96/25/25/1068962525.db2.gz HWEJIWYNHRQBLB-LLVKDONJSA-N 0 0 453.978 -0.081 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCS(C)(=O)=O)n1CCn1cc(Cl)cn1 ZINC001541916414 1068962515 /nfs/dbraw/zinc/96/25/15/1068962515.db2.gz HWEJIWYNHRQBLB-NSHDSACASA-N 0 0 453.978 -0.081 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H]1OCCC1(C)C ZINC001541916465 1068962444 /nfs/dbraw/zinc/96/24/44/1068962444.db2.gz IWVJVMNSPXLZTP-CHWSQXEVSA-N 0 0 452.603 -0.311 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H]1OCCC1(C)C ZINC001541916466 1068962407 /nfs/dbraw/zinc/96/24/07/1068962407.db2.gz IWVJVMNSPXLZTP-OLZOCXBDSA-N 0 0 452.603 -0.311 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H]1OCCC1(C)C ZINC001541916467 1068962486 /nfs/dbraw/zinc/96/24/86/1068962486.db2.gz IWVJVMNSPXLZTP-QWHCGFSZSA-N 0 0 452.603 -0.311 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H]1OCCC1(C)C ZINC001541916468 1068962453 /nfs/dbraw/zinc/96/24/53/1068962453.db2.gz IWVJVMNSPXLZTP-STQMWFEESA-N 0 0 452.603 -0.311 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC(=O)NCC(F)(F)F ZINC001541916537 1068962388 /nfs/dbraw/zinc/96/23/88/1068962388.db2.gz KIVQGESESAYPNW-GFCCVEGCSA-N 0 0 471.506 -0.665 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC(=O)NCC(F)(F)F ZINC001541916538 1068962502 /nfs/dbraw/zinc/96/25/02/1068962502.db2.gz KIVQGESESAYPNW-LBPRGKRZSA-N 0 0 471.506 -0.665 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001541916673 1068962532 /nfs/dbraw/zinc/96/25/32/1068962532.db2.gz MRBAMQDBBLPNMO-TWMKSMIVSA-N 0 0 492.668 -0.132 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001541916674 1068963061 /nfs/dbraw/zinc/96/30/61/1068963061.db2.gz MRBAMQDBBLPNMO-VVLHAWIVSA-N 0 0 492.668 -0.132 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001541916675 1068962960 /nfs/dbraw/zinc/96/29/60/1068962960.db2.gz MRBAMQDBBLPNMO-YVSFHVDLSA-N 0 0 492.668 -0.132 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001541916676 1068962862 /nfs/dbraw/zinc/96/28/62/1068962862.db2.gz MRBAMQDBBLPNMO-YYIAUSFCSA-N 0 0 492.668 -0.132 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCC(=O)N1 ZINC001541916977 1068962984 /nfs/dbraw/zinc/96/29/84/1068962984.db2.gz SEATZQXBBKYQBM-QKPAOTATSA-N 0 0 457.601 -0.288 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCC(=O)N1 ZINC001541916978 1068963008 /nfs/dbraw/zinc/96/30/08/1068963008.db2.gz SEATZQXBBKYQBM-XUWVNRHRSA-N 0 0 457.601 -0.288 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1CC(=O)NCC(F)(F)F ZINC001541917045 1068962919 /nfs/dbraw/zinc/96/29/19/1068962919.db2.gz ULPHVMOMJLOSKL-LLVKDONJSA-N 0 0 452.463 -0.100 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1CC(=O)NCC(F)(F)F ZINC001541917046 1068962979 /nfs/dbraw/zinc/96/29/79/1068962979.db2.gz ULPHVMOMJLOSKL-NSHDSACASA-N 0 0 452.463 -0.100 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CCN1CCOC(C)(C)C1 ZINC001541917187 1068962888 /nfs/dbraw/zinc/96/28/88/1068962888.db2.gz XFKLZPUOFUYMAV-KRWDZBQOSA-N 0 0 473.644 -0.233 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CCN1CCOC(C)(C)C1 ZINC001541917188 1068963042 /nfs/dbraw/zinc/96/30/42/1068963042.db2.gz XFKLZPUOFUYMAV-QGZVFWFLSA-N 0 0 473.644 -0.233 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001541917349 1068963064 /nfs/dbraw/zinc/96/30/64/1068963064.db2.gz ASECBWUYZNGEHT-CHWSQXEVSA-N 0 0 464.614 -0.232 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001541917350 1068963022 /nfs/dbraw/zinc/96/30/22/1068963022.db2.gz ASECBWUYZNGEHT-OLZOCXBDSA-N 0 0 464.614 -0.232 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001541917351 1068962938 /nfs/dbraw/zinc/96/29/38/1068962938.db2.gz ASECBWUYZNGEHT-QWHCGFSZSA-N 0 0 464.614 -0.232 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001541917352 1068962853 /nfs/dbraw/zinc/96/28/53/1068962853.db2.gz ASECBWUYZNGEHT-STQMWFEESA-N 0 0 464.614 -0.232 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC(C)(C)N1CCOCC1 ZINC001541917367 1068962873 /nfs/dbraw/zinc/96/28/73/1068962873.db2.gz AXYGDYXZBHPKDH-CABCVRRESA-N 0 0 457.601 -0.334 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC(C)(C)N1CCOCC1 ZINC001541917368 1068963030 /nfs/dbraw/zinc/96/30/30/1068963030.db2.gz AXYGDYXZBHPKDH-GJZGRUSLSA-N 0 0 457.601 -0.334 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC(C)(C)N1CCOCC1 ZINC001541917369 1068962946 /nfs/dbraw/zinc/96/29/46/1068962946.db2.gz AXYGDYXZBHPKDH-HUUCEWRRSA-N 0 0 457.601 -0.334 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC(C)(C)N1CCOCC1 ZINC001541917370 1068962928 /nfs/dbraw/zinc/96/29/28/1068962928.db2.gz AXYGDYXZBHPKDH-LSDHHAIUSA-N 0 0 457.601 -0.334 20 0 JBADRN CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C)N1CCOCC1 ZINC001541917661 1068962965 /nfs/dbraw/zinc/96/29/65/1068962965.db2.gz GWZKZLSXVYVJCY-IKGGRYGDSA-N 0 0 471.628 -0.088 20 0 JBADRN CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C)N1CCOCC1 ZINC001541917662 1068962904 /nfs/dbraw/zinc/96/29/04/1068962904.db2.gz GWZKZLSXVYVJCY-IXDOHACOSA-N 0 0 471.628 -0.088 20 0 JBADRN CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C)N1CCOCC1 ZINC001541917663 1068963000 /nfs/dbraw/zinc/96/30/00/1068963000.db2.gz GWZKZLSXVYVJCY-ULQDDVLXSA-N 0 0 471.628 -0.088 20 0 JBADRN CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C)N1CCOCC1 ZINC001541917664 1068963354 /nfs/dbraw/zinc/96/33/54/1068963354.db2.gz GWZKZLSXVYVJCY-YESZJQIVSA-N 0 0 471.628 -0.088 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN1CCCS1(=O)=O ZINC001541917913 1068963511 /nfs/dbraw/zinc/96/35/11/1068963511.db2.gz LABBNFQEIDNBID-CABCVRRESA-N 0 0 476.625 -0.071 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN1CCCS1(=O)=O ZINC001541917914 1068963523 /nfs/dbraw/zinc/96/35/23/1068963523.db2.gz LABBNFQEIDNBID-GJZGRUSLSA-N 0 0 476.625 -0.071 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN1CCCS1(=O)=O ZINC001541917915 1068963414 /nfs/dbraw/zinc/96/34/14/1068963414.db2.gz LABBNFQEIDNBID-HUUCEWRRSA-N 0 0 476.625 -0.071 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN1CCCS1(=O)=O ZINC001541917916 1068963324 /nfs/dbraw/zinc/96/33/24/1068963324.db2.gz LABBNFQEIDNBID-LSDHHAIUSA-N 0 0 476.625 -0.071 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1C[C@]1(O)CCO[C@H]1C ZINC001541917939 1068963421 /nfs/dbraw/zinc/96/34/21/1068963421.db2.gz LLAASKPDGALNAK-KVMGVCFTSA-N 0 0 456.569 -0.324 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1C[C@@]1(O)CCO[C@@H]1C ZINC001541917940 1068963369 /nfs/dbraw/zinc/96/33/69/1068963369.db2.gz LLAASKPDGALNAK-QHSZWVADSA-N 0 0 456.569 -0.324 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1C[C@@]1(O)CCO[C@H]1C ZINC001541917941 1068963481 /nfs/dbraw/zinc/96/34/81/1068963481.db2.gz LLAASKPDGALNAK-RSEPMYMBSA-N 0 0 456.569 -0.324 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1C[C@]1(O)CCO[C@@H]1C ZINC001541917942 1068963516 /nfs/dbraw/zinc/96/35/16/1068963516.db2.gz LLAASKPDGALNAK-WSVVRNJXSA-N 0 0 456.569 -0.324 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1CCCn1ccnn1 ZINC001541918321 1068963435 /nfs/dbraw/zinc/96/34/35/1068963435.db2.gz RIRRQZQKXYFVSP-KKUMJFAQSA-N 0 0 451.557 -0.183 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCCn1ccnn1 ZINC001541918322 1068963388 /nfs/dbraw/zinc/96/33/88/1068963388.db2.gz RIRRQZQKXYFVSP-RRFJBIMHSA-N 0 0 451.557 -0.183 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1CCCn1ccnn1 ZINC001541918323 1068963457 /nfs/dbraw/zinc/96/34/57/1068963457.db2.gz RIRRQZQKXYFVSP-SOUVJXGZSA-N 0 0 451.557 -0.183 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCCn1ccnn1 ZINC001541918324 1068963472 /nfs/dbraw/zinc/96/34/72/1068963472.db2.gz RIRRQZQKXYFVSP-ZNMIVQPWSA-N 0 0 451.557 -0.183 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 ZINC001541918537 1068963942 /nfs/dbraw/zinc/96/39/42/1068963942.db2.gz VJJOCJXGIGGINB-KBPBESRZSA-N 0 0 475.575 -0.111 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 ZINC001541918538 1068963851 /nfs/dbraw/zinc/96/38/51/1068963851.db2.gz VJJOCJXGIGGINB-KGLIPLIRSA-N 0 0 475.575 -0.111 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 ZINC001541918539 1068963891 /nfs/dbraw/zinc/96/38/91/1068963891.db2.gz VJJOCJXGIGGINB-UONOGXRCSA-N 0 0 475.575 -0.111 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 ZINC001541918540 1068963949 /nfs/dbraw/zinc/96/39/49/1068963949.db2.gz VJJOCJXGIGGINB-ZIAGYGMSSA-N 0 0 475.575 -0.111 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCCOC[C@H]1CCOC1 ZINC001541918631 1068963841 /nfs/dbraw/zinc/96/38/41/1068963841.db2.gz WOSMNWDCLNMIPW-HRCADAONSA-N 0 0 458.585 -0.002 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCCOC[C@@H]1CCOC1 ZINC001541918632 1068963883 /nfs/dbraw/zinc/96/38/83/1068963883.db2.gz WOSMNWDCLNMIPW-JYJNAYRXSA-N 0 0 458.585 -0.002 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCCOC[C@H]1CCOC1 ZINC001541918633 1068963916 /nfs/dbraw/zinc/96/39/16/1068963916.db2.gz WOSMNWDCLNMIPW-OWCLPIDISA-N 0 0 458.585 -0.002 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCCOC[C@@H]1CCOC1 ZINC001541918634 1068963939 /nfs/dbraw/zinc/96/39/39/1068963939.db2.gz WOSMNWDCLNMIPW-PMPSAXMXSA-N 0 0 458.585 -0.002 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN1CCOC[C@H]1C ZINC001541918871 1068963815 /nfs/dbraw/zinc/96/38/15/1068963815.db2.gz ALKTWVWQSFCFEC-FXUDXRNXSA-N 0 0 455.585 -0.676 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCN1CCOC[C@H]1C ZINC001541918872 1068963861 /nfs/dbraw/zinc/96/38/61/1068963861.db2.gz ALKTWVWQSFCFEC-UGUYLWEFSA-N 0 0 455.585 -0.676 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCN1CCOC[C@@H]1C ZINC001541918873 1068963929 /nfs/dbraw/zinc/96/39/29/1068963929.db2.gz ALKTWVWQSFCFEC-VGWMRTNUSA-N 0 0 455.585 -0.676 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN1CCOC[C@@H]1C ZINC001541918874 1068963920 /nfs/dbraw/zinc/96/39/20/1068963920.db2.gz ALKTWVWQSFCFEC-YHUYYLMFSA-N 0 0 455.585 -0.676 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1CC1(O)CCOCC1 ZINC001541918891 1068963874 /nfs/dbraw/zinc/96/38/74/1068963874.db2.gz APBIPDOCGWKCSJ-IKGGRYGDSA-N 0 0 472.612 -0.413 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1CC1(O)CCOCC1 ZINC001541918892 1068963828 /nfs/dbraw/zinc/96/38/28/1068963828.db2.gz APBIPDOCGWKCSJ-IXDOHACOSA-N 0 0 472.612 -0.413 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CC1(O)CCOCC1 ZINC001541918893 1068963898 /nfs/dbraw/zinc/96/38/98/1068963898.db2.gz APBIPDOCGWKCSJ-ULQDDVLXSA-N 0 0 472.612 -0.413 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CC1(O)CCOCC1 ZINC001541918894 1068964261 /nfs/dbraw/zinc/96/42/61/1068964261.db2.gz APBIPDOCGWKCSJ-YESZJQIVSA-N 0 0 472.612 -0.413 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001541918955 1068964216 /nfs/dbraw/zinc/96/42/16/1068964216.db2.gz BDGGQGQFMMXAQR-CABCVRRESA-N 0 0 478.641 -0.089 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001541918956 1068964277 /nfs/dbraw/zinc/96/42/77/1068964277.db2.gz BDGGQGQFMMXAQR-GJZGRUSLSA-N 0 0 478.641 -0.089 20 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C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CCCc1cnn(C)c1 ZINC001541919302 1068964315 /nfs/dbraw/zinc/96/43/15/1068964315.db2.gz IIUPYCWIQWGZHF-NUEKZKHPSA-N 0 0 450.569 -0.031 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CC(=O)N1CCOCC1 ZINC001541919519 1068964334 /nfs/dbraw/zinc/96/43/34/1068964334.db2.gz LFLGNTHXMYNPQC-CVEARBPZSA-N 0 0 470.596 -0.122 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CC(=O)N1CCOCC1 ZINC001541919520 1068964284 /nfs/dbraw/zinc/96/42/84/1068964284.db2.gz LFLGNTHXMYNPQC-HOTGVXAUSA-N 0 0 470.596 -0.122 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CC(=O)N1CCOCC1 ZINC001541919521 1068964327 /nfs/dbraw/zinc/96/43/27/1068964327.db2.gz LFLGNTHXMYNPQC-HZPDHXFCSA-N 0 0 470.596 -0.122 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CC(=O)N1CCOCC1 ZINC001541919522 1068964295 /nfs/dbraw/zinc/96/42/95/1068964295.db2.gz LFLGNTHXMYNPQC-JKSUJKDBSA-N 0 0 470.596 -0.122 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC(=O)N1CCOCC1 ZINC001541920717 1068964322 /nfs/dbraw/zinc/96/43/22/1068964322.db2.gz CHBUUMBCTRPRQY-TUCDSHDJSA-N 0 0 456.569 -0.656 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC(=O)N1CCOCC1 ZINC001541920718 1068964212 /nfs/dbraw/zinc/96/42/12/1068964212.db2.gz CHBUUMBCTRPRQY-VVDCQGDTSA-N 0 0 456.569 -0.656 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@@]1(C)COCCO1 ZINC001541922049 1068964303 /nfs/dbraw/zinc/96/43/03/1068964303.db2.gz BQNMNFXLABSPDD-DBVUQKKJSA-N 0 0 472.612 -0.005 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@]1(C)COCCO1 ZINC001541922050 1068964770 /nfs/dbraw/zinc/96/47/70/1068964770.db2.gz BQNMNFXLABSPDD-FFZOFVMBSA-N 0 0 472.612 -0.005 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@]1(C)COCCO1 ZINC001541922051 1068964657 /nfs/dbraw/zinc/96/46/57/1068964657.db2.gz BQNMNFXLABSPDD-PWIZWCRZSA-N 0 0 472.612 -0.005 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@@]1(C)COCCO1 ZINC001541922052 1068964576 /nfs/dbraw/zinc/96/45/76/1068964576.db2.gz BQNMNFXLABSPDD-VDGAXYAQSA-N 0 0 472.612 -0.005 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCC(=O)N(C)C ZINC001541922121 1068964672 /nfs/dbraw/zinc/96/46/72/1068964672.db2.gz CTLKGOWZCGATSI-INIZCTEOSA-N 0 0 499.638 -0.168 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCC(=O)N(C)C ZINC001541922122 1068964565 /nfs/dbraw/zinc/96/45/65/1068964565.db2.gz CTLKGOWZCGATSI-MRXNPFEDSA-N 0 0 499.638 -0.168 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541922349 1068964690 /nfs/dbraw/zinc/96/46/90/1068964690.db2.gz HKHXZUXRYYMTQO-RFQIPJPRSA-N 0 0 498.528 -0.067 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541922350 1068964729 /nfs/dbraw/zinc/96/47/29/1068964729.db2.gz HKHXZUXRYYMTQO-XDQVBPFNSA-N 0 0 498.528 -0.067 20 0 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@H](C)N1CCOCC1 ZINC001541930951 1068968246 /nfs/dbraw/zinc/96/82/46/1068968246.db2.gz STDDCLXEQHZSPU-LSDHHAIUSA-N 0 0 478.641 -0.378 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 ZINC001541931030 1068968309 /nfs/dbraw/zinc/96/83/09/1068968309.db2.gz UPBQNHWQKVUKAU-JTOWHCCKSA-N 0 0 477.609 -0.150 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 ZINC001541931031 1068968205 /nfs/dbraw/zinc/96/82/05/1068968205.db2.gz UPBQNHWQKVUKAU-KRXQYRFLSA-N 0 0 477.609 -0.150 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 ZINC001541931032 1068968196 /nfs/dbraw/zinc/96/81/96/1068968196.db2.gz UPBQNHWQKVUKAU-XSWJXKHESA-N 0 0 477.609 -0.150 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 ZINC001541931033 1068968275 /nfs/dbraw/zinc/96/82/75/1068968275.db2.gz UPBQNHWQKVUKAU-YRBFXIGRSA-N 0 0 477.609 -0.150 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1CCNS(C)(=O)=O ZINC001541931758 1068968288 /nfs/dbraw/zinc/96/82/88/1068968288.db2.gz IHBZGLPJVOXCLN-DOMZBBRYSA-N 0 0 452.628 -0.229 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CCNS(C)(=O)=O ZINC001541931759 1068968237 /nfs/dbraw/zinc/96/82/37/1068968237.db2.gz IHBZGLPJVOXCLN-IUODEOHRSA-N 0 0 452.628 -0.229 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CCNS(C)(=O)=O ZINC001541931760 1068968292 /nfs/dbraw/zinc/96/82/92/1068968292.db2.gz IHBZGLPJVOXCLN-SWLSCSKDSA-N 0 0 452.628 -0.229 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1CCNS(C)(=O)=O ZINC001541931761 1068968251 /nfs/dbraw/zinc/96/82/51/1068968251.db2.gz IHBZGLPJVOXCLN-WFASDCNBSA-N 0 0 452.628 -0.229 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1C[C@@H]1COCCO1 ZINC001541931976 1068968303 /nfs/dbraw/zinc/96/83/03/1068968303.db2.gz MDSUSOCGWHZLTM-CKEIUWERSA-N 0 0 463.582 -0.681 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1C[C@@H]1COCCO1 ZINC001541931977 1068968230 /nfs/dbraw/zinc/96/82/30/1068968230.db2.gz MDSUSOCGWHZLTM-CPUCHLNUSA-N 0 0 463.582 -0.681 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1C[C@@H]1COCCO1 ZINC001541931978 1068968262 /nfs/dbraw/zinc/96/82/62/1068968262.db2.gz MDSUSOCGWHZLTM-JJRVBVJISA-N 0 0 463.582 -0.681 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1C[C@@H]1COCCO1 ZINC001541931979 1068968697 /nfs/dbraw/zinc/96/86/97/1068968697.db2.gz MDSUSOCGWHZLTM-VBQJREDUSA-N 0 0 463.582 -0.681 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCN1CCOC[C@@H]1C ZINC001541932666 1068968679 /nfs/dbraw/zinc/96/86/79/1068968679.db2.gz XYTKUDOPMSHSFK-BXWFABGCSA-N 0 0 490.652 -0.376 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCN1CCOC[C@H]1C ZINC001541932667 1068968595 /nfs/dbraw/zinc/96/85/95/1068968595.db2.gz XYTKUDOPMSHSFK-GJYPPUQNSA-N 0 0 490.652 -0.376 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CCN1CCOC[C@H]1C ZINC001541932668 1068968717 /nfs/dbraw/zinc/96/87/17/1068968717.db2.gz XYTKUDOPMSHSFK-JTDSTZFVSA-N 0 0 490.652 -0.376 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CCN1CCOC[C@@H]1C ZINC001541932669 1068968656 /nfs/dbraw/zinc/96/86/56/1068968656.db2.gz XYTKUDOPMSHSFK-TXPKVOOTSA-N 0 0 490.652 -0.376 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccn(C)n1 ZINC001541932754 1068968674 /nfs/dbraw/zinc/96/86/74/1068968674.db2.gz ZGCJDUJSRXYZAN-CXAGYDPISA-N 0 0 457.582 -0.315 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1Cc1ccn(C)n1 ZINC001541932755 1068968602 /nfs/dbraw/zinc/96/86/02/1068968602.db2.gz ZGCJDUJSRXYZAN-DYVFJYSZSA-N 0 0 457.582 -0.315 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1Cc1ccn(C)n1 ZINC001541932756 1068968652 /nfs/dbraw/zinc/96/86/52/1068968652.db2.gz ZGCJDUJSRXYZAN-GUYCJALGSA-N 0 0 457.582 -0.315 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccn(C)n1 ZINC001541932757 1068968703 /nfs/dbraw/zinc/96/87/03/1068968703.db2.gz ZGCJDUJSRXYZAN-SUMWQHHRSA-N 0 0 457.582 -0.315 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1Cc1nncn1C ZINC001541932888 1068968621 /nfs/dbraw/zinc/96/86/21/1068968621.db2.gz BBVWTZJHGDRGNR-DZGCQCFKSA-N 0 0 465.584 -0.192 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1Cc1nncn1C ZINC001541932889 1068968733 /nfs/dbraw/zinc/96/87/33/1068968733.db2.gz BBVWTZJHGDRGNR-HIFRSBDPSA-N 0 0 465.584 -0.192 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1Cc1nncn1C ZINC001541932890 1068968723 /nfs/dbraw/zinc/96/87/23/1068968723.db2.gz BBVWTZJHGDRGNR-UKRRQHHQSA-N 0 0 465.584 -0.192 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1Cc1nncn1C ZINC001541932891 1068968628 /nfs/dbraw/zinc/96/86/28/1068968628.db2.gz BBVWTZJHGDRGNR-ZFWWWQNUSA-N 0 0 465.584 -0.192 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1C[C@@H]1COCCO1 ZINC001541933488 1068968692 /nfs/dbraw/zinc/96/86/92/1068968692.db2.gz KZDUATUTUANLEB-IIAWOOMASA-N 0 0 456.569 -0.201 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1C[C@@H]1COCCO1 ZINC001541933489 1068968667 /nfs/dbraw/zinc/96/86/67/1068968667.db2.gz KZDUATUTUANLEB-IJEWVQPXSA-N 0 0 456.569 -0.201 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1C[C@@H]1COCCO1 ZINC001541933490 1068968640 /nfs/dbraw/zinc/96/86/40/1068968640.db2.gz KZDUATUTUANLEB-OFQRWUPVSA-N 0 0 456.569 -0.201 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1C[C@@H]1COCCO1 ZINC001541933491 1068968710 /nfs/dbraw/zinc/96/87/10/1068968710.db2.gz KZDUATUTUANLEB-SQWLQELKSA-N 0 0 456.569 -0.201 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC[C@H]1CCOC1 ZINC001541933832 1068968684 /nfs/dbraw/zinc/96/86/84/1068968684.db2.gz PESJYRPHGKONAK-KBPBESRZSA-N 0 0 451.553 -0.029 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC[C@H]1CCOC1 ZINC001541933833 1068968578 /nfs/dbraw/zinc/96/85/78/1068968578.db2.gz PESJYRPHGKONAK-KGLIPLIRSA-N 0 0 451.553 -0.029 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC[C@@H]1CCOC1 ZINC001541933834 1068968618 /nfs/dbraw/zinc/96/86/18/1068968618.db2.gz PESJYRPHGKONAK-UONOGXRCSA-N 0 0 451.553 -0.029 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC[C@@H]1CCOC1 ZINC001541933835 1068969100 /nfs/dbraw/zinc/96/91/00/1068969100.db2.gz PESJYRPHGKONAK-ZIAGYGMSSA-N 0 0 451.553 -0.029 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCCN1CCOCC1 ZINC001541934836 1068969130 /nfs/dbraw/zinc/96/91/30/1068969130.db2.gz FYDMYHJAQXWQLU-CVEARBPZSA-N 0 0 457.601 -0.298 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCCN1CCOCC1 ZINC001541934837 1068969191 /nfs/dbraw/zinc/96/91/91/1068969191.db2.gz FYDMYHJAQXWQLU-HOTGVXAUSA-N 0 0 457.601 -0.298 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCCN1CCOCC1 ZINC001541934838 1068969071 /nfs/dbraw/zinc/96/90/71/1068969071.db2.gz FYDMYHJAQXWQLU-HZPDHXFCSA-N 0 0 457.601 -0.298 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCCN1CCOCC1 ZINC001541934839 1068969160 /nfs/dbraw/zinc/96/91/60/1068969160.db2.gz FYDMYHJAQXWQLU-JKSUJKDBSA-N 0 0 457.601 -0.298 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001541935230 1068969186 /nfs/dbraw/zinc/96/91/86/1068969186.db2.gz LPPCNCGJVUVUMK-AUSJPIAWSA-N 0 0 467.596 -0.042 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@]1(C)CN(C)C1=O ZINC001541935231 1068969151 /nfs/dbraw/zinc/96/91/51/1068969151.db2.gz LPPCNCGJVUVUMK-AVYPCKFXSA-N 0 0 467.596 -0.042 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001541935232 1068969091 /nfs/dbraw/zinc/96/90/91/1068969091.db2.gz LPPCNCGJVUVUMK-BXTJHSDWSA-N 0 0 467.596 -0.042 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@]1(C)CN(C)C1=O ZINC001541935233 1068969171 /nfs/dbraw/zinc/96/91/71/1068969171.db2.gz LPPCNCGJVUVUMK-MDOVXXIYSA-N 0 0 467.596 -0.042 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@H]1COCCO1 ZINC001541935440 1068969141 /nfs/dbraw/zinc/96/91/41/1068969141.db2.gz NUMSQMPMVFDGON-JYJNAYRXSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@H]1COCCO1 ZINC001541935441 1068969184 /nfs/dbraw/zinc/96/91/84/1068969184.db2.gz NUMSQMPMVFDGON-OAGGEKHMSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@H]1COCCO1 ZINC001541935442 1068969155 /nfs/dbraw/zinc/96/91/55/1068969155.db2.gz NUMSQMPMVFDGON-PMPSAXMXSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@H]1COCCO1 ZINC001541935443 1068969059 /nfs/dbraw/zinc/96/90/59/1068969059.db2.gz NUMSQMPMVFDGON-XHSDSOJGSA-N 0 0 456.569 -0.105 20 0 JBADRN 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[C@@H]1CCCCO1 ZINC001541939816 1068969964 /nfs/dbraw/zinc/96/99/64/1068969964.db2.gz FOZMSPJZPXJXRB-RDJZCZTQSA-N 0 0 497.622 -0.225 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[C@@H]1CCCCO1 ZINC001541939817 1068969889 /nfs/dbraw/zinc/96/98/89/1068969889.db2.gz FOZMSPJZPXJXRB-WBVHZDCISA-N 0 0 497.622 -0.225 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC(=O)N1CCOCC1 ZINC001541940177 1068969984 /nfs/dbraw/zinc/96/99/84/1068969984.db2.gz LQILZXWCZISMQU-AWEZNQCLSA-N 0 0 497.544 -0.179 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC(=O)N1CCOCC1 ZINC001541940178 1068969894 /nfs/dbraw/zinc/96/98/94/1068969894.db2.gz LQILZXWCZISMQU-CQSZACIVSA-N 0 0 497.544 -0.179 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001541940315 1068969918 /nfs/dbraw/zinc/96/99/18/1068969918.db2.gz ONAGHTJXWWPFRJ-KBPBESRZSA-N 0 0 450.587 -0.604 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001541940316 1068969946 /nfs/dbraw/zinc/96/99/46/1068969946.db2.gz ONAGHTJXWWPFRJ-KGLIPLIRSA-N 0 0 450.587 -0.604 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001541940317 1068970003 /nfs/dbraw/zinc/97/00/03/1068970003.db2.gz ONAGHTJXWWPFRJ-UONOGXRCSA-N 0 0 450.587 -0.604 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001541940318 1068969912 /nfs/dbraw/zinc/96/99/12/1068969912.db2.gz ONAGHTJXWWPFRJ-ZIAGYGMSSA-N 0 0 450.587 -0.604 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1nccn1C(F)F ZINC001541940513 1068970480 /nfs/dbraw/zinc/97/04/80/1068970480.db2.gz SHUZQADGJZMTAR-GFCCVEGCSA-N 0 0 496.566 0.000 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1nccn1C(F)F ZINC001541940514 1068970495 /nfs/dbraw/zinc/97/04/95/1068970495.db2.gz SHUZQADGJZMTAR-LBPRGKRZSA-N 0 0 496.566 0.000 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001541940527 1068970367 /nfs/dbraw/zinc/97/03/67/1068970367.db2.gz SNIFOPBNVRPOOC-MPGHIAIKSA-N 0 0 478.641 -0.089 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001541940528 1068970502 /nfs/dbraw/zinc/97/05/02/1068970502.db2.gz SNIFOPBNVRPOOC-RLFYNMQTSA-N 0 0 478.641 -0.089 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001541940529 1068970469 /nfs/dbraw/zinc/97/04/69/1068970469.db2.gz SNIFOPBNVRPOOC-RVKKMQEKSA-N 0 0 478.641 -0.089 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001541940530 1068970461 /nfs/dbraw/zinc/97/04/61/1068970461.db2.gz SNIFOPBNVRPOOC-VKJFTORMSA-N 0 0 478.641 -0.089 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCS(C)(=O)=O ZINC001541940585 1068970426 /nfs/dbraw/zinc/97/04/26/1068970426.db2.gz UOBOIUMEFNZNJF-CVEARBPZSA-N 0 0 478.641 -0.519 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCS(C)(=O)=O ZINC001541940586 1068970374 /nfs/dbraw/zinc/97/03/74/1068970374.db2.gz UOBOIUMEFNZNJF-HOTGVXAUSA-N 0 0 478.641 -0.519 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCCc1cnn(C)c1 ZINC001541940649 1068970432 /nfs/dbraw/zinc/97/04/32/1068970432.db2.gz VXOKSUYUCCSLAF-HNNXBMFYSA-N 0 0 488.640 -0.274 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCCc1cnn(C)c1 ZINC001541940650 1068970420 /nfs/dbraw/zinc/97/04/20/1068970420.db2.gz VXOKSUYUCCSLAF-OAHLLOKOSA-N 0 0 488.640 -0.274 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC1(C)CC1 ZINC001541940675 1068970399 /nfs/dbraw/zinc/97/03/99/1068970399.db2.gz WLSUULJRDGFJLE-CYBMUJFWSA-N 0 0 453.569 -0.384 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC1(C)CC1 ZINC001541940676 1068970456 /nfs/dbraw/zinc/97/04/56/1068970456.db2.gz WLSUULJRDGFJLE-ZDUSSCGKSA-N 0 0 453.569 -0.384 20 0 JBADRN 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC1(O)CCC1 ZINC001541941282 1068971423 /nfs/dbraw/zinc/97/14/23/1068971423.db2.gz HXMQVQZIOYCCGN-OAHLLOKOSA-N 0 0 471.584 -0.623 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001541941357 1068971436 /nfs/dbraw/zinc/97/14/36/1068971436.db2.gz JCWXDGRLOSMZON-GFCCVEGCSA-N 0 0 453.500 -0.056 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001541941358 1068971307 /nfs/dbraw/zinc/97/13/07/1068971307.db2.gz JCWXDGRLOSMZON-LBPRGKRZSA-N 0 0 453.500 -0.056 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CC(=O)NCC(F)F ZINC001541941367 1068971323 /nfs/dbraw/zinc/97/13/23/1068971323.db2.gz JETQLXLHPLDVQO-CYBMUJFWSA-N 0 0 492.553 -0.393 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CC(=O)NCC(F)F ZINC001541941368 1068971458 /nfs/dbraw/zinc/97/14/58/1068971458.db2.gz JETQLXLHPLDVQO-ZDUSSCGKSA-N 0 0 492.553 -0.393 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCn1cncn1 ZINC001541941423 1068971329 /nfs/dbraw/zinc/97/13/29/1068971329.db2.gz KHHYHZLGJFEEMW-HNNXBMFYSA-N 0 0 466.572 -0.482 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCn1cncn1 ZINC001541941424 1068971317 /nfs/dbraw/zinc/97/13/17/1068971317.db2.gz KHHYHZLGJFEEMW-OAHLLOKOSA-N 0 0 466.572 -0.482 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1Cc1cnnn1C ZINC001541941471 1068971365 /nfs/dbraw/zinc/97/13/65/1068971365.db2.gz LFRAIEZFTRBWPW-INIZCTEOSA-N 0 0 487.590 -0.044 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1Cc1cnnn1C ZINC001541941472 1068971754 /nfs/dbraw/zinc/97/17/54/1068971754.db2.gz LFRAIEZFTRBWPW-MRXNPFEDSA-N 0 0 487.590 -0.044 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H]1CC=CCO1 ZINC001541941599 1068971880 /nfs/dbraw/zinc/97/18/80/1068971880.db2.gz NHJFOQWRCPNLIB-MSOLQXFVSA-N 0 0 497.622 -0.786 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H]1CC=CCO1 ZINC001541941600 1068971826 /nfs/dbraw/zinc/97/18/26/1068971826.db2.gz NHJFOQWRCPNLIB-QZTJIDSGSA-N 0 0 497.622 -0.786 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H]1CC=CCO1 ZINC001541941601 1068971742 /nfs/dbraw/zinc/97/17/42/1068971742.db2.gz NHJFOQWRCPNLIB-ROUUACIJSA-N 0 0 497.622 -0.786 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H]1CC=CCO1 ZINC001541941602 1068971786 /nfs/dbraw/zinc/97/17/86/1068971786.db2.gz NHJFOQWRCPNLIB-ZWKOTPCHSA-N 0 0 497.622 -0.786 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCc1ccn(C)n1 ZINC001541941707 1068971823 /nfs/dbraw/zinc/97/18/23/1068971823.db2.gz PCLAYTIQTMEUMS-CVEARBPZSA-N 0 0 493.638 -0.346 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCc1ccn(C)n1 ZINC001541941708 1068971795 /nfs/dbraw/zinc/97/17/95/1068971795.db2.gz PCLAYTIQTMEUMS-HOTGVXAUSA-N 0 0 493.638 -0.346 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCc1ccn(C)n1 ZINC001541941709 1068971870 /nfs/dbraw/zinc/97/18/70/1068971870.db2.gz PCLAYTIQTMEUMS-HZPDHXFCSA-N 0 0 493.638 -0.346 20 0 JBADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)CC1 ZINC001541941710 1068971867 /nfs/dbraw/zinc/97/18/67/1068971867.db2.gz PCLAYTIQTMEUMS-JKSUJKDBSA-N 0 0 493.638 -0.346 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1COCCO1 ZINC001541941761 1068972233 /nfs/dbraw/zinc/97/22/33/1068972233.db2.gz PTUCACXUMBPQQB-CABCVRRESA-N 0 0 473.600 -0.066 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1COCCO1 ZINC001541941762 1068972280 /nfs/dbraw/zinc/97/22/80/1068972280.db2.gz PTUCACXUMBPQQB-GJZGRUSLSA-N 0 0 473.600 -0.066 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1COCCO1 ZINC001541941763 1068972413 /nfs/dbraw/zinc/97/24/13/1068972413.db2.gz PTUCACXUMBPQQB-HUUCEWRRSA-N 0 0 473.600 -0.066 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1COCCO1 ZINC001541941764 1068972424 /nfs/dbraw/zinc/97/24/24/1068972424.db2.gz PTUCACXUMBPQQB-LSDHHAIUSA-N 0 0 473.600 -0.066 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1Cc1cnnn1C ZINC001541941783 1068972352 /nfs/dbraw/zinc/97/23/52/1068972352.db2.gz QFJFOIZDDNVDJX-HNNXBMFYSA-N 0 0 480.599 -0.207 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1Cc1cnnn1C ZINC001541941784 1068972317 /nfs/dbraw/zinc/97/23/17/1068972317.db2.gz QFJFOIZDDNVDJX-OAHLLOKOSA-N 0 0 480.599 -0.207 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccco3)CC2)n1C[C@H]1COCCO1 ZINC001541941789 1068972343 /nfs/dbraw/zinc/97/23/43/1068972343.db2.gz QKMLWIQUISWDKA-CABCVRRESA-N 0 0 468.536 -0.141 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccco3)CC2)n1C[C@H]1COCCO1 ZINC001541941790 1068972360 /nfs/dbraw/zinc/97/23/60/1068972360.db2.gz QKMLWIQUISWDKA-GJZGRUSLSA-N 0 0 468.536 -0.141 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001541941813 1068972256 /nfs/dbraw/zinc/97/22/56/1068972256.db2.gz RCOUZSKXUKGBTN-AUSJPIAWSA-N 0 0 483.595 -0.806 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001541941814 1068972225 /nfs/dbraw/zinc/97/22/25/1068972225.db2.gz RCOUZSKXUKGBTN-AVYPCKFXSA-N 0 0 483.595 -0.806 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001541941815 1068972387 /nfs/dbraw/zinc/97/23/87/1068972387.db2.gz RCOUZSKXUKGBTN-BXTJHSDWSA-N 0 0 483.595 -0.806 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001541941816 1068972427 /nfs/dbraw/zinc/97/24/27/1068972427.db2.gz RCOUZSKXUKGBTN-MDOVXXIYSA-N 0 0 483.595 -0.806 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCOCCCO ZINC001541942017 1068972782 /nfs/dbraw/zinc/97/27/82/1068972782.db2.gz VMXLBDPFMFHHEG-INIZCTEOSA-N 0 0 473.600 -0.375 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCOCCCO ZINC001541942018 1068972632 /nfs/dbraw/zinc/97/26/32/1068972632.db2.gz VMXLBDPFMFHHEG-MRXNPFEDSA-N 0 0 473.600 -0.375 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H]1CCCOC1 ZINC001541942069 1068972732 /nfs/dbraw/zinc/97/27/32/1068972732.db2.gz WNFOJCVCQRGQBZ-DLBZAZTESA-N 0 0 485.611 -0.111 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H]1CCCOC1 ZINC001541942070 1068972743 /nfs/dbraw/zinc/97/27/43/1068972743.db2.gz WNFOJCVCQRGQBZ-IAGOWNOFSA-N 0 0 485.611 -0.111 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCCOC1 ZINC001541942071 1068972598 /nfs/dbraw/zinc/97/25/98/1068972598.db2.gz WNFOJCVCQRGQBZ-IRXDYDNUSA-N 0 0 485.611 -0.111 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCCOC1 ZINC001541942072 1068972653 /nfs/dbraw/zinc/97/26/53/1068972653.db2.gz WNFOJCVCQRGQBZ-SJORKVTESA-N 0 0 485.611 -0.111 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001541942085 1068972681 /nfs/dbraw/zinc/97/26/81/1068972681.db2.gz WRSRDPZKCDSFHE-BFHYXJOUSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001541942086 1068972624 /nfs/dbraw/zinc/97/26/24/1068972624.db2.gz WRSRDPZKCDSFHE-IHRRRGAJSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001541942087 1068972722 /nfs/dbraw/zinc/97/27/22/1068972722.db2.gz WRSRDPZKCDSFHE-MELADBBJSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001541942088 1068972700 /nfs/dbraw/zinc/97/27/00/1068972700.db2.gz WRSRDPZKCDSFHE-MJBXVCDLSA-N 0 0 462.598 -0.620 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1Cc1cnnn1C ZINC001541942189 1068972789 /nfs/dbraw/zinc/97/27/89/1068972789.db2.gz YYIYQBYAMONXEU-AWEZNQCLSA-N 0 0 466.572 -0.597 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1Cc1cnnn1C ZINC001541942190 1068972805 /nfs/dbraw/zinc/97/28/05/1068972805.db2.gz YYIYQBYAMONXEU-CQSZACIVSA-N 0 0 466.572 -0.597 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CC1(O)CCOCC1 ZINC001541942241 1068972713 /nfs/dbraw/zinc/97/27/13/1068972713.db2.gz ZTSWOZOOUXPYLY-INIZCTEOSA-N 0 0 485.611 -0.232 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CC1(O)CCOCC1 ZINC001541942242 1068973152 /nfs/dbraw/zinc/97/31/52/1068973152.db2.gz ZTSWOZOOUXPYLY-MRXNPFEDSA-N 0 0 485.611 -0.232 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccnn3)CC2)n1CC(=O)NCC(F)(F)F ZINC001541942275 1068973202 /nfs/dbraw/zinc/97/32/02/1068973202.db2.gz AGMIKAZBLWEIHP-GFCCVEGCSA-N 0 0 491.500 -0.317 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccnn3)CC2)n1CC(=O)NCC(F)(F)F ZINC001541942276 1068973252 /nfs/dbraw/zinc/97/32/52/1068973252.db2.gz AGMIKAZBLWEIHP-LBPRGKRZSA-N 0 0 491.500 -0.317 20 0 JBADRN 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H]1CCCO1 ZINC001541943283 1068973720 /nfs/dbraw/zinc/97/37/20/1068973720.db2.gz SNZHHCLEMZRHBC-DZGCQCFKSA-N 0 0 452.541 -0.346 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H]1CCCO1 ZINC001541943284 1068973700 /nfs/dbraw/zinc/97/37/00/1068973700.db2.gz SNZHHCLEMZRHBC-HIFRSBDPSA-N 0 0 452.541 -0.346 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H]1CCCO1 ZINC001541943285 1068973809 /nfs/dbraw/zinc/97/38/09/1068973809.db2.gz SNZHHCLEMZRHBC-UKRRQHHQSA-N 0 0 452.541 -0.346 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H]1CCCO1 ZINC001541943286 1068973772 /nfs/dbraw/zinc/97/37/72/1068973772.db2.gz SNZHHCLEMZRHBC-ZFWWWQNUSA-N 0 0 452.541 -0.346 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC1(O)CCCC1 ZINC001541943581 1068973694 /nfs/dbraw/zinc/97/36/94/1068973694.db2.gz YWUFNHUKOXFDDG-AWEZNQCLSA-N 0 0 466.568 -0.220 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC1(O)CCCC1 ZINC001541943582 1068973712 /nfs/dbraw/zinc/97/37/12/1068973712.db2.gz YWUFNHUKOXFDDG-CQSZACIVSA-N 0 0 466.568 -0.220 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CSCCS1 ZINC001541943659 1068973660 /nfs/dbraw/zinc/97/36/60/1068973660.db2.gz AUFFSBUIROSACL-CHWSQXEVSA-N 0 0 484.695 -0.182 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CSCCS1 ZINC001541943660 1068973780 /nfs/dbraw/zinc/97/37/80/1068973780.db2.gz AUFFSBUIROSACL-OLZOCXBDSA-N 0 0 484.695 -0.182 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CSCCS1 ZINC001541943661 1068973668 /nfs/dbraw/zinc/97/36/68/1068973668.db2.gz AUFFSBUIROSACL-QWHCGFSZSA-N 0 0 484.695 -0.182 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CSCCS1 ZINC001541943662 1068974209 /nfs/dbraw/zinc/97/42/09/1068974209.db2.gz AUFFSBUIROSACL-STQMWFEESA-N 0 0 484.695 -0.182 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001541943687 1068974118 /nfs/dbraw/zinc/97/41/18/1068974118.db2.gz BOKGVCLNYHRTHE-DLBZAZTESA-N 0 0 496.638 -0.699 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001541943688 1068974150 /nfs/dbraw/zinc/97/41/50/1068974150.db2.gz BOKGVCLNYHRTHE-IAGOWNOFSA-N 0 0 496.638 -0.699 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC1=CCCOC1 ZINC001541943715 1068974175 /nfs/dbraw/zinc/97/41/75/1068974175.db2.gz BYLFHQDMHTUERT-HNNXBMFYSA-N 0 0 467.596 -0.364 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC1=CCCOC1 ZINC001541943716 1068974158 /nfs/dbraw/zinc/97/41/58/1068974158.db2.gz BYLFHQDMHTUERT-OAHLLOKOSA-N 0 0 467.596 -0.364 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1([S@@](C)=O)CCC1 ZINC001541943733 1068974219 /nfs/dbraw/zinc/97/42/19/1068974219.db2.gz CGKJCINRFKTFKW-LEHFNCSKSA-N 0 0 496.681 -0.340 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1([S@](C)=O)CCC1 ZINC001541943734 1068974167 /nfs/dbraw/zinc/97/41/67/1068974167.db2.gz CGKJCINRFKTFKW-ODNVZBEZSA-N 0 0 496.681 -0.340 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1([S@@](C)=O)CCC1 ZINC001541943735 1068974139 /nfs/dbraw/zinc/97/41/39/1068974139.db2.gz CGKJCINRFKTFKW-SHSSRLJWSA-N 0 0 496.681 -0.340 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1([S@](C)=O)CCC1 ZINC001541943736 1068974108 /nfs/dbraw/zinc/97/41/08/1068974108.db2.gz CGKJCINRFKTFKW-WXWKEVLISA-N 0 0 496.681 -0.340 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCn1cc(Cl)cn1 ZINC001541943751 1068974131 /nfs/dbraw/zinc/97/41/31/1068974131.db2.gz CQDGTCXKQXRDMG-GFCCVEGCSA-N 0 0 481.004 -0.480 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCn1cc(Cl)cn1 ZINC001541943752 1068974081 /nfs/dbraw/zinc/97/40/81/1068974081.db2.gz CQDGTCXKQXRDMG-LBPRGKRZSA-N 0 0 481.004 -0.480 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCc1cn2ccccc2n1 ZINC001541943757 1068974199 /nfs/dbraw/zinc/97/41/99/1068974199.db2.gz CSTJHSAOQZKFBU-HNNXBMFYSA-N 0 0 496.619 -0.140 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCc1cn2ccccc2n1 ZINC001541943758 1068974086 /nfs/dbraw/zinc/97/40/86/1068974086.db2.gz CSTJHSAOQZKFBU-OAHLLOKOSA-N 0 0 496.619 -0.140 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CCc1cccnc1 ZINC001541943767 1068974070 /nfs/dbraw/zinc/97/40/70/1068974070.db2.gz DCFGVALPQPKNEW-INIZCTEOSA-N 0 0 476.607 -0.073 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CCc1cccnc1 ZINC001541943768 1068974185 /nfs/dbraw/zinc/97/41/85/1068974185.db2.gz DCFGVALPQPKNEW-MRXNPFEDSA-N 0 0 476.607 -0.073 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(F)cn1 ZINC001541943809 1068974193 /nfs/dbraw/zinc/97/41/93/1068974193.db2.gz DZLLNRCPDDEECC-GFCCVEGCSA-N 0 0 461.545 -0.448 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(F)cn1 ZINC001541943810 1068974496 /nfs/dbraw/zinc/97/44/96/1068974496.db2.gz DZLLNRCPDDEECC-LBPRGKRZSA-N 0 0 461.545 -0.448 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CC(=O)NCC1CC1 ZINC001541943869 1068974628 /nfs/dbraw/zinc/97/46/28/1068974628.db2.gz GAJCWXUAYBUHSA-DOTOQJQBSA-N 0 0 469.612 -0.285 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CC(=O)NCC1CC1 ZINC001541943870 1068974600 /nfs/dbraw/zinc/97/46/00/1068974600.db2.gz GAJCWXUAYBUHSA-NVXWUHKLSA-N 0 0 469.612 -0.285 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CC(=O)NCC1CC1 ZINC001541943871 1068974691 /nfs/dbraw/zinc/97/46/91/1068974691.db2.gz GAJCWXUAYBUHSA-RDJZCZTQSA-N 0 0 469.612 -0.285 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CC(=O)NCC1CC1 ZINC001541943872 1068974665 /nfs/dbraw/zinc/97/46/65/1068974665.db2.gz GAJCWXUAYBUHSA-WBVHZDCISA-N 0 0 469.612 -0.285 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CC1(O)CC1 ZINC001541943993 1068974588 /nfs/dbraw/zinc/97/45/88/1068974588.db2.gz IFALSDMEUXDNJW-INIZCTEOSA-N 0 0 469.612 -0.452 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CC1(O)CC1 ZINC001541943994 1068974555 /nfs/dbraw/zinc/97/45/55/1068974555.db2.gz IFALSDMEUXDNJW-MRXNPFEDSA-N 0 0 469.612 -0.452 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC2(C1)OCCO2 ZINC001541944023 1068974647 /nfs/dbraw/zinc/97/46/47/1068974647.db2.gz IUUYMBDJQBTKOG-CABCVRRESA-N 0 0 492.624 -0.487 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC2(C1)OCCO2 ZINC001541944024 1068974674 /nfs/dbraw/zinc/97/46/74/1068974674.db2.gz IUUYMBDJQBTKOG-GJZGRUSLSA-N 0 0 492.624 -0.487 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001541944025 1068974505 /nfs/dbraw/zinc/97/45/05/1068974505.db2.gz IUUYMBDJQBTKOG-HUUCEWRRSA-N 0 0 492.624 -0.487 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001541944026 1068974542 /nfs/dbraw/zinc/97/45/42/1068974542.db2.gz IUUYMBDJQBTKOG-LSDHHAIUSA-N 0 0 492.624 -0.487 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CCNC(=O)C1CC1 ZINC001541944057 1068975171 /nfs/dbraw/zinc/97/51/71/1068975171.db2.gz JISIUNFOUWSMLD-DOTOQJQBSA-N 0 0 469.612 -0.285 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CCNC(=O)C1CC1 ZINC001541944058 1068974983 /nfs/dbraw/zinc/97/49/83/1068974983.db2.gz JISIUNFOUWSMLD-NVXWUHKLSA-N 0 0 469.612 -0.285 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CCNC(=O)C1CC1 ZINC001541944059 1068975096 /nfs/dbraw/zinc/97/50/96/1068975096.db2.gz JISIUNFOUWSMLD-RDJZCZTQSA-N 0 0 469.612 -0.285 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CCNC(=O)C1CC1 ZINC001541944060 1068974999 /nfs/dbraw/zinc/97/49/99/1068974999.db2.gz JISIUNFOUWSMLD-WBVHZDCISA-N 0 0 469.612 -0.285 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3cscn3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001541944087 1068975040 /nfs/dbraw/zinc/97/50/40/1068975040.db2.gz JXAVFAJZIUMGHT-UONOGXRCSA-N 0 0 468.609 -0.054 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3cscn3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001541944088 1068975127 /nfs/dbraw/zinc/97/51/27/1068975127.db2.gz JXAVFAJZIUMGHT-ZIAGYGMSSA-N 0 0 468.609 -0.054 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3cscn3)CC2)n1CC(=O)N(C)C ZINC001541944179 1068974955 /nfs/dbraw/zinc/97/49/55/1068974955.db2.gz LEEIRLQZNQTYCD-CYBMUJFWSA-N 0 0 456.598 -0.245 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3cscn3)CC2)n1CC(=O)N(C)C ZINC001541944180 1068975054 /nfs/dbraw/zinc/97/50/54/1068975054.db2.gz LEEIRLQZNQTYCD-ZDUSSCGKSA-N 0 0 456.598 -0.245 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC1(O)CCCCC1 ZINC001541944224 1068975163 /nfs/dbraw/zinc/97/51/63/1068975163.db2.gz LZYSEEVFOULDEH-INIZCTEOSA-N 0 0 483.639 -0.016 20 0 JBADRN 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001541944442 1068975605 /nfs/dbraw/zinc/97/56/05/1068975605.db2.gz QGXNQZIHMQUYIT-HNNXBMFYSA-N 0 0 490.652 -0.234 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001541944443 1068975556 /nfs/dbraw/zinc/97/55/56/1068975556.db2.gz QGXNQZIHMQUYIT-OAHLLOKOSA-N 0 0 490.652 -0.234 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3cccs3)CC2)n1CCNS(C)(=O)=O ZINC001541944618 1068975518 /nfs/dbraw/zinc/97/55/18/1068975518.db2.gz UPGAFCVJLDTVDD-AWEZNQCLSA-N 0 0 491.665 -0.179 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3cccs3)CC2)n1CCNS(C)(=O)=O ZINC001541944619 1068975571 /nfs/dbraw/zinc/97/55/71/1068975571.db2.gz UPGAFCVJLDTVDD-CQSZACIVSA-N 0 0 491.665 -0.179 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001541944658 1068975618 /nfs/dbraw/zinc/97/56/18/1068975618.db2.gz VIEBQGWOQBBKPQ-BBWFWOEESA-N 0 0 490.652 -0.376 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001541944659 1068975535 /nfs/dbraw/zinc/97/55/35/1068975535.db2.gz VIEBQGWOQBBKPQ-GVDBMIGSSA-N 0 0 490.652 -0.376 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001541944660 1068975627 /nfs/dbraw/zinc/97/56/27/1068975627.db2.gz VIEBQGWOQBBKPQ-ULQDDVLXSA-N 0 0 490.652 -0.376 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001541944661 1068975541 /nfs/dbraw/zinc/97/55/41/1068975541.db2.gz VIEBQGWOQBBKPQ-YESZJQIVSA-N 0 0 490.652 -0.376 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCOC(C)(C)C ZINC001541944684 1068975624 /nfs/dbraw/zinc/97/56/24/1068975624.db2.gz VPEYQWVYHCCLNX-CYBMUJFWSA-N 0 0 452.603 -0.215 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCOC(C)(C)C ZINC001541944685 1068975545 /nfs/dbraw/zinc/97/55/45/1068975545.db2.gz VPEYQWVYHCCLNX-ZDUSSCGKSA-N 0 0 452.603 -0.215 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC1(O)CCCC1 ZINC001541944704 1068975599 /nfs/dbraw/zinc/97/55/99/1068975599.db2.gz VZIIIQCMYOEMNX-KRWDZBQOSA-N 0 0 483.639 -0.062 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC1(O)CCCC1 ZINC001541944705 1068975551 /nfs/dbraw/zinc/97/55/51/1068975551.db2.gz VZIIIQCMYOEMNX-QGZVFWFLSA-N 0 0 483.639 -0.062 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001541944724 1068975565 /nfs/dbraw/zinc/97/55/65/1068975565.db2.gz WEILXVZODNGKLF-CXAGYDPISA-N 0 0 492.649 -0.061 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@](C)(O)c1cccs1 ZINC001541944725 1068975942 /nfs/dbraw/zinc/97/59/42/1068975942.db2.gz WEILXVZODNGKLF-DYVFJYSZSA-N 0 0 492.649 -0.061 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@](C)(O)c1cccs1 ZINC001541944726 1068975874 /nfs/dbraw/zinc/97/58/74/1068975874.db2.gz WEILXVZODNGKLF-GUYCJALGSA-N 0 0 492.649 -0.061 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001541944727 1068975971 /nfs/dbraw/zinc/97/59/71/1068975971.db2.gz WEILXVZODNGKLF-SUMWQHHRSA-N 0 0 492.649 -0.061 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC(=O)N1CCOCC1 ZINC001541944790 1068975896 /nfs/dbraw/zinc/97/58/96/1068975896.db2.gz XJCBFEWVUFPUPV-CYBMUJFWSA-N 0 0 483.517 -0.569 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC(=O)N1CCOCC1 ZINC001541944791 1068976032 /nfs/dbraw/zinc/97/60/32/1068976032.db2.gz XJCBFEWVUFPUPV-ZDUSSCGKSA-N 0 0 483.517 -0.569 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCCS(C)(=O)=O ZINC001541944832 1068976005 /nfs/dbraw/zinc/97/60/05/1068976005.db2.gz XZGCOWYOJBDQQO-CVEARBPZSA-N 0 0 478.641 -0.519 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCCS(C)(=O)=O ZINC001541944833 1068975957 /nfs/dbraw/zinc/97/59/57/1068975957.db2.gz XZGCOWYOJBDQQO-HOTGVXAUSA-N 0 0 478.641 -0.519 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCCS(C)(=O)=O ZINC001541944834 1068975884 /nfs/dbraw/zinc/97/58/84/1068975884.db2.gz XZGCOWYOJBDQQO-HZPDHXFCSA-N 0 0 478.641 -0.519 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCCS(C)(=O)=O ZINC001541944835 1068976037 /nfs/dbraw/zinc/97/60/37/1068976037.db2.gz XZGCOWYOJBDQQO-JKSUJKDBSA-N 0 0 478.641 -0.519 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H]1CCCO1 ZINC001541944856 1068976026 /nfs/dbraw/zinc/97/60/26/1068976026.db2.gz YISCXXNHNBWCPD-GDBMZVCRSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H]1CCCO1 ZINC001541944857 1068975933 /nfs/dbraw/zinc/97/59/33/1068975933.db2.gz YISCXXNHNBWCPD-GOEBONIOSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@H]1CCCO1 ZINC001541944858 1068975987 /nfs/dbraw/zinc/97/59/87/1068975987.db2.gz YISCXXNHNBWCPD-HOCLYGCPSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@H]1CCCO1 ZINC001541944859 1068975847 /nfs/dbraw/zinc/97/58/47/1068975847.db2.gz YISCXXNHNBWCPD-ZBFHGGJFSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@@]1(O)CCOC1 ZINC001541944918 1068975909 /nfs/dbraw/zinc/97/59/09/1068975909.db2.gz ZEJKQTHCTDHCIR-BXWFABGCSA-N 0 0 458.585 -0.659 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@@]1(O)CCOC1 ZINC001541944919 1068976271 /nfs/dbraw/zinc/97/62/71/1068976271.db2.gz ZEJKQTHCTDHCIR-FCEWJHQRSA-N 0 0 458.585 -0.659 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@]1(O)CCOC1 ZINC001541944920 1068976320 /nfs/dbraw/zinc/97/63/20/1068976320.db2.gz ZEJKQTHCTDHCIR-FRQCXROJSA-N 0 0 458.585 -0.659 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@]1(O)CCOC1 ZINC001541944921 1068976250 /nfs/dbraw/zinc/97/62/50/1068976250.db2.gz ZEJKQTHCTDHCIR-TXPKVOOTSA-N 0 0 458.585 -0.659 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001541945038 1068976304 /nfs/dbraw/zinc/97/63/04/1068976304.db2.gz AVJHBNBLHKTJDK-INIZCTEOSA-N 0 0 490.590 -0.827 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001541945039 1068976379 /nfs/dbraw/zinc/97/63/79/1068976379.db2.gz AVJHBNBLHKTJDK-MRXNPFEDSA-N 0 0 490.590 -0.827 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[C@H]1CCOC1 ZINC001541945060 1068976212 /nfs/dbraw/zinc/97/62/12/1068976212.db2.gz BCIVTJYQCNDJNV-KKUMJFAQSA-N 0 0 464.614 -0.215 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[C@@H]1CCOC1 ZINC001541945061 1068976351 /nfs/dbraw/zinc/97/63/51/1068976351.db2.gz BCIVTJYQCNDJNV-RRFJBIMHSA-N 0 0 464.614 -0.215 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[C@@H]1CCOC1 ZINC001541945062 1068976395 /nfs/dbraw/zinc/97/63/95/1068976395.db2.gz BCIVTJYQCNDJNV-SOUVJXGZSA-N 0 0 464.614 -0.215 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[C@H]1CCOC1 ZINC001541945063 1068976283 /nfs/dbraw/zinc/97/62/83/1068976283.db2.gz BCIVTJYQCNDJNV-ZNMIVQPWSA-N 0 0 464.614 -0.215 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001541945070 1068976290 /nfs/dbraw/zinc/97/62/90/1068976290.db2.gz BFYHQTWXVVZNNH-AWEZNQCLSA-N 0 0 455.585 -0.137 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001541945071 1068976384 /nfs/dbraw/zinc/97/63/84/1068976384.db2.gz BFYHQTWXVVZNNH-CQSZACIVSA-N 0 0 455.585 -0.137 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC1(S(C)(=O)=O)CC1 ZINC001541945076 1068976370 /nfs/dbraw/zinc/97/63/70/1068976370.db2.gz BIGITBSETJGILN-CHWSQXEVSA-N 0 0 475.597 -0.979 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC1(S(C)(=O)=O)CC1 ZINC001541945077 1068976295 /nfs/dbraw/zinc/97/62/95/1068976295.db2.gz BIGITBSETJGILN-OLZOCXBDSA-N 0 0 475.597 -0.979 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC1(S(C)(=O)=O)CC1 ZINC001541945078 1068976343 /nfs/dbraw/zinc/97/63/43/1068976343.db2.gz BIGITBSETJGILN-QWHCGFSZSA-N 0 0 475.597 -0.979 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC1(S(C)(=O)=O)CC1 ZINC001541945079 1068976241 /nfs/dbraw/zinc/97/62/41/1068976241.db2.gz BIGITBSETJGILN-STQMWFEESA-N 0 0 475.597 -0.979 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC(C)(C)N1CCOCC1 ZINC001541945080 1068976311 /nfs/dbraw/zinc/97/63/11/1068976311.db2.gz BJOWWAXSUYNVGB-CVEARBPZSA-N 0 0 469.612 -0.190 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC(C)(C)N1CCOCC1 ZINC001541945081 1068976360 /nfs/dbraw/zinc/97/63/60/1068976360.db2.gz BJOWWAXSUYNVGB-HOTGVXAUSA-N 0 0 469.612 -0.190 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC(C)(C)N1CCOCC1 ZINC001541945082 1068976332 /nfs/dbraw/zinc/97/63/32/1068976332.db2.gz BJOWWAXSUYNVGB-HZPDHXFCSA-N 0 0 469.612 -0.190 20 0 JBADRN 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC(=O)N1CCCCC1 ZINC001541945218 1068976845 /nfs/dbraw/zinc/97/68/45/1068976845.db2.gz DJDTWJQIAWJBIA-CABCVRRESA-N 0 0 468.584 -0.495 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC(=O)N1CCCCC1 ZINC001541945219 1068976750 /nfs/dbraw/zinc/97/67/50/1068976750.db2.gz DJDTWJQIAWJBIA-GJZGRUSLSA-N 0 0 468.584 -0.495 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC(=O)N1CCCCC1 ZINC001541945220 1068976849 /nfs/dbraw/zinc/97/68/49/1068976849.db2.gz DJDTWJQIAWJBIA-HUUCEWRRSA-N 0 0 468.584 -0.495 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC(=O)N1CCCCC1 ZINC001541945221 1068976761 /nfs/dbraw/zinc/97/67/61/1068976761.db2.gz DJDTWJQIAWJBIA-LSDHHAIUSA-N 0 0 468.584 -0.495 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CC(=O)NCC(F)F ZINC001541945250 1068976868 /nfs/dbraw/zinc/97/68/68/1068976868.db2.gz DPKUKOZYTFDVOZ-HWPZZCPQSA-N 0 0 465.483 -0.700 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CC(=O)NCC(F)F ZINC001541945251 1068976728 /nfs/dbraw/zinc/97/67/28/1068976728.db2.gz DPKUKOZYTFDVOZ-MGPLVRAMSA-N 0 0 465.483 -0.700 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CC(=O)NCC(F)F ZINC001541945252 1068976667 /nfs/dbraw/zinc/97/66/67/1068976667.db2.gz DPKUKOZYTFDVOZ-QFYYESIMSA-N 0 0 465.483 -0.700 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CC(=O)NCC(F)F ZINC001541945253 1068976813 /nfs/dbraw/zinc/97/68/13/1068976813.db2.gz DPKUKOZYTFDVOZ-QLJPJBMISA-N 0 0 465.483 -0.700 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 ZINC001541945388 1068976817 /nfs/dbraw/zinc/97/68/17/1068976817.db2.gz GIKHCCZYYCWFHA-UONOGXRCSA-N 0 0 451.557 -0.773 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 ZINC001541945389 1068976683 /nfs/dbraw/zinc/97/66/83/1068976683.db2.gz GIKHCCZYYCWFHA-ZIAGYGMSSA-N 0 0 451.557 -0.773 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@H]1NC(=O)CC1(C)C ZINC001541945402 1068977247 /nfs/dbraw/zinc/97/72/47/1068977247.db2.gz GNWRVKXHRXPHOH-BFHYXJOUSA-N 0 0 468.584 -0.641 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001541945403 1068977342 /nfs/dbraw/zinc/97/73/42/1068977342.db2.gz GNWRVKXHRXPHOH-IHRRRGAJSA-N 0 0 468.584 -0.641 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@H]1NC(=O)CC1(C)C ZINC001541945404 1068977346 /nfs/dbraw/zinc/97/73/46/1068977346.db2.gz GNWRVKXHRXPHOH-MELADBBJSA-N 0 0 468.584 -0.641 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001541945405 1068977238 /nfs/dbraw/zinc/97/72/38/1068977238.db2.gz GNWRVKXHRXPHOH-MJBXVCDLSA-N 0 0 468.584 -0.641 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 ZINC001541945406 1068977198 /nfs/dbraw/zinc/97/71/98/1068977198.db2.gz GOBLNRNBORRIOO-CYBMUJFWSA-N 0 0 463.520 -0.171 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 ZINC001541945407 1068977295 /nfs/dbraw/zinc/97/72/95/1068977295.db2.gz GOBLNRNBORRIOO-ZDUSSCGKSA-N 0 0 463.520 -0.171 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001541945468 1068977187 /nfs/dbraw/zinc/97/71/87/1068977187.db2.gz HRMOPTBKGUBALG-ARFHVFGLSA-N 0 0 460.626 -0.003 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001541945469 1068977312 /nfs/dbraw/zinc/97/73/12/1068977312.db2.gz HRMOPTBKGUBALG-HRCADAONSA-N 0 0 460.626 -0.003 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001541945470 1068977276 /nfs/dbraw/zinc/97/72/76/1068977276.db2.gz HRMOPTBKGUBALG-JYJNAYRXSA-N 0 0 460.626 -0.003 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001541945471 1068977203 /nfs/dbraw/zinc/97/72/03/1068977203.db2.gz HRMOPTBKGUBALG-XHSDSOJGSA-N 0 0 460.626 -0.003 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccc(Cl)s1 ZINC001541945566 1068977233 /nfs/dbraw/zinc/97/72/33/1068977233.db2.gz IVDJYXYTGFCLHP-GHMZBOCLSA-N 0 0 487.995 -0.202 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccc(Cl)s1 ZINC001541945567 1068977355 /nfs/dbraw/zinc/97/73/55/1068977355.db2.gz IVDJYXYTGFCLHP-MNOVXSKESA-N 0 0 487.995 -0.202 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccc(Cl)s1 ZINC001541945568 1068977225 /nfs/dbraw/zinc/97/72/25/1068977225.db2.gz IVDJYXYTGFCLHP-QWRGUYRKSA-N 0 0 487.995 -0.202 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccc(Cl)s1 ZINC001541945569 1068977263 /nfs/dbraw/zinc/97/72/63/1068977263.db2.gz IVDJYXYTGFCLHP-WDEREUQCSA-N 0 0 487.995 -0.202 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001541945570 1068977271 /nfs/dbraw/zinc/97/72/71/1068977271.db2.gz IVECWHLHWXBAFS-CABCVRRESA-N 0 0 482.611 -0.249 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001541945571 1068977863 /nfs/dbraw/zinc/97/78/63/1068977863.db2.gz IVECWHLHWXBAFS-GJZGRUSLSA-N 0 0 482.611 -0.249 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001541945572 1068977831 /nfs/dbraw/zinc/97/78/31/1068977831.db2.gz IVECWHLHWXBAFS-HUUCEWRRSA-N 0 0 482.611 -0.249 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001541945573 1068977764 /nfs/dbraw/zinc/97/77/64/1068977764.db2.gz IVECWHLHWXBAFS-LSDHHAIUSA-N 0 0 482.611 -0.249 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccccc1CN1CCOCC1 ZINC001541945648 1068977724 /nfs/dbraw/zinc/97/77/24/1068977724.db2.gz JYFVDFDSPDJVEG-INIZCTEOSA-N 0 0 477.591 -0.295 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccccc1CN1CCOCC1 ZINC001541945649 1068977784 /nfs/dbraw/zinc/97/77/84/1068977784.db2.gz JYFVDFDSPDJVEG-MRXNPFEDSA-N 0 0 477.591 -0.295 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@@H]1CCCCS1(=O)=O ZINC001541945654 1068977884 /nfs/dbraw/zinc/97/78/84/1068977884.db2.gz KADIVAKTVOTGHY-KKUMJFAQSA-N 0 0 474.609 -0.333 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@H]1CCCCS1(=O)=O ZINC001541945655 1068977770 /nfs/dbraw/zinc/97/77/70/1068977770.db2.gz KADIVAKTVOTGHY-RRFJBIMHSA-N 0 0 474.609 -0.333 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@H]1CCCCS1(=O)=O ZINC001541945656 1068977694 /nfs/dbraw/zinc/97/76/94/1068977694.db2.gz KADIVAKTVOTGHY-SOUVJXGZSA-N 0 0 474.609 -0.333 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@@H]1CCCCS1(=O)=O ZINC001541945657 1068977841 /nfs/dbraw/zinc/97/78/41/1068977841.db2.gz KADIVAKTVOTGHY-ZNMIVQPWSA-N 0 0 474.609 -0.333 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945670 1068977737 /nfs/dbraw/zinc/97/77/37/1068977737.db2.gz KDGAZDBRCZHPLA-DLBZAZTESA-N 0 0 471.628 -0.480 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945671 1068977799 /nfs/dbraw/zinc/97/77/99/1068977799.db2.gz KDGAZDBRCZHPLA-IAGOWNOFSA-N 0 0 471.628 -0.480 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945672 1068977867 /nfs/dbraw/zinc/97/78/67/1068977867.db2.gz KDGAZDBRCZHPLA-IRXDYDNUSA-N 0 0 471.628 -0.480 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN1CCOC(C)(C)C1 ZINC001541945673 1068978149 /nfs/dbraw/zinc/97/81/49/1068978149.db2.gz KDGAZDBRCZHPLA-SJORKVTESA-N 0 0 471.628 -0.480 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945700 1068978249 /nfs/dbraw/zinc/97/82/49/1068978249.db2.gz KNKGDWNVRKCVGS-CVEARBPZSA-N 0 0 464.596 -0.082 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945701 1068978358 /nfs/dbraw/zinc/97/83/58/1068978358.db2.gz KNKGDWNVRKCVGS-HOTGVXAUSA-N 0 0 464.596 -0.082 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945702 1068978322 /nfs/dbraw/zinc/97/83/22/1068978322.db2.gz KNKGDWNVRKCVGS-HZPDHXFCSA-N 0 0 464.596 -0.082 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1Cc1ncccc1N(C)C ZINC001541945703 1068978192 /nfs/dbraw/zinc/97/81/92/1068978192.db2.gz KNKGDWNVRKCVGS-JKSUJKDBSA-N 0 0 464.596 -0.082 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945728 1068978212 /nfs/dbraw/zinc/97/82/12/1068978212.db2.gz KTPWHSBZVFKKQD-KBPBESRZSA-N 0 0 469.534 -0.097 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945729 1068978285 /nfs/dbraw/zinc/97/82/85/1068978285.db2.gz KTPWHSBZVFKKQD-KGLIPLIRSA-N 0 0 469.534 -0.097 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945730 1068978312 /nfs/dbraw/zinc/97/83/12/1068978312.db2.gz KTPWHSBZVFKKQD-UONOGXRCSA-N 0 0 469.534 -0.097 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541945731 1068978136 /nfs/dbraw/zinc/97/81/36/1068978136.db2.gz KTPWHSBZVFKKQD-ZIAGYGMSSA-N 0 0 469.534 -0.097 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC1CC(C)(C)C1 ZINC001541945838 1068978340 /nfs/dbraw/zinc/97/83/40/1068978340.db2.gz MFGHYVRHNBXZBD-GXTWGEPZSA-N 0 0 453.569 -0.529 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC1CC(C)(C)C1 ZINC001541945839 1068978131 /nfs/dbraw/zinc/97/81/31/1068978131.db2.gz MFGHYVRHNBXZBD-JSGCOSHPSA-N 0 0 453.569 -0.529 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC1CC(C)(C)C1 ZINC001541945840 1068978278 /nfs/dbraw/zinc/97/82/78/1068978278.db2.gz MFGHYVRHNBXZBD-OCCSQVGLSA-N 0 0 453.569 -0.529 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC1CC(C)(C)C1 ZINC001541945841 1068978716 /nfs/dbraw/zinc/97/87/16/1068978716.db2.gz MFGHYVRHNBXZBD-TZMCWYRMSA-N 0 0 453.569 -0.529 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCCOC[C@H]1CCOC1 ZINC001541945880 1068978781 /nfs/dbraw/zinc/97/87/81/1068978781.db2.gz MOWYGYAYPIVBRT-BBWFWOEESA-N 0 0 485.611 -0.113 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCCOC[C@H]1CCOC1 ZINC001541945881 1068978655 /nfs/dbraw/zinc/97/86/55/1068978655.db2.gz MOWYGYAYPIVBRT-GVDBMIGSSA-N 0 0 485.611 -0.113 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCCOC[C@@H]1CCOC1 ZINC001541945882 1068978606 /nfs/dbraw/zinc/97/86/06/1068978606.db2.gz MOWYGYAYPIVBRT-ULQDDVLXSA-N 0 0 485.611 -0.113 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCCOC[C@@H]1CCOC1 ZINC001541945883 1068978729 /nfs/dbraw/zinc/97/87/29/1068978729.db2.gz MOWYGYAYPIVBRT-YESZJQIVSA-N 0 0 485.611 -0.113 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1Cc1nncn1-c1ccccc1 ZINC001541945930 1068978625 /nfs/dbraw/zinc/97/86/25/1068978625.db2.gz NKSUOONUAVQPBW-AWEZNQCLSA-N 0 0 459.536 -0.156 20 0 JBADRN 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20 0 JBADRN Cc1nccn1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001542977116 1068989642 /nfs/dbraw/zinc/98/96/42/1068989642.db2.gz GNXXSOSUNGLNFW-INIZCTEOSA-N 0 0 466.568 -0.515 20 0 JBADRN Cc1nccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001542977117 1068989534 /nfs/dbraw/zinc/98/95/34/1068989534.db2.gz GNXXSOSUNGLNFW-MRXNPFEDSA-N 0 0 466.568 -0.515 20 0 JBADRN Cc1nccn1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001542977247 1068990062 /nfs/dbraw/zinc/99/00/62/1068990062.db2.gz JWNDKEMEZIKMMK-INIZCTEOSA-N 0 0 471.609 -0.225 20 0 JBADRN Cc1nccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001542977248 1068990015 /nfs/dbraw/zinc/99/00/15/1068990015.db2.gz JWNDKEMEZIKMMK-MRXNPFEDSA-N 0 0 471.609 -0.225 20 0 JBADRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN(CC(N)=O)C3)cc2)CC1 ZINC001542977899 1068989992 /nfs/dbraw/zinc/98/99/92/1068989992.db2.gz APVCPAHMCQIDTD-KRWDZBQOSA-N 0 0 451.549 -0.781 20 0 JBADRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCN(CC(N)=O)C3)cc2)CC1 ZINC001542977900 1068990033 /nfs/dbraw/zinc/99/00/33/1068990033.db2.gz APVCPAHMCQIDTD-QGZVFWFLSA-N 0 0 451.549 -0.781 20 0 JBADRN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@H](CC(=O)N[C@@H]1CCCN(CC(N)=O)C1)CS2(=O)=O ZINC001542978460 1068989925 /nfs/dbraw/zinc/98/99/25/1068989925.db2.gz PRBVBODRFFXZGB-FPCVCCKLSA-N 0 0 458.581 -0.278 20 0 JBADRN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H]3CCCN(CC(N)=O)C3)CS(=O)(=O)[C@@H]2C1 ZINC001542978461 1068990097 /nfs/dbraw/zinc/99/00/97/1068990097.db2.gz PRBVBODRFFXZGB-KLHDSHLOSA-N 0 0 458.581 -0.278 20 0 JBADRN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@H]3CCCN(CC(N)=O)C3)CS(=O)(=O)[C@@H]2C1 ZINC001542978462 1068990149 /nfs/dbraw/zinc/99/01/49/1068990149.db2.gz PRBVBODRFFXZGB-QKPAOTATSA-N 0 0 458.581 -0.278 20 0 JBADRN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@H](CC(=O)N[C@H]1CCCN(CC(N)=O)C1)CS2(=O)=O ZINC001542978463 1068989982 /nfs/dbraw/zinc/98/99/82/1068989982.db2.gz PRBVBODRFFXZGB-QXSJWSMHSA-N 0 0 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Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N1CCOCC1 ZINC001542987393 1068989969 /nfs/dbraw/zinc/98/99/69/1068989969.db2.gz STDOHMGAGWHRAE-AWEZNQCLSA-N 0 0 468.584 -0.266 20 0 JBADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N1CCOCC1 ZINC001542987394 1068989909 /nfs/dbraw/zinc/98/99/09/1068989909.db2.gz STDOHMGAGWHRAE-CQSZACIVSA-N 0 0 468.584 -0.266 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001542994113 1068989947 /nfs/dbraw/zinc/98/99/47/1068989947.db2.gz BMEIVQNMHCTQKV-UHFFFAOYSA-N 0 0 471.566 -0.258 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001542994215 1068990130 /nfs/dbraw/zinc/99/01/30/1068990130.db2.gz DWRBOHRCLIBPCM-GXTWGEPZSA-N 0 0 459.598 -0.090 20 0 JBADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001542994216 1068990077 /nfs/dbraw/zinc/99/00/77/1068990077.db2.gz DWRBOHRCLIBPCM-JSGCOSHPSA-N 0 0 459.598 -0.090 20 0 JBADRN 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CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 ZINC001546847152 1069023369 /nfs/dbraw/zinc/02/33/69/1069023369.db2.gz YTOSIQAENPZCJY-PXNSSMCTSA-N 0 0 474.628 -0.070 20 0 JBADRN CCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 ZINC001546847153 1069023631 /nfs/dbraw/zinc/02/36/31/1069023631.db2.gz YTOSIQAENPZCJY-XLIONFOSSA-N 0 0 474.628 -0.070 20 0 JBADRN CCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 ZINC001546847154 1069023713 /nfs/dbraw/zinc/02/37/13/1069023713.db2.gz YTOSIQAENPZCJY-YLJYHZDGSA-N 0 0 474.628 -0.070 20 0 JBADRN CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001546862505 1069023767 /nfs/dbraw/zinc/02/37/67/1069023767.db2.gz HYJSIAAIYXYHGB-CABCVRRESA-N 0 0 471.584 -0.900 20 0 JBADRN CCC[C@H](C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001546862506 1069024367 /nfs/dbraw/zinc/02/43/67/1069024367.db2.gz HYJSIAAIYXYHGB-GJZGRUSLSA-N 0 0 471.584 -0.900 20 0 JBADRN 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ZINC001547777365 1069065193 /nfs/dbraw/zinc/06/51/93/1069065193.db2.gz YVFAJAPOJSPNCK-UHFFFAOYSA-N 0 0 471.584 -0.687 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001547777562 1069065062 /nfs/dbraw/zinc/06/50/62/1069065062.db2.gz CYFKZZCUCFMSNK-CABCVRRESA-N 0 0 467.596 -0.053 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001547777563 1069066084 /nfs/dbraw/zinc/06/60/84/1069066084.db2.gz CYFKZZCUCFMSNK-GJZGRUSLSA-N 0 0 467.596 -0.053 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001547777564 1069066032 /nfs/dbraw/zinc/06/60/32/1069066032.db2.gz CYFKZZCUCFMSNK-HUUCEWRRSA-N 0 0 467.596 -0.053 20 0 JBADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001547777565 1069065970 /nfs/dbraw/zinc/06/59/70/1069065970.db2.gz CYFKZZCUCFMSNK-LSDHHAIUSA-N 0 0 467.596 -0.053 20 0 JBADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC2)C1 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CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001548271147 1069088631 /nfs/dbraw/zinc/08/86/31/1069088631.db2.gz AIWHDNJEEDMEIL-INIZCTEOSA-N 0 0 474.584 -0.621 20 0 JBADRN CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001548271148 1069088565 /nfs/dbraw/zinc/08/85/65/1069088565.db2.gz AIWHDNJEEDMEIL-MRXNPFEDSA-N 0 0 474.584 -0.621 20 0 JBADRN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001548271182 1069088647 /nfs/dbraw/zinc/08/86/47/1069088647.db2.gz BBRUQWQIWNPIIC-HNNXBMFYSA-N 0 0 480.613 -0.881 20 0 JBADRN CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001548271183 1069088520 /nfs/dbraw/zinc/08/85/20/1069088520.db2.gz BBRUQWQIWNPIIC-OAHLLOKOSA-N 0 0 480.613 -0.881 20 0 JBADRN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001548271423 1069088572 /nfs/dbraw/zinc/08/85/72/1069088572.db2.gz DLDBLRUJPKIVNH-CVEARBPZSA-N 0 0 456.569 -0.151 20 0 JBADRN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001548271424 1069088550 /nfs/dbraw/zinc/08/85/50/1069088550.db2.gz DLDBLRUJPKIVNH-HOTGVXAUSA-N 0 0 456.569 -0.151 20 0 JBADRN CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001548271425 1069088677 /nfs/dbraw/zinc/08/86/77/1069088677.db2.gz DLDBLRUJPKIVNH-HZPDHXFCSA-N 0 0 456.569 -0.151 20 0 JBADRN CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001548271426 1069088640 /nfs/dbraw/zinc/08/86/40/1069088640.db2.gz DLDBLRUJPKIVNH-JKSUJKDBSA-N 0 0 456.569 -0.151 20 0 JBADRN CCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001548272452 1069088653 /nfs/dbraw/zinc/08/86/53/1069088653.db2.gz PKZXQZXPCDKLFS-UHFFFAOYSA-N 0 0 457.535 -0.192 20 0 JBADRN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001548272825 1069089182 /nfs/dbraw/zinc/08/91/82/1069089182.db2.gz MECBCGSCQIRTGL-GJZGRUSLSA-N 0 0 480.613 -0.882 20 0 JBADRN CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001548272826 1069089214 /nfs/dbraw/zinc/08/92/14/1069089214.db2.gz MECBCGSCQIRTGL-LSDHHAIUSA-N 0 0 480.613 -0.882 20 0 JBADRN CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001548273690 1069089256 /nfs/dbraw/zinc/08/92/56/1069089256.db2.gz VVURCVCMLAKKNN-DLBZAZTESA-N 0 0 491.636 -0.153 20 0 JBADRN CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001548273691 1069089186 /nfs/dbraw/zinc/08/91/86/1069089186.db2.gz VVURCVCMLAKKNN-IAGOWNOFSA-N 0 0 491.636 -0.153 20 0 JBADRN CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001548273692 1069089169 /nfs/dbraw/zinc/08/91/69/1069089169.db2.gz VVURCVCMLAKKNN-IRXDYDNUSA-N 0 0 491.636 -0.153 20 0 JBADRN CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001548273693 1069089239 /nfs/dbraw/zinc/08/92/39/1069089239.db2.gz VVURCVCMLAKKNN-SJORKVTESA-N 0 0 491.636 -0.153 20 0 JBADRN CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001548273906 1069089250 /nfs/dbraw/zinc/08/92/50/1069089250.db2.gz XUNLSEZFSYDDCL-CABCVRRESA-N 0 0 454.553 -0.017 20 0 JBADRN CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001548273907 1069089190 /nfs/dbraw/zinc/08/91/90/1069089190.db2.gz XUNLSEZFSYDDCL-GJZGRUSLSA-N 0 0 454.553 -0.017 20 0 JBADRN CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001548273908 1069089223 /nfs/dbraw/zinc/08/92/23/1069089223.db2.gz XUNLSEZFSYDDCL-HUUCEWRRSA-N 0 0 454.553 -0.017 20 0 JBADRN CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001548273909 1069089179 /nfs/dbraw/zinc/08/91/79/1069089179.db2.gz XUNLSEZFSYDDCL-LSDHHAIUSA-N 0 0 454.553 -0.017 20 0 JBADRN CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001548274093 1069089219 /nfs/dbraw/zinc/08/92/19/1069089219.db2.gz ZXGKJSNWRUVLSY-DLBZAZTESA-N 0 0 458.585 -0.048 20 0 JBADRN CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001548274094 1069089194 /nfs/dbraw/zinc/08/91/94/1069089194.db2.gz ZXGKJSNWRUVLSY-IAGOWNOFSA-N 0 0 458.585 -0.048 20 0 JBADRN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001548274095 1069089253 /nfs/dbraw/zinc/08/92/53/1069089253.db2.gz ZXGKJSNWRUVLSY-IRXDYDNUSA-N 0 0 458.585 -0.048 20 0 JBADRN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001548274096 1069089227 /nfs/dbraw/zinc/08/92/27/1069089227.db2.gz ZXGKJSNWRUVLSY-SJORKVTESA-N 0 0 458.585 -0.048 20 0 JBADRN CCOCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)CC1 ZINC001548283867 1069089199 /nfs/dbraw/zinc/08/91/99/1069089199.db2.gz AJVNFBMRJKPGIU-GOSISDBHSA-N 0 0 482.611 -0.265 20 0 JBADRN CCOCCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)CC1 ZINC001548283872 1069089243 /nfs/dbraw/zinc/08/92/43/1069089243.db2.gz AJVNFBMRJKPGIU-SFHVURJKSA-N 0 0 482.611 -0.265 20 0 JBADRN CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001548283955 1069089209 /nfs/dbraw/zinc/08/92/09/1069089209.db2.gz CLECDWKAGKONRC-KRWDZBQOSA-N 0 0 477.591 -0.119 20 0 JBADRN CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001548283956 1069089173 /nfs/dbraw/zinc/08/91/73/1069089173.db2.gz CLECDWKAGKONRC-QGZVFWFLSA-N 0 0 477.591 -0.119 20 0 JBADRN CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCN(C)C2)CC1 ZINC001548284208 1069089229 /nfs/dbraw/zinc/08/92/29/1069089229.db2.gz DYJSGRFDHALSKA-FXAWDEMLSA-N 0 0 456.613 -0.595 20 0 JBADRN CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCN(C)C2)CC1 ZINC001548284209 1069089156 /nfs/dbraw/zinc/08/91/56/1069089156.db2.gz DYJSGRFDHALSKA-PXNSSMCTSA-N 0 0 456.613 -0.595 20 0 JBADRN CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCN(C)C2)CC1 ZINC001548284210 1069090157 /nfs/dbraw/zinc/09/01/57/1069090157.db2.gz DYJSGRFDHALSKA-XLIONFOSSA-N 0 0 456.613 -0.595 20 0 JBADRN CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCN(C)C2)CC1 ZINC001548284211 1069090233 /nfs/dbraw/zinc/09/02/33/1069090233.db2.gz DYJSGRFDHALSKA-YLJYHZDGSA-N 0 0 456.613 -0.595 20 0 JBADRN CCOCCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)CC1 ZINC001548284260 1069090185 /nfs/dbraw/zinc/09/01/85/1069090185.db2.gz FXCKHDXIWRUHGX-KRWDZBQOSA-N 0 0 474.628 -0.070 20 0 JBADRN CCOCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)CC1 ZINC001548284261 1069090210 /nfs/dbraw/zinc/09/02/10/1069090210.db2.gz FXCKHDXIWRUHGX-QGZVFWFLSA-N 0 0 474.628 -0.070 20 0 JBADRN CCOCCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001548284576 1069090198 /nfs/dbraw/zinc/09/01/98/1069090198.db2.gz HFKYIINJBVJACD-KRWDZBQOSA-N 0 0 454.597 -0.006 20 0 JBADRN CCOCCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001548284577 1069090249 /nfs/dbraw/zinc/09/02/49/1069090249.db2.gz HFKYIINJBVJACD-QGZVFWFLSA-N 0 0 454.597 -0.006 20 0 JBADRN CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001548285169 1069090170 /nfs/dbraw/zinc/09/01/70/1069090170.db2.gz ODOGOVWBQXQMLL-FQEVSTJZSA-N 0 0 497.666 -0.497 20 0 JBADRN CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001548285170 1069090195 /nfs/dbraw/zinc/09/01/95/1069090195.db2.gz ODOGOVWBQXQMLL-HXUWFJFHSA-N 0 0 497.666 -0.497 20 0 JBADRN CCOCCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001548285794 1069090231 /nfs/dbraw/zinc/09/02/31/1069090231.db2.gz SRZGTUMEDGNKCX-NRFANRHFSA-N 0 0 464.592 -0.028 20 0 JBADRN CCOCCN1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001548285795 1069090151 /nfs/dbraw/zinc/09/01/51/1069090151.db2.gz SRZGTUMEDGNKCX-OAQYLSRUSA-N 0 0 464.592 -0.028 20 0 JBADRN CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001548286332 1069090202 /nfs/dbraw/zinc/09/02/02/1069090202.db2.gz YYVFRBWUSJXOPQ-INIZCTEOSA-N 0 0 480.595 -0.508 20 0 JBADRN CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001548286333 1069090247 /nfs/dbraw/zinc/09/02/47/1069090247.db2.gz YYVFRBWUSJXOPQ-MRXNPFEDSA-N 0 0 480.595 -0.508 20 0 JBADRN CCS(=O)(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C)CC1 ZINC001548292213 1069090206 /nfs/dbraw/zinc/09/02/06/1069090206.db2.gz BXWMVOVMRWRFAB-GFCCVEGCSA-N 0 0 450.587 -0.620 20 0 JBADRN CCS(=O)(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C)CC1 ZINC001548292215 1069090244 /nfs/dbraw/zinc/09/02/44/1069090244.db2.gz BXWMVOVMRWRFAB-LBPRGKRZSA-N 0 0 450.587 -0.620 20 0 JBADRN CCS(=O)(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)NC)CC1 ZINC001548292875 1069090226 /nfs/dbraw/zinc/09/02/26/1069090226.db2.gz XSMQGHXYZBFYPH-UHFFFAOYSA-N 0 0 462.598 -0.533 20 0 JBADRN CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001548294780 1069090240 /nfs/dbraw/zinc/09/02/40/1069090240.db2.gz MRCLSMQYRYQCAF-HUUCEWRRSA-N 0 0 462.594 -0.001 20 0 JBADRN 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CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001554415943 1069151257 /nfs/dbraw/zinc/15/12/57/1069151257.db2.gz OIMMFWCEKHIECI-UONOGXRCSA-N 0 0 463.564 -0.037 20 0 JBADRN CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)c1 ZINC001554415944 1069151234 /nfs/dbraw/zinc/15/12/34/1069151234.db2.gz OIMMFWCEKHIECI-ZIAGYGMSSA-N 0 0 463.564 -0.037 20 0 JBADRN CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC(=O)N2CCOCC2)c1 ZINC001554416007 1069152005 /nfs/dbraw/zinc/15/20/05/1069152005.db2.gz POVDJFXJFOBMLK-HNNXBMFYSA-N 0 0 493.590 -0.409 20 0 JBADRN CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC(=O)N2CCOCC2)c1 ZINC001554416008 1069151865 /nfs/dbraw/zinc/15/18/65/1069151865.db2.gz POVDJFXJFOBMLK-OAHLLOKOSA-N 0 0 493.590 -0.409 20 0 JBADRN CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)CC2)c1 ZINC001554416309 1069151982 /nfs/dbraw/zinc/15/19/82/1069151982.db2.gz ZKVYLFYDPJVMCM-CYBMUJFWSA-N 0 0 454.578 -0.135 20 0 JBADRN CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)CC2)c1 ZINC001554416310 1069151988 /nfs/dbraw/zinc/15/19/88/1069151988.db2.gz ZKVYLFYDPJVMCM-ZDUSSCGKSA-N 0 0 454.578 -0.135 20 0 JBADRN CNC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(=O)NCCOC)CC2)c1 ZINC001554416312 1069151841 /nfs/dbraw/zinc/15/18/41/1069151841.db2.gz ZMONZQXTEIMHKE-UHFFFAOYSA-N 0 0 495.588 -0.029 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(=O)NC2CC2)C1 ZINC001554418395 1069151949 /nfs/dbraw/zinc/15/19/49/1069151949.db2.gz HKEOVCGYOAHRNP-KBPBESRZSA-N 0 0 455.585 -0.091 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(=O)NC2CC2)C1 ZINC001554418396 1069151996 /nfs/dbraw/zinc/15/19/96/1069151996.db2.gz HKEOVCGYOAHRNP-KGLIPLIRSA-N 0 0 455.585 -0.091 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(=O)NC2CC2)C1 ZINC001554418397 1069151882 /nfs/dbraw/zinc/15/18/82/1069151882.db2.gz HKEOVCGYOAHRNP-UONOGXRCSA-N 0 0 455.585 -0.091 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(=O)NC2CC2)C1 ZINC001554418398 1069151907 /nfs/dbraw/zinc/15/19/07/1069151907.db2.gz HKEOVCGYOAHRNP-ZIAGYGMSSA-N 0 0 455.585 -0.091 20 0 JBADRN CNC(=O)c1ccn([C@H]2CCCN(c3nnc(CN4CCCC4=O)n3CCS(C)(=O)=O)C2)n1 ZINC001554419238 1069151745 /nfs/dbraw/zinc/15/17/45/1069151745.db2.gz WGSQKJKYGXRHDI-HNNXBMFYSA-N 0 0 478.579 -0.157 20 0 JBADRN CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(CN4CCCC4=O)n3CCS(C)(=O)=O)C2)n1 ZINC001554419239 1069151959 /nfs/dbraw/zinc/15/19/59/1069151959.db2.gz WGSQKJKYGXRHDI-OAHLLOKOSA-N 0 0 478.579 -0.157 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCOCC2)C1 ZINC001554419758 1069151912 /nfs/dbraw/zinc/15/19/12/1069151912.db2.gz SSWLJAWJSAEFSE-CVEARBPZSA-N 0 0 471.628 -0.039 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCOCC2)C1 ZINC001554419759 1069151788 /nfs/dbraw/zinc/15/17/88/1069151788.db2.gz SSWLJAWJSAEFSE-HOTGVXAUSA-N 0 0 471.628 -0.039 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCOCC2)C1 ZINC001554419760 1069151932 /nfs/dbraw/zinc/15/19/32/1069151932.db2.gz SSWLJAWJSAEFSE-HZPDHXFCSA-N 0 0 471.628 -0.039 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCOCC2)C1 ZINC001554419761 1069151816 /nfs/dbraw/zinc/15/18/16/1069151816.db2.gz SSWLJAWJSAEFSE-JKSUJKDBSA-N 0 0 471.628 -0.039 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)F)C1 ZINC001554419796 1069151714 /nfs/dbraw/zinc/15/17/14/1069151714.db2.gz UBKXFUAISYXDCD-GHMZBOCLSA-N 0 0 451.500 -0.768 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)F)C1 ZINC001554419797 1069151967 /nfs/dbraw/zinc/15/19/67/1069151967.db2.gz UBKXFUAISYXDCD-MNOVXSKESA-N 0 0 451.500 -0.768 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)F)C1 ZINC001554419798 1069151897 /nfs/dbraw/zinc/15/18/97/1069151897.db2.gz UBKXFUAISYXDCD-QWRGUYRKSA-N 0 0 451.500 -0.768 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)F)C1 ZINC001554419799 1069151973 /nfs/dbraw/zinc/15/19/73/1069151973.db2.gz UBKXFUAISYXDCD-WDEREUQCSA-N 0 0 451.500 -0.768 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001554421004 1069151761 /nfs/dbraw/zinc/15/17/61/1069151761.db2.gz CONRXVDFSBLNQQ-CVEARBPZSA-N 0 0 473.596 -0.096 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001554421005 1069152331 /nfs/dbraw/zinc/15/23/31/1069152331.db2.gz CONRXVDFSBLNQQ-HOTGVXAUSA-N 0 0 473.596 -0.096 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001554421006 1069152393 /nfs/dbraw/zinc/15/23/93/1069152393.db2.gz CONRXVDFSBLNQQ-HZPDHXFCSA-N 0 0 473.596 -0.096 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001554421007 1069152307 /nfs/dbraw/zinc/15/23/07/1069152307.db2.gz CONRXVDFSBLNQQ-JKSUJKDBSA-N 0 0 473.596 -0.096 20 0 JBADRN 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458.585 -0.266 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)C1 ZINC001554427111 1069152403 /nfs/dbraw/zinc/15/24/03/1069152403.db2.gz FGOKIEDUOQPPIF-GJZGRUSLSA-N 0 0 458.585 -0.266 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)C1 ZINC001554427112 1069152347 /nfs/dbraw/zinc/15/23/47/1069152347.db2.gz FGOKIEDUOQPPIF-HUUCEWRRSA-N 0 0 458.585 -0.266 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)C1 ZINC001554427113 1069152227 /nfs/dbraw/zinc/15/22/27/1069152227.db2.gz FGOKIEDUOQPPIF-LSDHHAIUSA-N 0 0 458.585 -0.266 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)COCCO2)C1 ZINC001554427176 1069152318 /nfs/dbraw/zinc/15/23/18/1069152318.db2.gz GBDCOSVDYPJNMY-GQIGUUNPSA-N 0 0 486.595 -0.621 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)COCCO2)C1 ZINC001554427177 1069152241 /nfs/dbraw/zinc/15/22/41/1069152241.db2.gz GBDCOSVDYPJNMY-GUXCAODWSA-N 0 0 486.595 -0.621 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)COCCO2)C1 ZINC001554427178 1069152430 /nfs/dbraw/zinc/15/24/30/1069152430.db2.gz GBDCOSVDYPJNMY-JXXFODFXSA-N 0 0 486.595 -0.621 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)COCCO2)C1 ZINC001554427179 1069152268 /nfs/dbraw/zinc/15/22/68/1069152268.db2.gz GBDCOSVDYPJNMY-QINHECLXSA-N 0 0 486.595 -0.621 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 ZINC001554427552 1069152385 /nfs/dbraw/zinc/15/23/85/1069152385.db2.gz MUZBHMOAWOHPDP-NEPJUHHUSA-N 0 0 466.486 -0.179 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 ZINC001554427553 1069152200 /nfs/dbraw/zinc/15/22/00/1069152200.db2.gz MUZBHMOAWOHPDP-NWDGAFQWSA-N 0 0 466.486 -0.179 20 0 JBADRN CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 ZINC001554427554 1069152223 /nfs/dbraw/zinc/15/22/23/1069152223.db2.gz MUZBHMOAWOHPDP-RYUDHWBXSA-N 0 0 466.486 -0.179 20 0 JBADRN CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 ZINC001554427555 1069152362 /nfs/dbraw/zinc/15/23/62/1069152362.db2.gz MUZBHMOAWOHPDP-VXGBXAGGSA-N 0 0 466.486 -0.179 20 0 JBADRN CNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001554432236 1069152253 /nfs/dbraw/zinc/15/22/53/1069152253.db2.gz FWTVJOSGWSDLKQ-INIZCTEOSA-N 0 0 461.567 -0.029 20 0 JBADRN CNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001554432237 1069153252 /nfs/dbraw/zinc/15/32/52/1069153252.db2.gz FWTVJOSGWSDLKQ-MRXNPFEDSA-N 0 0 461.567 -0.029 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCOCC2)CC1 ZINC001554434627 1069153032 /nfs/dbraw/zinc/15/30/32/1069153032.db2.gz MGNQUZXYSAIGTN-HNNXBMFYSA-N 0 0 457.601 -0.427 20 0 JBADRN CNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCOCC2)CC1 ZINC001554434631 1069153307 /nfs/dbraw/zinc/15/33/07/1069153307.db2.gz MGNQUZXYSAIGTN-OAHLLOKOSA-N 0 0 457.601 -0.427 20 0 JBADRN 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CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CCO1 ZINC001554440713 1069155450 /nfs/dbraw/zinc/15/54/50/1069155450.db2.gz IUCFGCVJJHXZAU-DZGCQCFKSA-N 0 0 466.568 -0.651 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CCO1 ZINC001554440714 1069155493 /nfs/dbraw/zinc/15/54/93/1069155493.db2.gz IUCFGCVJJHXZAU-HIFRSBDPSA-N 0 0 466.568 -0.651 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CCO1 ZINC001554440715 1069155348 /nfs/dbraw/zinc/15/53/48/1069155348.db2.gz IUCFGCVJJHXZAU-UKRRQHHQSA-N 0 0 466.568 -0.651 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CCO1 ZINC001554440716 1069155409 /nfs/dbraw/zinc/15/54/09/1069155409.db2.gz IUCFGCVJJHXZAU-ZFWWWQNUSA-N 0 0 466.568 -0.651 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2COCCO2)CCO1 ZINC001554441251 1069155432 /nfs/dbraw/zinc/15/54/32/1069155432.db2.gz DPRZDSLVSOWUBW-NVXWUHKLSA-N 0 0 465.532 -0.285 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2COCCO2)CCO1 ZINC001554441252 1069155384 /nfs/dbraw/zinc/15/53/84/1069155384.db2.gz DPRZDSLVSOWUBW-WBVHZDCISA-N 0 0 465.532 -0.285 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C(C)=O)CC2)CCO1 ZINC001554441458 1069155473 /nfs/dbraw/zinc/15/54/73/1069155473.db2.gz MWKUSXCWHINQCQ-KRWDZBQOSA-N 0 0 485.549 -0.959 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C(C)=O)CC2)CCO1 ZINC001554441460 1069155484 /nfs/dbraw/zinc/15/54/84/1069155484.db2.gz MWKUSXCWHINQCQ-QGZVFWFLSA-N 0 0 485.549 -0.959 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccn(C)n2)CCO1 ZINC001554441567 1069155960 /nfs/dbraw/zinc/15/59/60/1069155960.db2.gz HINNBXJEZIBLLM-GOSISDBHSA-N 0 0 488.574 -0.072 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccn(C)n2)CCO1 ZINC001554441568 1069155927 /nfs/dbraw/zinc/15/59/27/1069155927.db2.gz HINNBXJEZIBLLM-SFHVURJKSA-N 0 0 488.574 -0.072 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001554441667 1069156016 /nfs/dbraw/zinc/15/60/16/1069156016.db2.gz FLJHLZJTJWEUKI-JYJNAYRXSA-N 0 0 459.569 -0.222 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001554441668 1069155868 /nfs/dbraw/zinc/15/58/68/1069155868.db2.gz FLJHLZJTJWEUKI-OAGGEKHMSA-N 0 0 459.569 -0.222 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001554441669 1069155974 /nfs/dbraw/zinc/15/59/74/1069155974.db2.gz FLJHLZJTJWEUKI-PMPSAXMXSA-N 0 0 459.569 -0.222 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001554441670 1069156006 /nfs/dbraw/zinc/15/60/06/1069156006.db2.gz FLJHLZJTJWEUKI-XHSDSOJGSA-N 0 0 459.569 -0.222 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccsc2)CCO1 ZINC001554442674 1069156027 /nfs/dbraw/zinc/15/60/27/1069156027.db2.gz ULRLSDHNJGAGFT-IAISJRAMSA-N 0 0 472.593 -0.191 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccsc2)CCO1 ZINC001554442676 1069155824 /nfs/dbraw/zinc/15/58/24/1069155824.db2.gz ULRLSDHNJGAGFT-UVBSCNOISA-N 0 0 472.593 -0.191 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccsc2)CCO1 ZINC001554442678 1069155947 /nfs/dbraw/zinc/15/59/47/1069155947.db2.gz ULRLSDHNJGAGFT-XAYKYTGQSA-N 0 0 472.593 -0.191 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccsc2)CCO1 ZINC001554442680 1069155998 /nfs/dbraw/zinc/15/59/98/1069155998.db2.gz ULRLSDHNJGAGFT-YEWDVWPNSA-N 0 0 472.593 -0.191 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(C)(=O)=O)CCO1 ZINC001554442809 1069155767 /nfs/dbraw/zinc/15/57/67/1069155767.db2.gz CHFKQCXGUQQXMN-HNNXBMFYSA-N 0 0 452.493 -0.826 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(C)(=O)=O)CCO1 ZINC001554442810 1069155878 /nfs/dbraw/zinc/15/58/78/1069155878.db2.gz CHFKQCXGUQQXMN-OAHLLOKOSA-N 0 0 452.493 -0.826 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 ZINC001554442881 1069156041 /nfs/dbraw/zinc/15/60/41/1069156041.db2.gz SWNFKWMHZTWZRL-AWEZNQCLSA-N 0 0 484.966 -0.116 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 ZINC001554442882 1069155984 /nfs/dbraw/zinc/15/59/84/1069155984.db2.gz SWNFKWMHZTWZRL-CQSZACIVSA-N 0 0 484.966 -0.116 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)N(C)C)CCO1 ZINC001554443063 1069155849 /nfs/dbraw/zinc/15/58/49/1069155849.db2.gz XQKRMSQYLFSUPV-KRWDZBQOSA-N 0 0 493.590 -0.010 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)N(C)C)CCO1 ZINC001554443064 1069155893 /nfs/dbraw/zinc/15/58/93/1069155893.db2.gz XQKRMSQYLFSUPV-QGZVFWFLSA-N 0 0 493.590 -0.010 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)NC(C)C)CCO1 ZINC001554443563 1069156682 /nfs/dbraw/zinc/15/66/82/1069156682.db2.gz HIOGPALFBUSETH-KRWDZBQOSA-N 0 0 480.547 -0.047 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)NC(C)C)CCO1 ZINC001554443564 1069156663 /nfs/dbraw/zinc/15/66/63/1069156663.db2.gz HIOGPALFBUSETH-QGZVFWFLSA-N 0 0 480.547 -0.047 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 ZINC001554443831 1069156723 /nfs/dbraw/zinc/15/67/23/1069156723.db2.gz JNLZUDNALCLVGC-BEFAXECRSA-N 0 0 453.496 -0.415 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 ZINC001554443832 1069156764 /nfs/dbraw/zinc/15/67/64/1069156764.db2.gz JNLZUDNALCLVGC-DNVCBOLYSA-N 0 0 453.496 -0.415 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 ZINC001554443833 1069156649 /nfs/dbraw/zinc/15/66/49/1069156649.db2.gz JNLZUDNALCLVGC-HNAYVOBHSA-N 0 0 453.496 -0.415 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 ZINC001554443834 1069156692 /nfs/dbraw/zinc/15/66/92/1069156692.db2.gz JNLZUDNALCLVGC-KXBFYZLASA-N 0 0 453.496 -0.415 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 ZINC001554443851 1069156759 /nfs/dbraw/zinc/15/67/59/1069156759.db2.gz JUCLYQWBMKEJRX-HOTGVXAUSA-N 0 0 457.491 -0.107 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 ZINC001554443852 1069156710 /nfs/dbraw/zinc/15/67/10/1069156710.db2.gz JUCLYQWBMKEJRX-JKSUJKDBSA-N 0 0 457.491 -0.107 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)NC)CCO1 ZINC001554444351 1069156745 /nfs/dbraw/zinc/15/67/45/1069156745.db2.gz MLNJIUDYWMGQBV-GFCCVEGCSA-N 0 0 476.357 -0.464 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)NC)CCO1 ZINC001554444352 1069156774 /nfs/dbraw/zinc/15/67/74/1069156774.db2.gz MLNJIUDYWMGQBV-LBPRGKRZSA-N 0 0 476.357 -0.464 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)CCO1 ZINC001554444751 1069156637 /nfs/dbraw/zinc/15/66/37/1069156637.db2.gz PYFBJMJGJFOONQ-CABCVRRESA-N 0 0 459.569 -0.079 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)CCO1 ZINC001554444752 1069156552 /nfs/dbraw/zinc/15/65/52/1069156552.db2.gz PYFBJMJGJFOONQ-GJZGRUSLSA-N 0 0 459.569 -0.079 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)CCO1 ZINC001554444753 1069156753 /nfs/dbraw/zinc/15/67/53/1069156753.db2.gz PYFBJMJGJFOONQ-HUUCEWRRSA-N 0 0 459.569 -0.079 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)CCO1 ZINC001554444754 1069156702 /nfs/dbraw/zinc/15/67/02/1069156702.db2.gz PYFBJMJGJFOONQ-LSDHHAIUSA-N 0 0 459.569 -0.079 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N(C)C)CCO1 ZINC001554444912 1069156597 /nfs/dbraw/zinc/15/65/97/1069156597.db2.gz RNAHEAAPJUNSBO-BEFAXECRSA-N 0 0 474.584 -0.839 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N(C)C)CCO1 ZINC001554444914 1069156736 /nfs/dbraw/zinc/15/67/36/1069156736.db2.gz RNAHEAAPJUNSBO-DNVCBOLYSA-N 0 0 474.584 -0.839 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N(C)C)CCO1 ZINC001554444915 1069156576 /nfs/dbraw/zinc/15/65/76/1069156576.db2.gz RNAHEAAPJUNSBO-HNAYVOBHSA-N 0 0 474.584 -0.839 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N(C)C)CCO1 ZINC001554444916 1069156674 /nfs/dbraw/zinc/15/66/74/1069156674.db2.gz RNAHEAAPJUNSBO-KXBFYZLASA-N 0 0 474.584 -0.839 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)N(C)C)CCO1 ZINC001554445008 1069156626 /nfs/dbraw/zinc/15/66/26/1069156626.db2.gz VIEXWFKFLSZTJS-CYBMUJFWSA-N 0 0 457.944 -0.164 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)N(C)C)CCO1 ZINC001554445011 1069156609 /nfs/dbraw/zinc/15/66/09/1069156609.db2.gz VIEXWFKFLSZTJS-ZDUSSCGKSA-N 0 0 457.944 -0.164 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCS(C)(=O)=O)CCO1 ZINC001554445413 1069157369 /nfs/dbraw/zinc/15/73/69/1069157369.db2.gz WPGAUGXOTRXQCJ-BEFAXECRSA-N 0 0 459.569 -0.295 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCS(C)(=O)=O)CCO1 ZINC001554445414 1069157450 /nfs/dbraw/zinc/15/74/50/1069157450.db2.gz WPGAUGXOTRXQCJ-DNVCBOLYSA-N 0 0 459.569 -0.295 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCS(C)(=O)=O)CCO1 ZINC001554445415 1069157517 /nfs/dbraw/zinc/15/75/17/1069157517.db2.gz WPGAUGXOTRXQCJ-HNAYVOBHSA-N 0 0 459.569 -0.295 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCS(C)(=O)=O)CCO1 ZINC001554445416 1069157457 /nfs/dbraw/zinc/15/74/57/1069157457.db2.gz WPGAUGXOTRXQCJ-KXBFYZLASA-N 0 0 459.569 -0.295 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCOCC2)CCO1 ZINC001554445463 1069157439 /nfs/dbraw/zinc/15/74/39/1069157439.db2.gz XGGFXVHIRMWRSA-FGSXEWAUSA-N 0 0 466.583 -0.009 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)(C)C)CCO1 ZINC001554446649 1069157470 /nfs/dbraw/zinc/15/74/70/1069157470.db2.gz BUVKMQPXGSDDNC-HRCADAONSA-N 0 0 488.611 -0.377 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)(C)C)CCO1 ZINC001554446650 1069157483 /nfs/dbraw/zinc/15/74/83/1069157483.db2.gz BUVKMQPXGSDDNC-JYJNAYRXSA-N 0 0 488.611 -0.377 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)(C)C)CCO1 ZINC001554446651 1069157354 /nfs/dbraw/zinc/15/73/54/1069157354.db2.gz BUVKMQPXGSDDNC-OWCLPIDISA-N 0 0 488.611 -0.377 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)(C)C)CCO1 ZINC001554446652 1069157417 /nfs/dbraw/zinc/15/74/17/1069157417.db2.gz BUVKMQPXGSDDNC-PMPSAXMXSA-N 0 0 488.611 -0.377 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)=O)C2)CCO1 ZINC001554446697 1069157427 /nfs/dbraw/zinc/15/74/27/1069157427.db2.gz DAECRVPNBYEYRN-BBWFWOEESA-N 0 0 468.580 -0.610 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CCO1 ZINC001554446698 1069157507 /nfs/dbraw/zinc/15/75/07/1069157507.db2.gz DAECRVPNBYEYRN-IKGGRYGDSA-N 0 0 468.580 -0.610 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)=O)C2)CCO1 ZINC001554446699 1069157308 /nfs/dbraw/zinc/15/73/08/1069157308.db2.gz DAECRVPNBYEYRN-ULQDDVLXSA-N 0 0 468.580 -0.610 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CCO1 ZINC001554446700 1069157364 /nfs/dbraw/zinc/15/73/64/1069157364.db2.gz DAECRVPNBYEYRN-ZACQAIPSSA-N 0 0 468.580 -0.610 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)NC)CCO1 ZINC001554446763 1069157342 /nfs/dbraw/zinc/15/73/42/1069157342.db2.gz PJPAEASLGFOLQU-KRWDZBQOSA-N 0 0 461.548 -0.063 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)NC)CCO1 ZINC001554446764 1069157349 /nfs/dbraw/zinc/15/73/49/1069157349.db2.gz PJPAEASLGFOLQU-QGZVFWFLSA-N 0 0 461.548 -0.063 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)CCO1 ZINC001554446977 1069157526 /nfs/dbraw/zinc/15/75/26/1069157526.db2.gz FJNDMDSWLGBPSA-JFTGJMIGSA-N 0 0 461.610 -0.321 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)CCO1 ZINC001554446978 1069157328 /nfs/dbraw/zinc/15/73/28/1069157328.db2.gz FJNDMDSWLGBPSA-MZICGWGFSA-N 0 0 461.610 -0.321 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)CCO1 ZINC001554446979 1069158274 /nfs/dbraw/zinc/15/82/74/1069158274.db2.gz FJNDMDSWLGBPSA-SHSSRLJWSA-N 0 0 461.610 -0.321 20 0 JBADRN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)CCO1 ZINC001554446980 1069158180 /nfs/dbraw/zinc/15/81/80/1069158180.db2.gz FJNDMDSWLGBPSA-WXWKEVLISA-N 0 0 461.610 -0.321 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC(C)C)CCO1 ZINC001554447029 1069158054 /nfs/dbraw/zinc/15/80/54/1069158054.db2.gz GDKPTPFJQVSABM-DLBZAZTESA-N 0 0 488.611 -0.233 20 0 JBADRN CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC(C)C)CCO1 ZINC001554447030 1069158035 /nfs/dbraw/zinc/15/80/35/1069158035.db2.gz GDKPTPFJQVSABM-IAGOWNOFSA-N 0 0 488.611 -0.233 20 0 JBADRN 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BARQLSLFDAYYFA-HNNXBMFYSA-N 0 0 466.568 -0.295 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001554506227 1069172582 /nfs/dbraw/zinc/17/25/82/1069172582.db2.gz BARQLSLFDAYYFA-OAHLLOKOSA-N 0 0 466.568 -0.295 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001554506483 1069172622 /nfs/dbraw/zinc/17/26/22/1069172622.db2.gz GCUNWAJQIHDOBT-KRWDZBQOSA-N 0 0 493.565 -0.191 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001554506684 1069172571 /nfs/dbraw/zinc/17/25/71/1069172571.db2.gz GCUNWAJQIHDOBT-QGZVFWFLSA-N 0 0 493.565 -0.191 20 0 JBADRN CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001554506873 1069172539 /nfs/dbraw/zinc/17/25/39/1069172539.db2.gz GPQRYKSOPLXLSR-UHFFFAOYSA-N 0 0 469.612 -0.313 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C ZINC001554507147 1069172607 /nfs/dbraw/zinc/17/26/07/1069172607.db2.gz JFIPNSQURJZZSN-AWEZNQCLSA-N 0 0 452.603 -0.358 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C ZINC001554507149 1069172619 /nfs/dbraw/zinc/17/26/19/1069172619.db2.gz JFIPNSQURJZZSN-CQSZACIVSA-N 0 0 452.603 -0.358 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001554507209 1069172462 /nfs/dbraw/zinc/17/24/62/1069172462.db2.gz WZTHWBSOQGDTMV-UHFFFAOYSA-N 0 0 477.591 -0.097 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O ZINC001554507346 1069172554 /nfs/dbraw/zinc/17/25/54/1069172554.db2.gz KLSGYQHDJKCXBK-HNNXBMFYSA-N 0 0 459.550 -0.179 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O ZINC001554507349 1069172618 /nfs/dbraw/zinc/17/26/18/1069172618.db2.gz KLSGYQHDJKCXBK-OAHLLOKOSA-N 0 0 459.550 -0.179 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001554507476 1069172437 /nfs/dbraw/zinc/17/24/37/1069172437.db2.gz LIBDVTSLWHNMAD-INIZCTEOSA-N 0 0 479.538 -0.120 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001554507477 1069172561 /nfs/dbraw/zinc/17/25/61/1069172561.db2.gz LIBDVTSLWHNMAD-MRXNPFEDSA-N 0 0 479.538 -0.120 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001554507523 1069172475 /nfs/dbraw/zinc/17/24/75/1069172475.db2.gz MCSMXUWOYVWLKS-ILXRZTDVSA-N 0 0 462.598 -0.461 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001554507524 1069172496 /nfs/dbraw/zinc/17/24/96/1069172496.db2.gz MCSMXUWOYVWLKS-KFWWJZLASA-N 0 0 462.598 -0.461 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001554507525 1069173185 /nfs/dbraw/zinc/17/31/85/1069173185.db2.gz MCSMXUWOYVWLKS-KKUMJFAQSA-N 0 0 462.598 -0.461 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001554507526 1069173136 /nfs/dbraw/zinc/17/31/36/1069173136.db2.gz MCSMXUWOYVWLKS-ZNMIVQPWSA-N 0 0 462.598 -0.461 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001554507563 1069173145 /nfs/dbraw/zinc/17/31/45/1069173145.db2.gz NIWIYRCHKLLGRZ-ARFHVFGLSA-N 0 0 458.585 -0.301 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC001554507564 1069173096 /nfs/dbraw/zinc/17/30/96/1069173096.db2.gz NIWIYRCHKLLGRZ-BZUAXINKSA-N 0 0 458.585 -0.301 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001554507565 1069173209 /nfs/dbraw/zinc/17/32/09/1069173209.db2.gz NIWIYRCHKLLGRZ-HRCADAONSA-N 0 0 458.585 -0.301 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001554507566 1069173262 /nfs/dbraw/zinc/17/32/62/1069173262.db2.gz NIWIYRCHKLLGRZ-OWCLPIDISA-N 0 0 458.585 -0.301 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 ZINC001554507751 1069173179 /nfs/dbraw/zinc/17/31/79/1069173179.db2.gz PDVSLPILCKLQRQ-KRWDZBQOSA-N 0 0 480.547 -0.365 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 ZINC001554507752 1069173108 /nfs/dbraw/zinc/17/31/08/1069173108.db2.gz PDVSLPILCKLQRQ-QGZVFWFLSA-N 0 0 480.547 -0.365 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001554507961 1069173165 /nfs/dbraw/zinc/17/31/65/1069173165.db2.gz RRJLIQNBDRKBCD-HNNXBMFYSA-N 0 0 476.625 -0.970 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001554507962 1069173070 /nfs/dbraw/zinc/17/30/70/1069173070.db2.gz RRJLIQNBDRKBCD-OAHLLOKOSA-N 0 0 476.625 -0.970 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 ZINC001554508015 1069173257 /nfs/dbraw/zinc/17/32/57/1069173257.db2.gz TUXZLHJKSICPGD-HNNXBMFYSA-N 0 0 476.581 -0.302 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 ZINC001554508016 1069173215 /nfs/dbraw/zinc/17/32/15/1069173215.db2.gz TUXZLHJKSICPGD-OAHLLOKOSA-N 0 0 476.581 -0.302 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001554508037 1069173224 /nfs/dbraw/zinc/17/32/24/1069173224.db2.gz QTMSFBQBEWUVOS-HNNXBMFYSA-N 0 0 457.601 -0.427 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001554508038 1069173191 /nfs/dbraw/zinc/17/31/91/1069173191.db2.gz QTMSFBQBEWUVOS-OAHLLOKOSA-N 0 0 457.601 -0.427 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001554508076 1069173241 /nfs/dbraw/zinc/17/32/41/1069173241.db2.gz RKVZIJITVHFXLW-HNNXBMFYSA-N 0 0 465.511 -0.229 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001554508077 1069173202 /nfs/dbraw/zinc/17/32/02/1069173202.db2.gz RKVZIJITVHFXLW-OAHLLOKOSA-N 0 0 465.511 -0.229 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001554508127 1069173250 /nfs/dbraw/zinc/17/32/50/1069173250.db2.gz UBWYMRXRGIEYHY-JYJNAYRXSA-N 0 0 476.625 -0.071 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001554508128 1069173122 /nfs/dbraw/zinc/17/31/22/1069173122.db2.gz UBWYMRXRGIEYHY-OAGGEKHMSA-N 0 0 476.625 -0.071 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001554508129 1069174001 /nfs/dbraw/zinc/17/40/01/1069174001.db2.gz UBWYMRXRGIEYHY-PMPSAXMXSA-N 0 0 476.625 -0.071 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001554508130 1069173992 /nfs/dbraw/zinc/17/39/92/1069173992.db2.gz UBWYMRXRGIEYHY-XHSDSOJGSA-N 0 0 476.625 -0.071 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001554508178 1069174010 /nfs/dbraw/zinc/17/40/10/1069174010.db2.gz VCZHJXREHNCQAJ-DZGCQCFKSA-N 0 0 471.609 -0.023 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001554508179 1069173873 /nfs/dbraw/zinc/17/38/73/1069173873.db2.gz VCZHJXREHNCQAJ-HIFRSBDPSA-N 0 0 471.609 -0.023 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001554508180 1069173846 /nfs/dbraw/zinc/17/38/46/1069173846.db2.gz VCZHJXREHNCQAJ-UKRRQHHQSA-N 0 0 471.609 -0.023 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001554508181 1069173912 /nfs/dbraw/zinc/17/39/12/1069173912.db2.gz VCZHJXREHNCQAJ-ZFWWWQNUSA-N 0 0 471.609 -0.023 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001554508351 1069173881 /nfs/dbraw/zinc/17/38/81/1069173881.db2.gz WOWKWEVTBZFQIS-CRAIPNDOSA-N 0 0 492.624 -0.833 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001554508352 1069173857 /nfs/dbraw/zinc/17/38/57/1069173857.db2.gz WOWKWEVTBZFQIS-MAUKXSAKSA-N 0 0 492.624 -0.833 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001554508353 1069173918 /nfs/dbraw/zinc/17/39/18/1069173918.db2.gz WOWKWEVTBZFQIS-QAPCUYQASA-N 0 0 492.624 -0.833 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001554508354 1069173948 /nfs/dbraw/zinc/17/39/48/1069173948.db2.gz WOWKWEVTBZFQIS-YJBOKZPZSA-N 0 0 492.624 -0.833 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001554508371 1069173983 /nfs/dbraw/zinc/17/39/83/1069173983.db2.gz XACCTLNMALYDMY-AWEZNQCLSA-N 0 0 478.622 -0.142 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001554508372 1069173894 /nfs/dbraw/zinc/17/38/94/1069173894.db2.gz XACCTLNMALYDMY-CQSZACIVSA-N 0 0 478.622 -0.142 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 ZINC001554508394 1069173890 /nfs/dbraw/zinc/17/38/90/1069173890.db2.gz XPHABHTVROHNCS-HNNXBMFYSA-N 0 0 457.534 -0.425 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 ZINC001554508395 1069173973 /nfs/dbraw/zinc/17/39/73/1069173973.db2.gz XPHABHTVROHNCS-OAHLLOKOSA-N 0 0 457.534 -0.425 20 0 JBADRN 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COc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001554868378 1069184533 /nfs/dbraw/zinc/18/45/33/1069184533.db2.gz RBAYNGAFKWBZEA-LJQANCHMSA-N 0 0 485.588 -0.415 20 0 JBADRN COc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCCNS(C)(=O)=O)cc1 ZINC001554868548 1069184601 /nfs/dbraw/zinc/18/46/01/1069184601.db2.gz XBHZCQJOJVDHKH-UHFFFAOYSA-N 0 0 472.593 -0.025 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001554868616 1069184677 /nfs/dbraw/zinc/18/46/77/1069184677.db2.gz YXGWRXKDMBQIJI-CYBMUJFWSA-N 0 0 481.435 -0.221 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001554868617 1069184594 /nfs/dbraw/zinc/18/45/94/1069184594.db2.gz YXGWRXKDMBQIJI-ZDUSSCGKSA-N 0 0 481.435 -0.221 20 0 JBADRN COc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCNS(C)(=O)=O)c(OC)c1 ZINC001554870328 1069185326 /nfs/dbraw/zinc/18/53/26/1069185326.db2.gz BRBOFZTZJYPRKC-UHFFFAOYSA-N 0 0 459.550 -0.254 20 0 JBADRN COc1ccc(CCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCNC(C)=O)cc1 ZINC001554897249 1069185391 /nfs/dbraw/zinc/18/53/91/1069185391.db2.gz KMFTUASLNRRJNM-GOSISDBHSA-N 0 0 469.546 -0.255 20 0 JBADRN COc1ccc(CCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCNC(C)=O)cc1 ZINC001554897250 1069185412 /nfs/dbraw/zinc/18/54/12/1069185412.db2.gz KMFTUASLNRRJNM-SFHVURJKSA-N 0 0 469.546 -0.255 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(=O)NC(C)C)CC2)cn1 ZINC001554931017 1069185361 /nfs/dbraw/zinc/18/53/61/1069185361.db2.gz WNDCXHYSSZCYTJ-INIZCTEOSA-N 0 0 494.622 -0.013 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(=O)NC(C)C)CC2)cn1 ZINC001554931018 1069185335 /nfs/dbraw/zinc/18/53/35/1069185335.db2.gz WNDCXHYSSZCYTJ-MRXNPFEDSA-N 0 0 494.622 -0.013 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)cn1 ZINC001554931154 1069185262 /nfs/dbraw/zinc/18/52/62/1069185262.db2.gz XRRRTMIALYXDEB-DZGCQCFKSA-N 0 0 464.552 -0.104 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)cn1 ZINC001554931155 1069185377 /nfs/dbraw/zinc/18/53/77/1069185377.db2.gz XRRRTMIALYXDEB-HIFRSBDPSA-N 0 0 464.552 -0.104 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)cn1 ZINC001554931156 1069185431 /nfs/dbraw/zinc/18/54/31/1069185431.db2.gz XRRRTMIALYXDEB-UKRRQHHQSA-N 0 0 464.552 -0.104 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)cn1 ZINC001554931157 1069185296 /nfs/dbraw/zinc/18/52/96/1069185296.db2.gz XRRRTMIALYXDEB-ZFWWWQNUSA-N 0 0 464.552 -0.104 20 0 JBADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)cn1 ZINC001554940177 1069185426 /nfs/dbraw/zinc/18/54/26/1069185426.db2.gz HZJQGGUFHCIOID-INIZCTEOSA-N 0 0 464.548 -0.073 20 0 JBADRN COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)cn1 ZINC001554940178 1069185287 /nfs/dbraw/zinc/18/52/87/1069185287.db2.gz HZJQGGUFHCIOID-MRXNPFEDSA-N 0 0 464.548 -0.073 20 0 JBADRN COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)cc1OC ZINC001554941040 1069185275 /nfs/dbraw/zinc/18/52/75/1069185275.db2.gz QGDKARFJHDRTFW-KRWDZBQOSA-N 0 0 480.547 -0.387 20 0 JBADRN COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)cc1OC ZINC001554941041 1069185352 /nfs/dbraw/zinc/18/53/52/1069185352.db2.gz QGDKARFJHDRTFW-QGZVFWFLSA-N 0 0 480.547 -0.387 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCS(C)(=O)=O)cc1 ZINC001554979963 1069185346 /nfs/dbraw/zinc/18/53/46/1069185346.db2.gz RPKDQHFJKLWETR-AWEZNQCLSA-N 0 0 478.531 -0.943 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCS(C)(=O)=O)cc1 ZINC001554979967 1069185385 /nfs/dbraw/zinc/18/53/85/1069185385.db2.gz RPKDQHFJKLWETR-CQSZACIVSA-N 0 0 478.531 -0.943 20 0 JBADRN COc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001554980811 1069185437 /nfs/dbraw/zinc/18/54/37/1069185437.db2.gz KRDWEKVVILLDMI-IBGZPJMESA-N 0 0 470.573 -0.016 20 0 JBADRN COc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001554980812 1069185367 /nfs/dbraw/zinc/18/53/67/1069185367.db2.gz KRDWEKVVILLDMI-LJQANCHMSA-N 0 0 470.573 -0.016 20 0 JBADRN COc1cccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCNS(C)(=O)=O)c1 ZINC001555010158 1069185305 /nfs/dbraw/zinc/18/53/05/1069185305.db2.gz RGWVLZHTHIPJNU-UHFFFAOYSA-N 0 0 465.580 -0.287 20 0 JBADRN COc1cccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001555011380 1069185316 /nfs/dbraw/zinc/18/53/16/1069185316.db2.gz FYKJNQVILJUAOE-MGPUTAFESA-N 0 0 499.615 -0.027 20 0 JBADRN COc1cccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001555011381 1069185403 /nfs/dbraw/zinc/18/54/03/1069185403.db2.gz FYKJNQVILJUAOE-YWZLYKJASA-N 0 0 499.615 -0.027 20 0 JBADRN COc1cccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001555012094 1069186071 /nfs/dbraw/zinc/18/60/71/1069186071.db2.gz OKIOLCWBBDRUTJ-IBGZPJMESA-N 0 0 485.588 -0.415 20 0 JBADRN COc1cccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001555012096 1069185873 /nfs/dbraw/zinc/18/58/73/1069185873.db2.gz OKIOLCWBBDRUTJ-LJQANCHMSA-N 0 0 485.588 -0.415 20 0 JBADRN COc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001555019095 1069185971 /nfs/dbraw/zinc/18/59/71/1069185971.db2.gz XLXSMDFAGZZTOP-INIZCTEOSA-N 0 0 455.519 -0.185 20 0 JBADRN COc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001555019096 1069186048 /nfs/dbraw/zinc/18/60/48/1069186048.db2.gz XLXSMDFAGZZTOP-MRXNPFEDSA-N 0 0 455.519 -0.185 20 0 JBADRN COc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)c1OC ZINC001555026868 1069186010 /nfs/dbraw/zinc/18/60/10/1069186010.db2.gz WXHLWEDEVRINAV-KRWDZBQOSA-N 0 0 494.574 -0.045 20 0 JBADRN COc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)c1OC ZINC001555026869 1069185857 /nfs/dbraw/zinc/18/58/57/1069185857.db2.gz WXHLWEDEVRINAV-QGZVFWFLSA-N 0 0 494.574 -0.045 20 0 JBADRN COc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001555050859 1069185994 /nfs/dbraw/zinc/18/59/94/1069185994.db2.gz APVMHADEZZHTNL-FQEVSTJZSA-N 0 0 499.615 -0.025 20 0 JBADRN COc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001555050861 1069186015 /nfs/dbraw/zinc/18/60/15/1069186015.db2.gz APVMHADEZZHTNL-HXUWFJFHSA-N 0 0 499.615 -0.025 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCS(C)(=O)=O ZINC001555052916 1069186038 /nfs/dbraw/zinc/18/60/38/1069186038.db2.gz MEXQBTBVHLOZEN-UHFFFAOYSA-N 0 0 476.559 -0.075 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCNS(C)(=O)=O ZINC001555055386 1069186025 /nfs/dbraw/zinc/18/60/25/1069186025.db2.gz PWZVBHVPLVPVLC-UHFFFAOYSA-N 0 0 458.566 -0.416 20 0 JBADRN COc1ccccc1Cc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCNS(C)(=O)=O ZINC001555078017 1069185923 /nfs/dbraw/zinc/18/59/23/1069185923.db2.gz FFXUJBXOMWURNL-KRWDZBQOSA-N 0 0 466.564 -0.232 20 0 JBADRN COc1ccccc1Cc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCNS(C)(=O)=O ZINC001555078019 1069185942 /nfs/dbraw/zinc/18/59/42/1069185942.db2.gz FFXUJBXOMWURNL-QGZVFWFLSA-N 0 0 466.564 -0.232 20 0 JBADRN COc1ccccc1Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001555078272 1069186062 /nfs/dbraw/zinc/18/60/62/1069186062.db2.gz LNVBYFPRHNBYIS-AWEZNQCLSA-N 0 0 495.462 -0.297 20 0 JBADRN COc1ccccc1Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001555078273 1069185951 /nfs/dbraw/zinc/18/59/51/1069185951.db2.gz LNVBYFPRHNBYIS-CQSZACIVSA-N 0 0 495.462 -0.297 20 0 JBADRN COc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001555090550 1069186056 /nfs/dbraw/zinc/18/60/56/1069186056.db2.gz PBQMAQDBRFVMHJ-DOTOQJQBSA-N 0 0 464.548 -0.021 20 0 JBADRN COc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001555090551 1069185961 /nfs/dbraw/zinc/18/59/61/1069185961.db2.gz PBQMAQDBRFVMHJ-NVXWUHKLSA-N 0 0 464.548 -0.021 20 0 JBADRN COc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001555090552 1069185888 /nfs/dbraw/zinc/18/58/88/1069185888.db2.gz PBQMAQDBRFVMHJ-RDJZCZTQSA-N 0 0 464.548 -0.021 20 0 JBADRN COc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001555090553 1069185989 /nfs/dbraw/zinc/18/59/89/1069185989.db2.gz PBQMAQDBRFVMHJ-WBVHZDCISA-N 0 0 464.548 -0.021 20 0 JBADRN COc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001555091274 1069185983 /nfs/dbraw/zinc/18/59/83/1069185983.db2.gz XGBOPMRLUVNWKO-KRWDZBQOSA-N 0 0 464.548 -0.006 20 0 JBADRN COc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001555091275 1069185906 /nfs/dbraw/zinc/18/59/06/1069185906.db2.gz XGBOPMRLUVNWKO-QGZVFWFLSA-N 0 0 464.548 -0.006 20 0 JBADRN COc1ccccc1OCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC(=O)NC(C)C ZINC001555106730 1069186807 /nfs/dbraw/zinc/18/68/07/1069186807.db2.gz YYWMZXHAPLSZLX-INIZCTEOSA-N 0 0 485.545 -0.073 20 0 JBADRN COc1ccccc1OCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC(=O)NC(C)C ZINC001555106732 1069186717 /nfs/dbraw/zinc/18/67/17/1069186717.db2.gz YYWMZXHAPLSZLX-MRXNPFEDSA-N 0 0 485.545 -0.073 20 0 JBADRN COc1ccccc1OCc1nnc(N2CCNC(=O)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001555108009 1069186686 /nfs/dbraw/zinc/18/66/86/1069186686.db2.gz PTIPGFHIGMYFSK-IBGZPJMESA-N 0 0 451.505 -0.649 20 0 JBADRN COc1ccccc1OCc1nnc(N2CCNC(=O)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001555108010 1069186623 /nfs/dbraw/zinc/18/66/23/1069186623.db2.gz PTIPGFHIGMYFSK-LJQANCHMSA-N 0 0 451.505 -0.649 20 0 JBADRN COc1ccccc1OCc1nnc(N2CCN3CCOC[C@@H]3C2)n1CCNS(C)(=O)=O ZINC001555108834 1069186814 /nfs/dbraw/zinc/18/68/14/1069186814.db2.gz YKHLXBFAULXLTJ-INIZCTEOSA-N 0 0 466.564 -0.064 20 0 JBADRN COc1ccccc1OCc1nnc(N2CCN3CCOC[C@H]3C2)n1CCNS(C)(=O)=O ZINC001555108835 1069186637 /nfs/dbraw/zinc/18/66/37/1069186637.db2.gz YKHLXBFAULXLTJ-MRXNPFEDSA-N 0 0 466.564 -0.064 20 0 JBADRN COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001555124620 1069186733 /nfs/dbraw/zinc/18/67/33/1069186733.db2.gz AHQYBLXPXJHARP-HNNXBMFYSA-N 0 0 492.606 -0.259 20 0 JBADRN COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001555124621 1069186855 /nfs/dbraw/zinc/18/68/55/1069186855.db2.gz AHQYBLXPXJHARP-OAHLLOKOSA-N 0 0 492.606 -0.259 20 0 JBADRN COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001555124728 1069186801 /nfs/dbraw/zinc/18/68/01/1069186801.db2.gz BSGJKNTWJZTAHX-GXTWGEPZSA-N 0 0 450.525 -0.446 20 0 JBADRN COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001555124731 1069186767 /nfs/dbraw/zinc/18/67/67/1069186767.db2.gz BSGJKNTWJZTAHX-JSGCOSHPSA-N 0 0 450.525 -0.446 20 0 JBADRN COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001555124733 1069186751 /nfs/dbraw/zinc/18/67/51/1069186751.db2.gz BSGJKNTWJZTAHX-OCCSQVGLSA-N 0 0 450.525 -0.446 20 0 JBADRN COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001555124735 1069186875 /nfs/dbraw/zinc/18/68/75/1069186875.db2.gz BSGJKNTWJZTAHX-TZMCWYRMSA-N 0 0 450.525 -0.446 20 0 JBADRN CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001555135149 1069186794 /nfs/dbraw/zinc/18/67/94/1069186794.db2.gz BZHAVIOJAJDNSF-BFYDXBDKSA-N 0 0 497.622 -0.369 20 0 JBADRN CO[C@@H]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001555135152 1069186743 /nfs/dbraw/zinc/18/67/43/1069186743.db2.gz BZHAVIOJAJDNSF-HLLBOEOZSA-N 0 0 497.622 -0.369 20 0 JBADRN CO[C@@H]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001555135155 1069186728 /nfs/dbraw/zinc/18/67/28/1069186728.db2.gz BZHAVIOJAJDNSF-YQQAZPJKSA-N 0 0 497.622 -0.369 20 0 JBADRN CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001555135156 1069186666 /nfs/dbraw/zinc/18/66/66/1069186666.db2.gz BZHAVIOJAJDNSF-ZMSDIMECSA-N 0 0 497.622 -0.369 20 0 JBADRN CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)C1 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COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)OC ZINC001555247104 1069195278 /nfs/dbraw/zinc/19/52/78/1069195278.db2.gz RAHUJTHHUMUDNF-OAHLLOKOSA-N 0 0 453.544 -0.749 20 0 JBADRN COC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)OC ZINC001555247963 1069195249 /nfs/dbraw/zinc/19/52/49/1069195249.db2.gz BRASUWVEQWNKGJ-ILXRZTDVSA-N 0 0 467.614 -0.047 20 0 JBADRN COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)OC ZINC001555247966 1069195285 /nfs/dbraw/zinc/19/52/85/1069195285.db2.gz BRASUWVEQWNKGJ-KKUMJFAQSA-N 0 0 467.614 -0.047 20 0 JBADRN COC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)OC ZINC001555247969 1069195262 /nfs/dbraw/zinc/19/52/62/1069195262.db2.gz BRASUWVEQWNKGJ-QLFBSQMISA-N 0 0 467.614 -0.047 20 0 JBADRN COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)OC ZINC001555247971 1069195367 /nfs/dbraw/zinc/19/53/67/1069195367.db2.gz BRASUWVEQWNKGJ-SOUVJXGZSA-N 0 0 467.614 -0.047 20 0 JBADRN 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COC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCOC2)C1 ZINC001555351409 1069199546 /nfs/dbraw/zinc/19/95/46/1069199546.db2.gz GHODZPYSGXEAJC-JTDSTZFVSA-N 0 0 459.569 -0.375 20 0 JBADRN COC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCOC2)C1 ZINC001555351410 1069199535 /nfs/dbraw/zinc/19/95/35/1069199535.db2.gz GHODZPYSGXEAJC-MDZRGWNJSA-N 0 0 459.569 -0.375 20 0 JBADRN COCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CC1 ZINC001555369684 1069199522 /nfs/dbraw/zinc/19/95/22/1069199522.db2.gz JAMVQHZYZLQPFR-KRWDZBQOSA-N 0 0 486.595 -0.667 20 0 JBADRN COCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CC1 ZINC001555369686 1069199415 /nfs/dbraw/zinc/19/94/15/1069199415.db2.gz JAMVQHZYZLQPFR-QGZVFWFLSA-N 0 0 486.595 -0.667 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2n[nH]c(C)n2)C1 ZINC001555370851 1069199494 /nfs/dbraw/zinc/19/94/94/1069199494.db2.gz NPJSNLQDMOMKNO-CABCVRRESA-N 0 0 454.557 -0.247 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2n[nH]c(C)n2)C1 ZINC001555370854 1069199424 /nfs/dbraw/zinc/19/94/24/1069199424.db2.gz NPJSNLQDMOMKNO-GJZGRUSLSA-N 0 0 454.557 -0.247 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2n[nH]c(C)n2)C1 ZINC001555370857 1069199307 /nfs/dbraw/zinc/19/93/07/1069199307.db2.gz NPJSNLQDMOMKNO-HUUCEWRRSA-N 0 0 454.557 -0.247 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2n[nH]c(C)n2)C1 ZINC001555370859 1069199381 /nfs/dbraw/zinc/19/93/81/1069199381.db2.gz NPJSNLQDMOMKNO-LSDHHAIUSA-N 0 0 454.557 -0.247 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001555371735 1069199469 /nfs/dbraw/zinc/19/94/69/1069199469.db2.gz RFRJPOMCHPZDKD-CABCVRRESA-N 0 0 462.594 -0.407 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001555371736 1069199339 /nfs/dbraw/zinc/19/93/39/1069199339.db2.gz RFRJPOMCHPZDKD-GJZGRUSLSA-N 0 0 462.594 -0.407 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001555371737 1069199478 /nfs/dbraw/zinc/19/94/78/1069199478.db2.gz RFRJPOMCHPZDKD-HUUCEWRRSA-N 0 0 462.594 -0.407 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001555371738 1069199361 /nfs/dbraw/zinc/19/93/61/1069199361.db2.gz RFRJPOMCHPZDKD-LSDHHAIUSA-N 0 0 462.594 -0.407 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCSC2)C1 ZINC001555372041 1069199515 /nfs/dbraw/zinc/19/95/15/1069199515.db2.gz UQTDMBNJJJTKPV-IIDMSEBBSA-N 0 0 461.610 -0.048 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCSC2)C1 ZINC001555372042 1069199542 /nfs/dbraw/zinc/19/95/42/1069199542.db2.gz UQTDMBNJJJTKPV-RKVPGOIHSA-N 0 0 461.610 -0.048 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCSC2)C1 ZINC001555372043 1069199372 /nfs/dbraw/zinc/19/93/72/1069199372.db2.gz UQTDMBNJJJTKPV-RVKKMQEKSA-N 0 0 461.610 -0.048 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCSC2)C1 ZINC001555372044 1069199451 /nfs/dbraw/zinc/19/94/51/1069199451.db2.gz UQTDMBNJJJTKPV-VKJFTORMSA-N 0 0 461.610 -0.048 20 0 JBADRN COCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CC1 ZINC001555372045 1069199528 /nfs/dbraw/zinc/19/95/28/1069199528.db2.gz UQXCSOQOFRQWKJ-INIZCTEOSA-N 0 0 479.625 -0.092 20 0 JBADRN COCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CC1 ZINC001555372046 1069199485 /nfs/dbraw/zinc/19/94/85/1069199485.db2.gz UQXCSOQOFRQWKJ-MRXNPFEDSA-N 0 0 479.625 -0.092 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)C1 ZINC001555372115 1069199458 /nfs/dbraw/zinc/19/94/58/1069199458.db2.gz VQFTTXSRMAOHDU-CVEARBPZSA-N 0 0 456.569 -0.390 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)C1 ZINC001555372116 1069200058 /nfs/dbraw/zinc/20/00/58/1069200058.db2.gz VQFTTXSRMAOHDU-HOTGVXAUSA-N 0 0 456.569 -0.390 20 0 JBADRN COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)C1 ZINC001555372117 1069200167 /nfs/dbraw/zinc/20/01/67/1069200167.db2.gz VQFTTXSRMAOHDU-HZPDHXFCSA-N 0 0 456.569 -0.390 20 0 JBADRN COC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)C1 ZINC001555372118 1069199974 /nfs/dbraw/zinc/19/99/74/1069199974.db2.gz VQFTTXSRMAOHDU-JKSUJKDBSA-N 0 0 456.569 -0.390 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC001555381153 1069199998 /nfs/dbraw/zinc/19/99/98/1069199998.db2.gz KVKAHYOSHQREJU-JONQDZQNSA-N 0 0 494.640 -0.590 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC001555381154 1069200006 /nfs/dbraw/zinc/20/00/06/1069200006.db2.gz KVKAHYOSHQREJU-QXSJWSMHSA-N 0 0 494.640 -0.590 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC001555381155 1069200117 /nfs/dbraw/zinc/20/01/17/1069200117.db2.gz KVKAHYOSHQREJU-UGUYLWEFSA-N 0 0 494.640 -0.590 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC001555381156 1069200189 /nfs/dbraw/zinc/20/01/89/1069200189.db2.gz KVKAHYOSHQREJU-VGWMRTNUSA-N 0 0 494.640 -0.590 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001555381387 1069200083 /nfs/dbraw/zinc/20/00/83/1069200083.db2.gz NIUZIYUTICUJDM-NCOADZHNSA-N 0 0 460.601 -0.151 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001555381388 1069200038 /nfs/dbraw/zinc/20/00/38/1069200038.db2.gz NIUZIYUTICUJDM-QAETUUGQSA-N 0 0 460.601 -0.151 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@H]2C)C[C@H](C)O1 ZINC001555381389 1069200210 /nfs/dbraw/zinc/20/02/10/1069200210.db2.gz NIUZIYUTICUJDM-QZWWFDLISA-N 0 0 460.601 -0.151 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001555381390 1069200239 /nfs/dbraw/zinc/20/02/39/1069200239.db2.gz NIUZIYUTICUJDM-YVSFHVDLSA-N 0 0 460.601 -0.151 20 0 JBADRN COC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)n(C)c2=O)CCO1 ZINC001555382629 1069200137 /nfs/dbraw/zinc/20/01/37/1069200137.db2.gz USWMJZLUNYDQBX-GDBMZVCRSA-N 0 0 454.553 -0.205 20 0 JBADRN COC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)n(C)c2=O)CCO1 ZINC001555382630 1069200126 /nfs/dbraw/zinc/20/01/26/1069200126.db2.gz USWMJZLUNYDQBX-GOEBONIOSA-N 0 0 454.553 -0.205 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)n(C)c2=O)CCO1 ZINC001555382631 1069199987 /nfs/dbraw/zinc/19/99/87/1069199987.db2.gz USWMJZLUNYDQBX-HOCLYGCPSA-N 0 0 454.553 -0.205 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)n(C)c2=O)CCO1 ZINC001555382632 1069200025 /nfs/dbraw/zinc/20/00/25/1069200025.db2.gz USWMJZLUNYDQBX-ZBFHGGJFSA-N 0 0 454.553 -0.205 20 0 JBADRN COC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001555382907 1069200149 /nfs/dbraw/zinc/20/01/49/1069200149.db2.gz VYEYKJHMLAAQBS-GHMZBOCLSA-N 0 0 458.463 -0.582 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001555382908 1069200068 /nfs/dbraw/zinc/20/00/68/1069200068.db2.gz VYEYKJHMLAAQBS-MNOVXSKESA-N 0 0 458.463 -0.582 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001555382909 1069200156 /nfs/dbraw/zinc/20/01/56/1069200156.db2.gz VYEYKJHMLAAQBS-QWRGUYRKSA-N 0 0 458.463 -0.582 20 0 JBADRN COC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)(F)F)CCO1 ZINC001555382910 1069200176 /nfs/dbraw/zinc/20/01/76/1069200176.db2.gz VYEYKJHMLAAQBS-WDEREUQCSA-N 0 0 458.463 -0.582 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C[C@H](C)O1 ZINC001555395891 1069200014 /nfs/dbraw/zinc/20/00/14/1069200014.db2.gz COEQSQHQRRWQTB-BBWFWOEESA-N 0 0 471.580 -0.331 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C[C@@H](C)O1 ZINC001555395894 1069200786 /nfs/dbraw/zinc/20/07/86/1069200786.db2.gz COEQSQHQRRWQTB-IKGGRYGDSA-N 0 0 471.580 -0.331 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C[C@H](C)O1 ZINC001555395896 1069200739 /nfs/dbraw/zinc/20/07/39/1069200739.db2.gz COEQSQHQRRWQTB-ULQDDVLXSA-N 0 0 471.580 -0.331 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C[C@@H](C)O1 ZINC001555395898 1069200639 /nfs/dbraw/zinc/20/06/39/1069200639.db2.gz COEQSQHQRRWQTB-ZACQAIPSSA-N 0 0 471.580 -0.331 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC001555396257 1069200648 /nfs/dbraw/zinc/20/06/48/1069200648.db2.gz FIZVGBHWMGAGLM-ILXRZTDVSA-N 0 0 450.583 -0.145 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC001555396258 1069200883 /nfs/dbraw/zinc/20/08/83/1069200883.db2.gz FIZVGBHWMGAGLM-KFWWJZLASA-N 0 0 450.583 -0.145 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001555396259 1069200687 /nfs/dbraw/zinc/20/06/87/1069200687.db2.gz FIZVGBHWMGAGLM-KKUMJFAQSA-N 0 0 450.583 -0.145 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001555396260 1069200861 /nfs/dbraw/zinc/20/08/61/1069200861.db2.gz FIZVGBHWMGAGLM-ZNMIVQPWSA-N 0 0 450.583 -0.145 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C[C@H](C)O1 ZINC001555396821 1069200769 /nfs/dbraw/zinc/20/07/69/1069200769.db2.gz HTMCLQWSNQYOMP-HRCADAONSA-N 0 0 459.569 -0.234 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C[C@H](C)O1 ZINC001555396822 1069200829 /nfs/dbraw/zinc/20/08/29/1069200829.db2.gz HTMCLQWSNQYOMP-JYJNAYRXSA-N 0 0 459.569 -0.234 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C[C@@H](C)O1 ZINC001555396823 1069200716 /nfs/dbraw/zinc/20/07/16/1069200716.db2.gz HTMCLQWSNQYOMP-OWCLPIDISA-N 0 0 459.569 -0.234 20 0 JBADRN COC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C[C@@H](C)O1 ZINC001555396824 1069200673 /nfs/dbraw/zinc/20/06/73/1069200673.db2.gz HTMCLQWSNQYOMP-PMPSAXMXSA-N 0 0 459.569 -0.234 20 0 JBADRN 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COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC1(O)CCC1 ZINC001555658984 1069222468 /nfs/dbraw/zinc/22/24/68/1069222468.db2.gz JXBQVHSDUAUBDD-GOSISDBHSA-N 0 0 494.593 -0.185 20 0 JBADRN COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC1(O)CCC1 ZINC001555658986 1069222480 /nfs/dbraw/zinc/22/24/80/1069222480.db2.gz JXBQVHSDUAUBDD-SFHVURJKSA-N 0 0 494.593 -0.185 20 0 JBADRN COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC(=O)NC(C)C ZINC001555659413 1069223097 /nfs/dbraw/zinc/22/30/97/1069223097.db2.gz OTVHHTNCMDMKBB-KRWDZBQOSA-N 0 0 495.581 -0.966 20 0 JBADRN COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC(=O)NC(C)C ZINC001555659414 1069223080 /nfs/dbraw/zinc/22/30/80/1069223080.db2.gz OTVHHTNCMDMKBB-QGZVFWFLSA-N 0 0 495.581 -0.966 20 0 JBADRN COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@H]1COCCO1 ZINC001555659639 1069223191 /nfs/dbraw/zinc/22/31/91/1069223191.db2.gz VCFKYFYFMLGJNH-IRXDYDNUSA-N 0 0 468.555 -0.409 20 0 JBADRN 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCCNS(C)(=O)=O ZINC001555753640 1069228180 /nfs/dbraw/zinc/22/81/80/1069228180.db2.gz UGDKAXKVQPMQRQ-KKUMJFAQSA-N 0 0 457.557 -0.845 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCCNS(C)(=O)=O ZINC001555753641 1069228119 /nfs/dbraw/zinc/22/81/19/1069228119.db2.gz UGDKAXKVQPMQRQ-ZNMIVQPWSA-N 0 0 457.557 -0.845 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@]1(O)CCOC1 ZINC001555753747 1069228218 /nfs/dbraw/zinc/22/82/18/1069228218.db2.gz RYQLLTPDUVCXOS-JLMWRMLUSA-N 0 0 466.583 -0.200 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@]1(O)CCOC1 ZINC001555753748 1069227997 /nfs/dbraw/zinc/22/79/97/1069227997.db2.gz RYQLLTPDUVCXOS-LQBOVUBWSA-N 0 0 466.583 -0.200 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001555753827 1069228104 /nfs/dbraw/zinc/22/81/04/1069228104.db2.gz WBRFAICLHMACTL-IRXDYDNUSA-N 0 0 491.636 -0.092 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCCNS(C)(=O)=O ZINC001555753832 1069228316 /nfs/dbraw/zinc/22/83/16/1069228316.db2.gz WIWCWSCGXJIBHZ-DOXZYTNZSA-N 0 0 472.568 -0.028 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCCNS(C)(=O)=O ZINC001555753833 1069228774 /nfs/dbraw/zinc/22/87/74/1069228774.db2.gz WIWCWSCGXJIBHZ-YZVOILCLSA-N 0 0 472.568 -0.028 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC(=O)NC(C)C ZINC001555753843 1069228802 /nfs/dbraw/zinc/22/88/02/1069228802.db2.gz WOVOWIKWGUUJAT-UXLLHSPISA-N 0 0 463.539 -0.936 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC(=O)NC(C)C ZINC001555753844 1069228742 /nfs/dbraw/zinc/22/87/42/1069228742.db2.gz WOVOWIKWGUUJAT-ZOBUZTSGSA-N 0 0 463.539 -0.936 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@]1(O)CCOC1 ZINC001555753872 1069228679 /nfs/dbraw/zinc/22/86/79/1069228679.db2.gz XAAWUOARZIVFOC-FPXQBCRKSA-N 0 0 459.569 -0.376 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@]1(O)CCOC1 ZINC001555753873 1069228830 /nfs/dbraw/zinc/22/88/30/1069228830.db2.gz XAAWUOARZIVFOC-IUVQAAGXSA-N 0 0 459.569 -0.376 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCOCC(F)F ZINC001555753881 1069228722 /nfs/dbraw/zinc/22/87/22/1069228722.db2.gz XBQLHPLFEKVHFN-GUTXKFCHSA-N 0 0 458.466 -0.569 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCOCC(F)F ZINC001555753882 1069228641 /nfs/dbraw/zinc/22/86/41/1069228641.db2.gz XBQLHPLFEKVHFN-YDHLFZDLSA-N 0 0 458.466 -0.569 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCOCCS(C)(=O)=O ZINC001555753893 1069228940 /nfs/dbraw/zinc/22/89/40/1069228940.db2.gz XOIQUPPJJBYEND-JYJNAYRXSA-N 0 0 472.568 -0.723 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCOCCS(C)(=O)=O ZINC001555753894 1069228903 /nfs/dbraw/zinc/22/89/03/1069228903.db2.gz XOIQUPPJJBYEND-XHSDSOJGSA-N 0 0 472.568 -0.723 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@]1(O)CCOC1 ZINC001555753989 1069228816 /nfs/dbraw/zinc/22/88/16/1069228816.db2.gz SVVPBKRQWWFOGI-DJPFJPOOSA-N 0 0 452.556 -0.636 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@]1(O)CCOC1 ZINC001555753991 1069228666 /nfs/dbraw/zinc/22/86/66/1069228666.db2.gz SVVPBKRQWWFOGI-MDKPJZGXSA-N 0 0 452.556 -0.636 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC(=O)NC(C)C ZINC001555754052 1069228844 /nfs/dbraw/zinc/22/88/44/1069228844.db2.gz VCCYAYABDQKREZ-JXFKEZNVSA-N 0 0 463.583 -0.073 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC(=O)N1CCOCC1 ZINC001555754084 1069228888 /nfs/dbraw/zinc/22/88/88/1069228888.db2.gz VTGYPXJEBJEAEO-RXVVDRJESA-N 0 0 493.609 -0.539 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001555754128 1069228866 /nfs/dbraw/zinc/22/88/66/1069228866.db2.gz XCDPNYZOYHSILS-QKLQHJQFSA-N 0 0 463.583 -0.073 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCS(C)(=O)=O ZINC001555754172 1069228692 /nfs/dbraw/zinc/22/86/92/1069228692.db2.gz YMHVVCJJLULGJT-HKUYNNGSSA-N 0 0 484.623 -0.209 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001555755260 1069228919 /nfs/dbraw/zinc/22/89/19/1069228919.db2.gz XRJWJUXAOWTPHH-OYSTVDSJSA-N 0 0 453.540 -0.117 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001555755261 1069228787 /nfs/dbraw/zinc/22/87/87/1069228787.db2.gz XRJWJUXAOWTPHH-QTMHVTGLSA-N 0 0 453.540 -0.117 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCNS(C)(=O)=O ZINC001555755352 1069228961 /nfs/dbraw/zinc/22/89/61/1069228961.db2.gz BCUDTEHMEJJVOK-MPTYRVRUSA-N 0 0 456.569 -0.392 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCS(=O)(=O)N(C)C ZINC001555756703 1069228655 /nfs/dbraw/zinc/22/86/55/1069228655.db2.gz KBEFENCIMXZJLW-BXWFABGCSA-N 0 0 459.569 -0.111 20 0 JBADRN 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CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001555765512 1069229447 /nfs/dbraw/zinc/22/94/47/1069229447.db2.gz DVMQGPYKQKCMNV-KGLIPLIRSA-N 0 0 468.527 -0.035 20 0 JBADRN CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001555765514 1069229357 /nfs/dbraw/zinc/22/93/57/1069229357.db2.gz DVMQGPYKQKCMNV-UONOGXRCSA-N 0 0 468.527 -0.035 20 0 JBADRN CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001555765516 1069229384 /nfs/dbraw/zinc/22/93/84/1069229384.db2.gz DVMQGPYKQKCMNV-ZIAGYGMSSA-N 0 0 468.527 -0.035 20 0 JBADRN CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001555765737 1069229461 /nfs/dbraw/zinc/22/94/61/1069229461.db2.gz HBYMCDSBJQUINU-CYBMUJFWSA-N 0 0 451.571 -0.034 20 0 JBADRN CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001555765741 1069229322 /nfs/dbraw/zinc/22/93/22/1069229322.db2.gz HBYMCDSBJQUINU-ZDUSSCGKSA-N 0 0 451.571 -0.034 20 0 JBADRN 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CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCOCC2)C1 ZINC001555815691 1069243691 /nfs/dbraw/zinc/24/36/91/1069243691.db2.gz PVWMJSSLIUVOKI-LSDHHAIUSA-N 0 0 456.569 -0.464 20 0 JBADRN CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCOCC2)C1 ZINC001555815736 1069243911 /nfs/dbraw/zinc/24/39/11/1069243911.db2.gz QJYGENNAJDOREY-INIZCTEOSA-N 0 0 478.579 -0.250 20 0 JBADRN CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCOCC2)C1 ZINC001555815737 1069243732 /nfs/dbraw/zinc/24/37/32/1069243732.db2.gz QJYGENNAJDOREY-MRXNPFEDSA-N 0 0 478.579 -0.250 20 0 JBADRN CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)C1 ZINC001555815865 1069243895 /nfs/dbraw/zinc/24/38/95/1069243895.db2.gz UANZEYWNOXELFX-KRWDZBQOSA-N 0 0 497.622 -0.471 20 0 JBADRN CS(=O)(=O)NC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)C1 ZINC001555815866 1069243976 /nfs/dbraw/zinc/24/39/76/1069243976.db2.gz UANZEYWNOXELFX-QGZVFWFLSA-N 0 0 497.622 -0.471 20 0 JBADRN CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2ccnn2)C1 ZINC001555815883 1069244543 /nfs/dbraw/zinc/24/45/43/1069244543.db2.gz UKCBYIXLPOTQEA-CABCVRRESA-N 0 0 451.557 -0.323 20 0 JBADRN CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2ccnn2)C1 ZINC001555815884 1069244501 /nfs/dbraw/zinc/24/45/01/1069244501.db2.gz UKCBYIXLPOTQEA-GJZGRUSLSA-N 0 0 451.557 -0.323 20 0 JBADRN CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2ccnn2)C1 ZINC001555815885 1069244389 /nfs/dbraw/zinc/24/43/89/1069244389.db2.gz UKCBYIXLPOTQEA-HUUCEWRRSA-N 0 0 451.557 -0.323 20 0 JBADRN CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2ccnn2)C1 ZINC001555815886 1069244313 /nfs/dbraw/zinc/24/43/13/1069244313.db2.gz UKCBYIXLPOTQEA-LSDHHAIUSA-N 0 0 451.557 -0.323 20 0 JBADRN CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(=O)N2CCOCC2)C1 ZINC001555815908 1069244353 /nfs/dbraw/zinc/24/43/53/1069244353.db2.gz USVCAEICEMUEKK-KRWDZBQOSA-N 0 0 477.591 -0.112 20 0 JBADRN 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ZINC001555817075 1069244238 /nfs/dbraw/zinc/24/42/38/1069244238.db2.gz YLKNVQWSGMXIAN-UHFFFAOYSA-N 0 0 467.596 -0.052 20 0 JBADRN CS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001555817340 1069244374 /nfs/dbraw/zinc/24/43/74/1069244374.db2.gz OZHZRFJHRBUMAT-GOSISDBHSA-N 0 0 499.638 -0.560 20 0 JBADRN CS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001555817341 1069244483 /nfs/dbraw/zinc/24/44/83/1069244483.db2.gz OZHZRFJHRBUMAT-SFHVURJKSA-N 0 0 499.638 -0.560 20 0 JBADRN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001555817432 1069244258 /nfs/dbraw/zinc/24/42/58/1069244258.db2.gz AQKBXEWJFVUNRV-CABCVRRESA-N 0 0 453.569 -0.413 20 0 JBADRN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001555817433 1069244459 /nfs/dbraw/zinc/24/44/59/1069244459.db2.gz AQKBXEWJFVUNRV-GJZGRUSLSA-N 0 0 453.569 -0.413 20 0 JBADRN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001555817434 1069244402 /nfs/dbraw/zinc/24/44/02/1069244402.db2.gz AQKBXEWJFVUNRV-HUUCEWRRSA-N 0 0 453.569 -0.413 20 0 JBADRN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001555817435 1069244303 /nfs/dbraw/zinc/24/43/03/1069244303.db2.gz AQKBXEWJFVUNRV-LSDHHAIUSA-N 0 0 453.569 -0.413 20 0 JBADRN CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001555817439 1069244432 /nfs/dbraw/zinc/24/44/32/1069244432.db2.gz AYGCHFZQIYWXHG-QGZVFWFLSA-N 0 0 469.612 -0.388 20 0 JBADRN CS(=O)(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 ZINC001555817636 1069244947 /nfs/dbraw/zinc/24/49/47/1069244947.db2.gz FLIGSLUFJMRHCS-UHFFFAOYSA-N 0 0 474.996 -0.021 20 0 JBADRN CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001555817692 1069245133 /nfs/dbraw/zinc/24/51/33/1069245133.db2.gz HTEBBRHTFJZDFS-HNNXBMFYSA-N 0 0 452.541 -0.835 20 0 JBADRN CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001555817693 1069245030 /nfs/dbraw/zinc/24/50/30/1069245030.db2.gz HTEBBRHTFJZDFS-OAHLLOKOSA-N 0 0 452.541 -0.835 20 0 JBADRN CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001555817713 1069245081 /nfs/dbraw/zinc/24/50/81/1069245081.db2.gz IBRHSLMCMYIWIK-UHFFFAOYSA-N 0 0 468.609 -0.158 20 0 JBADRN CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001555817717 1069244879 /nfs/dbraw/zinc/24/48/79/1069244879.db2.gz IFPVMHNZXSLYFR-UHFFFAOYSA-N 0 0 496.638 -0.802 20 0 JBADRN CS(=O)(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 ZINC001555817731 1069244927 /nfs/dbraw/zinc/24/49/27/1069244927.db2.gz UUETZUJLAGUXDN-UHFFFAOYSA-N 0 0 463.568 -0.672 20 0 JBADRN CS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001555817783 1069244971 /nfs/dbraw/zinc/24/49/71/1069244971.db2.gz WQHCJVPXIVNCBB-HNNXBMFYSA-N 0 0 479.538 -0.906 20 0 JBADRN CS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001555817784 1069244863 /nfs/dbraw/zinc/24/48/63/1069244863.db2.gz WQHCJVPXIVNCBB-OAHLLOKOSA-N 0 0 479.538 -0.906 20 0 JBADRN CS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001555817786 1069245148 /nfs/dbraw/zinc/24/51/48/1069245148.db2.gz WRFMAFAIOSSMBM-GOSISDBHSA-N 0 0 483.639 -0.144 20 0 JBADRN CS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001555817787 1069245016 /nfs/dbraw/zinc/24/50/16/1069245016.db2.gz WRFMAFAIOSSMBM-SFHVURJKSA-N 0 0 483.639 -0.144 20 0 JBADRN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001555817846 1069245140 /nfs/dbraw/zinc/24/51/40/1069245140.db2.gz JKXDCQXHVCGLJM-CABCVRRESA-N 0 0 453.569 -0.698 20 0 JBADRN CS(=O)(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001555817911 1069245055 /nfs/dbraw/zinc/24/50/55/1069245055.db2.gz LWUOEZZKASVAAG-INIZCTEOSA-N 0 0 478.579 -0.367 20 0 JBADRN CS(=O)(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001555817912 1069244894 /nfs/dbraw/zinc/24/48/94/1069244894.db2.gz LWUOEZZKASVAAG-MRXNPFEDSA-N 0 0 478.579 -0.367 20 0 JBADRN CS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001555818032 1069245042 /nfs/dbraw/zinc/24/50/42/1069245042.db2.gz ZOJAKESVQJFJHZ-AWEZNQCLSA-N 0 0 467.577 -0.983 20 0 JBADRN CS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001555818034 1069245112 /nfs/dbraw/zinc/24/51/12/1069245112.db2.gz ZOJAKESVQJFJHZ-CQSZACIVSA-N 0 0 467.577 -0.983 20 0 JBADRN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001555818123 1069245591 /nfs/dbraw/zinc/24/55/91/1069245591.db2.gz PGDNPIUSEYRGFE-KRWDZBQOSA-N 0 0 469.612 -0.502 20 0 JBADRN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001555818124 1069245663 /nfs/dbraw/zinc/24/56/63/1069245663.db2.gz PGDNPIUSEYRGFE-QGZVFWFLSA-N 0 0 469.612 -0.502 20 0 JBADRN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001555818139 1069245769 /nfs/dbraw/zinc/24/57/69/1069245769.db2.gz PQEDIPCEQKULLN-UHFFFAOYSA-N 0 0 482.611 -0.322 20 0 JBADRN CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001555818157 1069245721 /nfs/dbraw/zinc/24/57/21/1069245721.db2.gz QFDRXWMSKBZCSA-CVEARBPZSA-N 0 0 456.569 -0.104 20 0 JBADRN CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001555818158 1069245396 /nfs/dbraw/zinc/24/53/96/1069245396.db2.gz QFDRXWMSKBZCSA-HZPDHXFCSA-N 0 0 456.569 -0.104 20 0 JBADRN CS(=O)(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 ZINC001555818160 1069245379 /nfs/dbraw/zinc/24/53/79/1069245379.db2.gz QLZYGJUXPGQPFZ-UHFFFAOYSA-N 0 0 455.566 -0.465 20 0 JBADRN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001555818187 1069245411 /nfs/dbraw/zinc/24/54/11/1069245411.db2.gz RITUBSMVDFHWNA-INIZCTEOSA-N 0 0 467.596 -0.069 20 0 JBADRN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001555818188 1069245629 /nfs/dbraw/zinc/24/56/29/1069245629.db2.gz RITUBSMVDFHWNA-MRXNPFEDSA-N 0 0 467.596 -0.069 20 0 JBADRN CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001555818210 1069245497 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/nfs/dbraw/zinc/30/21/21/1069302121.db2.gz RTPBZGHGLMFGGT-CVEARBPZSA-N 0 0 455.558 -0.170 20 0 JBADRN CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)Cc2ccccc21 ZINC001567293228 1069301819 /nfs/dbraw/zinc/30/18/19/1069301819.db2.gz RTPBZGHGLMFGGT-HOTGVXAUSA-N 0 0 455.558 -0.170 20 0 JBADRN CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)Cc2ccccc21 ZINC001567293229 1069302011 /nfs/dbraw/zinc/30/20/11/1069302011.db2.gz RTPBZGHGLMFGGT-HZPDHXFCSA-N 0 0 455.558 -0.170 20 0 JBADRN CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)Cc2ccccc21 ZINC001567293231 1069301863 /nfs/dbraw/zinc/30/18/63/1069301863.db2.gz RTPBZGHGLMFGGT-JKSUJKDBSA-N 0 0 455.558 -0.170 20 0 JBADRN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ncc(F)cn3)CC2)c1 ZINC001567445530 1069301921 /nfs/dbraw/zinc/30/19/21/1069301921.db2.gz LSQMICDPCJXYES-UHFFFAOYSA-N 0 0 457.509 -0.354 20 0 JBADRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1C ZINC001567451919 1069302528 /nfs/dbraw/zinc/30/25/28/1069302528.db2.gz AZUABYVDGWGOKQ-UHFFFAOYSA-N 0 0 456.550 -0.425 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1 ZINC001567453069 1069302631 /nfs/dbraw/zinc/30/26/31/1069302631.db2.gz RRZJAXBJEVNJLY-UHFFFAOYSA-N 0 0 456.550 -0.018 20 0 JBADRN Cc1cc(N2CCC[C@H](N3CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)C2=O)n(C)n1 ZINC001567497515 1069302412 /nfs/dbraw/zinc/30/24/12/1069302412.db2.gz CMFZRCMBFYETAM-KRWDZBQOSA-N 0 0 452.581 -0.901 20 0 JBADRN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)C2=O)n(C)n1 ZINC001567497518 1069302501 /nfs/dbraw/zinc/30/25/01/1069302501.db2.gz CMFZRCMBFYETAM-QGZVFWFLSA-N 0 0 452.581 -0.901 20 0 JBADRN Cc1cc(N2CCC[C@H](N3CCN(C(=O)C4(CS(C)(=O)=O)COC4)CC3)C2=O)n(C)n1 ZINC001567498019 1069302560 /nfs/dbraw/zinc/30/25/60/1069302560.db2.gz RZJYXDODVUUYAB-INIZCTEOSA-N 0 0 453.565 -0.571 20 0 JBADRN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C4(CS(C)(=O)=O)COC4)CC3)C2=O)n(C)n1 ZINC001567498020 1069302314 /nfs/dbraw/zinc/30/23/14/1069302314.db2.gz RZJYXDODVUUYAB-MRXNPFEDSA-N 0 0 453.565 -0.571 20 0 JBADRN Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)C)CC3)C2=O)n(C)n1 ZINC001567498191 1069302471 /nfs/dbraw/zinc/30/24/71/1069302471.db2.gz YHVXNZLJYNUUPP-FUHWJXTLSA-N 0 0 454.597 -0.058 20 0 JBADRN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)C)CC3)C2=O)n(C)n1 ZINC001567498192 1069302398 /nfs/dbraw/zinc/30/23/98/1069302398.db2.gz YHVXNZLJYNUUPP-SJLPKXTDSA-N 0 0 454.597 -0.058 20 0 JBADRN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CC[C@H](CO)[C@@H](O)C1 ZINC001567523539 1069302592 /nfs/dbraw/zinc/30/25/92/1069302592.db2.gz JOBCSASFCXYINJ-PBHICJAKSA-N 0 0 453.517 -0.029 20 0 JBADRN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CC[C@H](CO)[C@H](O)C1 ZINC001567523540 1069302573 /nfs/dbraw/zinc/30/25/73/1069302573.db2.gz JOBCSASFCXYINJ-RHSMWYFYSA-N 0 0 453.517 -0.029 20 0 JBADRN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CC[C@@H](CO)[C@H](O)C1 ZINC001567523541 1069302331 /nfs/dbraw/zinc/30/23/31/1069302331.db2.gz JOBCSASFCXYINJ-WMLDXEAASA-N 0 0 453.517 -0.029 20 0 JBADRN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001567523542 1069302454 /nfs/dbraw/zinc/30/24/54/1069302454.db2.gz JOBCSASFCXYINJ-YOEHRIQHSA-N 0 0 453.517 -0.029 20 0 JBADRN CC(=O)OC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001567525693 1069302482 /nfs/dbraw/zinc/30/24/82/1069302482.db2.gz GFTJGYPFFHJBKL-KRWDZBQOSA-N 0 0 455.533 -0.352 20 0 JBADRN CC(=O)OC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001567525694 1069302443 /nfs/dbraw/zinc/30/24/43/1069302443.db2.gz GFTJGYPFFHJBKL-QGZVFWFLSA-N 0 0 455.533 -0.352 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1 ZINC001567532622 1069302373 /nfs/dbraw/zinc/30/23/73/1069302373.db2.gz GYAZZHKOABGEKN-ADKRDUOOSA-N 0 0 453.546 -0.011 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)cc1 ZINC001567532623 1069302515 /nfs/dbraw/zinc/30/25/15/1069302515.db2.gz GYAZZHKOABGEKN-CQGGRAHPSA-N 0 0 453.546 -0.011 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1 ZINC001567532624 1069302545 /nfs/dbraw/zinc/30/25/45/1069302545.db2.gz GYAZZHKOABGEKN-JWRCQZCYSA-N 0 0 453.546 -0.011 20 0 JBADRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)cc1 ZINC001567532625 1069302348 /nfs/dbraw/zinc/30/23/48/1069302348.db2.gz GYAZZHKOABGEKN-SFNQZPIRSA-N 0 0 453.546 -0.011 20 0 JBADRN COCCS(=O)(=O)c1ccc(CNC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)cc1 ZINC001567549487 1069302609 /nfs/dbraw/zinc/30/26/09/1069302609.db2.gz IRDNJUOVUHBNEO-KZNAEPCWSA-N 0 0 450.517 -0.353 20 0 JBADRN Cn1ncc(I)c1C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001567567899 1069302428 /nfs/dbraw/zinc/30/24/28/1069302428.db2.gz RLNGFMBJDSQYMK-UHFFFAOYSA-N 0 0 450.262 -0.106 20 0 JBADRN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001567622883 1069302856 /nfs/dbraw/zinc/30/28/56/1069302856.db2.gz OCELDGGBFYZIPA-FQEVSTJZSA-N 0 0 458.519 -0.305 20 0 JBADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1C ZINC001567622892 1069302970 /nfs/dbraw/zinc/30/29/70/1069302970.db2.gz OTVMUWVIZFKCHB-UHFFFAOYSA-N 0 0 450.521 -0.929 20 0 JBADRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@H]31)C2 ZINC001567623060 1069302776 /nfs/dbraw/zinc/30/27/76/1069302776.db2.gz RDQUBWUNUMKAPQ-GDZNZVCISA-N 0 0 451.553 -0.799 20 0 JBADRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CCCC[C@@H]1SC[C@H]3NC(=O)N[C@H]13)C2 ZINC001567623061 1069302988 /nfs/dbraw/zinc/30/29/88/1069302988.db2.gz RDQUBWUNUMKAPQ-IGCXYCKISA-N 0 0 451.553 -0.799 20 0 JBADRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CCCC[C@@H]1SC[C@H]3NC(=O)N[C@@H]13)C2 ZINC001567623062 1069303135 /nfs/dbraw/zinc/30/31/35/1069303135.db2.gz RDQUBWUNUMKAPQ-IIYDPXPESA-N 0 0 451.553 -0.799 20 0 JBADRN CCN(C)C(=O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC001567851441 1069302822 /nfs/dbraw/zinc/30/28/22/1069302822.db2.gz UYRPTISSBFGLFR-UHFFFAOYSA-N 0 0 454.549 -0.097 20 0 JBADRN COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC001567863447 1069302919 /nfs/dbraw/zinc/30/29/19/1069302919.db2.gz YVGYFOXOCNEPDK-UHFFFAOYSA-N 0 0 452.533 -0.484 20 0 JBADRN CS(=O)(=O)N1CC(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001567902926 1069302840 /nfs/dbraw/zinc/30/28/40/1069302840.db2.gz GRGYUZYRLMETHB-HIFRSBDPSA-N 0 0 451.954 -0.529 20 0 JBADRN CS(=O)(=O)N1CC(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001567902929 1069303119 /nfs/dbraw/zinc/30/31/19/1069303119.db2.gz GRGYUZYRLMETHB-ZFWWWQNUSA-N 0 0 451.954 -0.529 20 0 JBADRN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CC(NS(C)(=O)=O)C1)n2C ZINC001567933391 1069302798 /nfs/dbraw/zinc/30/27/98/1069302798.db2.gz WXTXRSTXYRVBGU-UHFFFAOYSA-N 0 0 457.578 -0.047 20 0 JBADRN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC3(OCCO)CCOCC3)CC2)cc1 ZINC001567950256 1069303002 /nfs/dbraw/zinc/30/30/02/1069303002.db2.gz XESPWUVCAZXRNF-UHFFFAOYSA-N 0 0 455.577 -0.024 20 0 JBADRN COCCN1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1=O ZINC001568020859 1069302872 /nfs/dbraw/zinc/30/28/72/1069302872.db2.gz IUDOQMWHSKDXQK-UHFFFAOYSA-N 0 0 456.496 -0.433 20 0 JBADRN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)c1 ZINC001568075898 1069303688 /nfs/dbraw/zinc/30/36/88/1069303688.db2.gz BNRIDQSCZXVTJZ-CYBMUJFWSA-N 0 0 452.576 -0.206 20 0 JBADRN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](S(C)(=O)=O)CC2)c1 ZINC001568075901 1069303608 /nfs/dbraw/zinc/30/36/08/1069303608.db2.gz BNRIDQSCZXVTJZ-ZDUSSCGKSA-N 0 0 452.576 -0.206 20 0 JBADRN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC001568079190 1069303566 /nfs/dbraw/zinc/30/35/66/1069303566.db2.gz JBXFSQXMPTYNMB-LLVKDONJSA-N 0 0 457.525 -0.395 20 0 JBADRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC001568079191 1069303410 /nfs/dbraw/zinc/30/34/10/1069303410.db2.gz JBXFSQXMPTYNMB-NSHDSACASA-N 0 0 457.525 -0.395 20 0 JBADRN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC001568079372 1069303511 /nfs/dbraw/zinc/30/35/11/1069303511.db2.gz OLHXXAAVCSZBHN-UHFFFAOYSA-N 0 0 456.493 -0.627 20 0 JBADRN CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC001568132395 1069303525 /nfs/dbraw/zinc/30/35/25/1069303525.db2.gz AQMIBNHIARYZBT-KRWDZBQOSA-N 0 0 455.533 -0.169 20 0 JBADRN CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC001568132396 1069303459 /nfs/dbraw/zinc/30/34/59/1069303459.db2.gz AQMIBNHIARYZBT-QGZVFWFLSA-N 0 0 455.533 -0.169 20 0 JBADRN CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001568132822 1069303578 /nfs/dbraw/zinc/30/35/78/1069303578.db2.gz PWPOWWOWRUWFKV-HNNXBMFYSA-N 0 0 457.480 -0.213 20 0 JBADRN CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001568132823 1069303425 /nfs/dbraw/zinc/30/34/25/1069303425.db2.gz PWPOWWOWRUWFKV-OAHLLOKOSA-N 0 0 457.480 -0.213 20 0 JBADRN 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/nfs/dbraw/zinc/37/82/70/1069378270.db2.gz GIOFAYMJGXAZNX-OAHLLOKOSA-N 0 0 462.555 -0.342 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCOCCS(C)(=O)=O ZINC001608446698 1069378296 /nfs/dbraw/zinc/37/82/96/1069378296.db2.gz HMJBPTPKKGFTJY-UHFFFAOYSA-N 0 0 470.596 -0.074 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001608447290 1069378276 /nfs/dbraw/zinc/37/82/76/1069378276.db2.gz WAJMBSNDUZLZRW-CQSZACIVSA-N 0 0 476.625 -0.146 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001608454518 1069378247 /nfs/dbraw/zinc/37/82/47/1069378247.db2.gz VGDCXCWCAINDEQ-AUUYWEPGSA-N 0 0 453.569 -0.586 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001608454521 1069378369 /nfs/dbraw/zinc/37/83/69/1069378369.db2.gz VGDCXCWCAINDEQ-IFXJQAMLSA-N 0 0 453.569 -0.586 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001608454524 1069378206 /nfs/dbraw/zinc/37/82/06/1069378206.db2.gz VGDCXCWCAINDEQ-KUHUBIRLSA-N 0 0 453.569 -0.586 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001608454527 1069378289 /nfs/dbraw/zinc/37/82/89/1069378289.db2.gz VGDCXCWCAINDEQ-LIRRHRJNSA-N 0 0 453.569 -0.586 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CCN1CCCS1(=O)=O ZINC001608468856 1069378192 /nfs/dbraw/zinc/37/81/92/1069378192.db2.gz HLNVKZLNORXJMY-HNNXBMFYSA-N 0 0 467.596 -0.053 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1CCN1CCCS1(=O)=O ZINC001608468859 1069378796 /nfs/dbraw/zinc/37/87/96/1069378796.db2.gz HLNVKZLNORXJMY-OAHLLOKOSA-N 0 0 467.596 -0.053 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nnc4n3CCC4)C2)n1CCNS(C)(=O)=O ZINC001608473753 1069378717 /nfs/dbraw/zinc/37/87/17/1069378717.db2.gz JKEBKBVJLXZFCU-AWEZNQCLSA-N 0 0 465.584 -0.113 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3nnc4n3CCC4)C2)n1CCNS(C)(=O)=O ZINC001608473770 1069378872 /nfs/dbraw/zinc/37/88/72/1069378872.db2.gz JKEBKBVJLXZFCU-CQSZACIVSA-N 0 0 465.584 -0.113 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ncn(C)n1 ZINC001608480704 1069378876 /nfs/dbraw/zinc/37/88/76/1069378876.db2.gz JVUSUHGHQFASDA-AWEZNQCLSA-N 0 0 451.557 -0.403 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ncn(C)n1 ZINC001608480706 1069378661 /nfs/dbraw/zinc/37/86/61/1069378661.db2.gz JVUSUHGHQFASDA-CQSZACIVSA-N 0 0 451.557 -0.403 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@]1(O)CCOC1 ZINC001608482567 1069378805 /nfs/dbraw/zinc/37/88/05/1069378805.db2.gz UYYQFBNCOIXMNW-BEFAXECRSA-N 0 0 456.569 -0.428 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@]1(O)CCOC1 ZINC001608482569 1069378901 /nfs/dbraw/zinc/37/89/01/1069378901.db2.gz UYYQFBNCOIXMNW-DNVCBOLYSA-N 0 0 456.569 -0.428 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@]1(O)CCOC1 ZINC001608482571 1069378751 /nfs/dbraw/zinc/37/87/51/1069378751.db2.gz UYYQFBNCOIXMNW-HNAYVOBHSA-N 0 0 456.569 -0.428 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@]1(O)CCOC1 ZINC001608482574 1069378856 /nfs/dbraw/zinc/37/88/56/1069378856.db2.gz UYYQFBNCOIXMNW-KXBFYZLASA-N 0 0 456.569 -0.428 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCS(=O)(=O)N(C)C ZINC001608490964 1069378736 /nfs/dbraw/zinc/37/87/36/1069378736.db2.gz ZXHRIYLIWWFCQF-CYBMUJFWSA-N 0 0 450.587 -0.679 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCS(=O)(=O)N(C)C ZINC001608490965 1069378811 /nfs/dbraw/zinc/37/88/11/1069378811.db2.gz ZXHRIYLIWWFCQF-ZDUSSCGKSA-N 0 0 450.587 -0.679 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC(=O)N1CCOCC1 ZINC001608505401 1069378699 /nfs/dbraw/zinc/37/86/99/1069378699.db2.gz LLEGGTAMQANMJF-HNNXBMFYSA-N 0 0 456.569 -0.321 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC(=O)N1CCOCC1 ZINC001608505402 1069378786 /nfs/dbraw/zinc/37/87/86/1069378786.db2.gz LLEGGTAMQANMJF-OAHLLOKOSA-N 0 0 456.569 -0.321 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCS(=O)(=O)N(C)C ZINC001608517617 1069378907 /nfs/dbraw/zinc/37/89/07/1069378907.db2.gz BLNFPOJXPKMHAD-UHFFFAOYSA-N 0 0 455.585 -0.244 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1Cc1nncn1C ZINC001608517638 1069378822 /nfs/dbraw/zinc/37/88/22/1069378822.db2.gz CKWSTSHGCDQNSG-UHFFFAOYSA-N 0 0 458.571 -0.272 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CC(=O)NCC(F)F ZINC001608518018 1069378617 /nfs/dbraw/zinc/37/86/17/1069378617.db2.gz RPMSNMHBNOPXPF-UHFFFAOYSA-N 0 0 484.552 -0.068 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001608523154 1069378766 /nfs/dbraw/zinc/37/87/66/1069378766.db2.gz AKGYTKMVDYSMHM-INIZCTEOSA-N 0 0 457.601 -0.486 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCN1CCOC[C@@H]1C ZINC001608523157 1069378680 /nfs/dbraw/zinc/37/86/80/1069378680.db2.gz ANQZTBMXUWCYIL-INIZCTEOSA-N 0 0 457.601 -0.391 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCN1CCOC[C@H]1C ZINC001608523158 1069378865 /nfs/dbraw/zinc/37/88/65/1069378865.db2.gz ANQZTBMXUWCYIL-MRXNPFEDSA-N 0 0 457.601 -0.391 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC1(O)CCC1 ZINC001608529096 1069379233 /nfs/dbraw/zinc/37/92/33/1069379233.db2.gz AJNLSRIQATUEMG-UHFFFAOYSA-N 0 0 477.566 -0.771 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001608529160 1069379471 /nfs/dbraw/zinc/37/94/71/1069379471.db2.gz BKNGZQHJKPJFMA-JOCHJYFZSA-N 0 0 490.586 -0.072 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001608529161 1069379307 /nfs/dbraw/zinc/37/93/07/1069379307.db2.gz BKNGZQHJKPJFMA-QFIPXVFZSA-N 0 0 490.586 -0.072 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCC1(O)CCC1 ZINC001608529163 1069379614 /nfs/dbraw/zinc/37/96/14/1069379614.db2.gz BOCYKWLYDBNWIJ-UHFFFAOYSA-N 0 0 461.567 -0.008 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1Cc1ccc(O)cc1 ZINC001608529310 1069379591 /nfs/dbraw/zinc/37/95/91/1069379591.db2.gz FNKBBLNRMDOYLF-UHFFFAOYSA-N 0 0 485.545 -0.322 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001608529407 1069379256 /nfs/dbraw/zinc/37/92/56/1069379256.db2.gz HPGZQTIUJDHLJX-UHFFFAOYSA-N 0 0 457.539 -0.347 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC1CCOCC1 ZINC001608529686 1069379582 /nfs/dbraw/zinc/37/95/82/1069379582.db2.gz KYPQFXIBDBAXLP-UHFFFAOYSA-N 0 0 477.566 -0.650 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CCSC1 ZINC001608529688 1069379534 /nfs/dbraw/zinc/37/95/34/1069379534.db2.gz LBJOYZTVKXBMAD-NRFANRHFSA-N 0 0 479.607 -0.445 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CCSC1 ZINC001608529691 1069379549 /nfs/dbraw/zinc/37/95/49/1069379549.db2.gz LBJOYZTVKXBMAD-OAQYLSRUSA-N 0 0 479.607 -0.445 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC[C@H]1CCOC1 ZINC001608529990 1069379602 /nfs/dbraw/zinc/37/96/02/1069379602.db2.gz NORPZLHXWXHVCW-KRWDZBQOSA-N 0 0 477.566 -0.650 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC[C@@H]1CCOC1 ZINC001608529991 1069379384 /nfs/dbraw/zinc/37/93/84/1069379384.db2.gz NORPZLHXWXHVCW-QGZVFWFLSA-N 0 0 477.566 -0.650 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCSCCCO ZINC001608530334 1069379520 /nfs/dbraw/zinc/37/95/20/1069379520.db2.gz RSRHOPKVICFVJM-UHFFFAOYSA-N 0 0 481.623 -0.197 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCCn1cccn1 ZINC001608530633 1069379367 /nfs/dbraw/zinc/37/93/67/1069379367.db2.gz XSQDRDBMOZSYHD-UHFFFAOYSA-N 0 0 487.565 -0.790 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCN1CCSCC1 ZINC001608538216 1069380115 /nfs/dbraw/zinc/38/01/15/1069380115.db2.gz KLSUYMZJPSSCDP-UHFFFAOYSA-N 0 0 494.666 -0.554 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1Cc1ccccc1F ZINC001608538225 1069379989 /nfs/dbraw/zinc/37/99/89/1069379989.db2.gz KPAMJGQOQVAJFT-UHFFFAOYSA-N 0 0 456.486 -0.061 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001608538442 1069380177 /nfs/dbraw/zinc/38/01/77/1069380177.db2.gz ODCNRGXTGPMYRR-UHFFFAOYSA-N 0 0 450.544 -0.531 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001608538607 1069380166 /nfs/dbraw/zinc/38/01/66/1069380166.db2.gz QREAWINHJMIJEO-KRWDZBQOSA-N 0 0 497.622 -0.042 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001608538608 1069380046 /nfs/dbraw/zinc/38/00/46/1069380046.db2.gz QREAWINHJMIJEO-QGZVFWFLSA-N 0 0 497.622 -0.042 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCc1ccn(C)n1 ZINC001608538837 1069380093 /nfs/dbraw/zinc/38/00/93/1069380093.db2.gz VYMUMMDLQQRXEZ-UHFFFAOYSA-N 0 0 459.555 -0.033 20 0 JBADRN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001608539048 1069380022 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20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1CC1(S(C)(=O)=O)CC1 ZINC001611675654 1069400958 /nfs/dbraw/zinc/40/09/58/1069400958.db2.gz MFTTXTSYDASEJI-OWCLPIDISA-N 0 0 490.652 -0.378 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1CC1(S(C)(=O)=O)CC1 ZINC001611675655 1069401108 /nfs/dbraw/zinc/40/11/08/1069401108.db2.gz MFTTXTSYDASEJI-PMPSAXMXSA-N 0 0 490.652 -0.378 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001611675764 1069401011 /nfs/dbraw/zinc/40/10/11/1069401011.db2.gz NVLSSIVMZOFZBO-BFHYXJOUSA-N 0 0 455.585 -0.235 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001611675765 1069401575 /nfs/dbraw/zinc/40/15/75/1069401575.db2.gz NVLSSIVMZOFZBO-IHRRRGAJSA-N 0 0 455.585 -0.235 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCNC(=O)C(C)(C)C ZINC001611675766 1069401551 /nfs/dbraw/zinc/40/15/51/1069401551.db2.gz NVLSSIVMZOFZBO-MELADBBJSA-N 0 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OGGMFJUMUVNWMN-QAETUUGQSA-N 0 0 458.585 -0.539 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CC(C)(C)N1CCOCC1 ZINC001611675998 1069401692 /nfs/dbraw/zinc/40/16/92/1069401692.db2.gz RJSQTDILJLUYCP-ARFHVFGLSA-N 0 0 469.612 -0.286 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC(C)(C)N1CCOCC1 ZINC001611675999 1069401559 /nfs/dbraw/zinc/40/15/59/1069401559.db2.gz RJSQTDILJLUYCP-HRCADAONSA-N 0 0 469.612 -0.286 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC(C)(C)N1CCOCC1 ZINC001611676000 1069401598 /nfs/dbraw/zinc/40/15/98/1069401598.db2.gz RJSQTDILJLUYCP-JYJNAYRXSA-N 0 0 469.612 -0.286 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CC(C)(C)N1CCOCC1 ZINC001611676001 1069401733 /nfs/dbraw/zinc/40/17/33/1069401733.db2.gz RJSQTDILJLUYCP-XHSDSOJGSA-N 0 0 469.612 -0.286 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CCCc1cnn(C)n1 ZINC001611676024 1069401710 /nfs/dbraw/zinc/40/17/10/1069401710.db2.gz RPXNVQUQAYNQDB-GUTXKFCHSA-N 0 0 451.557 -0.636 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CCCc1cnn(C)n1 ZINC001611676025 1069402485 /nfs/dbraw/zinc/40/24/85/1069402485.db2.gz RPXNVQUQAYNQDB-GZBFAFLISA-N 0 0 451.557 -0.636 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCCc1cnn(C)n1 ZINC001611676026 1069402396 /nfs/dbraw/zinc/40/23/96/1069402396.db2.gz RPXNVQUQAYNQDB-KCQAQPDRSA-N 0 0 451.557 -0.636 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCCc1cnn(C)n1 ZINC001611676027 1069402286 /nfs/dbraw/zinc/40/22/86/1069402286.db2.gz RPXNVQUQAYNQDB-YDHLFZDLSA-N 0 0 451.557 -0.636 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1Cc1ncnn1C(C)(C)C ZINC001611676120 1069402268 /nfs/dbraw/zinc/40/22/68/1069402268.db2.gz SSZIQRCQLUBEHT-BFHYXJOUSA-N 0 0 465.584 -0.002 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1Cc1ncnn1C(C)(C)C ZINC001611676121 1069402403 /nfs/dbraw/zinc/40/24/03/1069402403.db2.gz 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C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCCC(=O)NC1CC1 ZINC001611691757 1069407415 /nfs/dbraw/zinc/40/74/15/1069407415.db2.gz DUWHPTLELKTSBH-DJJJIMSYSA-N 0 0 453.569 -0.337 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCCC(=O)NC1CC1 ZINC001611691758 1069407391 /nfs/dbraw/zinc/40/73/91/1069407391.db2.gz DUWHPTLELKTSBH-ORAYPTAESA-N 0 0 453.569 -0.337 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCCC(=O)NC1CC1 ZINC001611691759 1069407439 /nfs/dbraw/zinc/40/74/39/1069407439.db2.gz DUWHPTLELKTSBH-YJYMSZOUSA-N 0 0 453.569 -0.337 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@]1(C)CN(C)C1=O ZINC001611693644 1069408054 /nfs/dbraw/zinc/40/80/54/1069408054.db2.gz BOIKEPLLQYLSNW-BLVKFPJESA-N 0 0 464.552 -0.977 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@]1(C)CN(C)C1=O ZINC001611693645 1069408122 /nfs/dbraw/zinc/40/81/22/1069408122.db2.gz BOIKEPLLQYLSNW-BUXKBTBVSA-N 0 0 464.552 -0.977 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@@]1(C)CN(C)C1=O ZINC001611693646 1069408074 /nfs/dbraw/zinc/40/80/74/1069408074.db2.gz BOIKEPLLQYLSNW-CWTRNNRKSA-N 0 0 464.552 -0.977 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@@]1(C)CN(C)C1=O ZINC001611693647 1069408002 /nfs/dbraw/zinc/40/80/02/1069408002.db2.gz BOIKEPLLQYLSNW-HXPMCKFVSA-N 0 0 464.552 -0.977 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC1([S@@](C)=O)CC1 ZINC001611693652 1069408110 /nfs/dbraw/zinc/40/81/10/1069408110.db2.gz BQIKYDQXUNQBBR-FCJAZMSBSA-N 0 0 469.593 -0.544 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC1([S@](C)=O)CC1 ZINC001611693653 1069407968 /nfs/dbraw/zinc/40/79/68/1069407968.db2.gz BQIKYDQXUNQBBR-GTMAHKLRSA-N 0 0 469.593 -0.544 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC1([S@@](C)=O)CC1 ZINC001611693654 1069408007 /nfs/dbraw/zinc/40/80/07/1069408007.db2.gz BQIKYDQXUNQBBR-IDPPAEMMSA-N 0 0 469.593 -0.544 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC1([S@](C)=O)CC1 ZINC001611693655 1069408060 /nfs/dbraw/zinc/40/80/60/1069408060.db2.gz BQIKYDQXUNQBBR-SSUCQYSQSA-N 0 0 469.593 -0.544 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCCNS(C)(=O)=O ZINC001611694302 1069408101 /nfs/dbraw/zinc/40/81/01/1069408101.db2.gz LZMMVJICHSQFNZ-KKUMJFAQSA-N 0 0 464.614 -0.167 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3OCCC[C@@H]3C2)n1CCCNS(C)(=O)=O ZINC001611694303 1069408610 /nfs/dbraw/zinc/40/86/10/1069408610.db2.gz LZMMVJICHSQFNZ-RRFJBIMHSA-N 0 0 464.614 -0.167 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3OCCC[C@H]3C2)n1CCCNS(C)(=O)=O ZINC001611694304 1069408585 /nfs/dbraw/zinc/40/85/85/1069408585.db2.gz LZMMVJICHSQFNZ-SOUVJXGZSA-N 0 0 464.614 -0.167 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCCNS(C)(=O)=O ZINC001611694305 1069408743 /nfs/dbraw/zinc/40/87/43/1069408743.db2.gz LZMMVJICHSQFNZ-ZNMIVQPWSA-N 0 0 464.614 -0.167 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC=C(Br)C2)n1CCNS(C)(=O)=O ZINC001611694486 1069408534 /nfs/dbraw/zinc/40/85/34/1069408534.db2.gz OKIKNSMACLWMTH-JTQLQIEISA-N 0 0 471.403 -0.074 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC=C(Br)C2)n1CCNS(C)(=O)=O ZINC001611694487 1069408678 /nfs/dbraw/zinc/40/86/78/1069408678.db2.gz OKIKNSMACLWMTH-SNVBAGLBSA-N 0 0 471.403 -0.074 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC(C)(C)N1CCOCC1 ZINC001611694492 1069408564 /nfs/dbraw/zinc/40/85/64/1069408564.db2.gz ONVIYQJJQOMATK-CABCVRRESA-N 0 0 457.601 -0.299 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC(C)(C)N1CCOCC1 ZINC001611694493 1069408660 /nfs/dbraw/zinc/40/86/60/1069408660.db2.gz ONVIYQJJQOMATK-GJZGRUSLSA-N 0 0 457.601 -0.299 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC(C)(C)N1CCOCC1 ZINC001611694494 1069408690 /nfs/dbraw/zinc/40/86/90/1069408690.db2.gz ONVIYQJJQOMATK-HUUCEWRRSA-N 0 0 457.601 -0.299 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC(C)(C)N1CCOCC1 ZINC001611694495 1069408494 /nfs/dbraw/zinc/40/84/94/1069408494.db2.gz ONVIYQJJQOMATK-LSDHHAIUSA-N 0 0 457.601 -0.299 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CCCC(=O)N(C)C ZINC001611694732 1069408726 /nfs/dbraw/zinc/40/87/26/1069408726.db2.gz RIXAVAWIRXKYON-CYBMUJFWSA-N 0 0 466.568 -0.587 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CCCC(=O)N(C)C ZINC001611694733 1069408618 /nfs/dbraw/zinc/40/86/18/1069408618.db2.gz RIXAVAWIRXKYON-ZDUSSCGKSA-N 0 0 466.568 -0.587 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1CCn1cncn1 ZINC001611694910 1069408596 /nfs/dbraw/zinc/40/85/96/1069408596.db2.gz UTJOFMGGOGVJME-GDBMZVCRSA-N 0 0 465.584 -0.077 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1CCn1cncn1 ZINC001611694911 1069408722 /nfs/dbraw/zinc/40/87/22/1069408722.db2.gz UTJOFMGGOGVJME-GOEBONIOSA-N 0 0 465.584 -0.077 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1CCn1cncn1 ZINC001611694912 1069408648 /nfs/dbraw/zinc/40/86/48/1069408648.db2.gz UTJOFMGGOGVJME-HOCLYGCPSA-N 0 0 465.584 -0.077 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1CCn1cncn1 ZINC001611694913 1069408549 /nfs/dbraw/zinc/40/85/49/1069408549.db2.gz UTJOFMGGOGVJME-ZBFHGGJFSA-N 0 0 465.584 -0.077 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC[C@H]1COCCO1 ZINC001611696138 1069408636 /nfs/dbraw/zinc/40/86/36/1069408636.db2.gz CMWPXNGLJWZCJC-KKUMJFAQSA-N 0 0 465.598 -0.293 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC[C@@H]1COCCO1 ZINC001611696139 1069408735 /nfs/dbraw/zinc/40/87/35/1069408735.db2.gz CMWPXNGLJWZCJC-RRFJBIMHSA-N 0 0 465.598 -0.293 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC[C@H]1COCCO1 ZINC001611696140 1069408698 /nfs/dbraw/zinc/40/86/98/1069408698.db2.gz CMWPXNGLJWZCJC-SOUVJXGZSA-N 0 0 465.598 -0.293 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC[C@@H]1COCCO1 ZINC001611696141 1069408524 /nfs/dbraw/zinc/40/85/24/1069408524.db2.gz CMWPXNGLJWZCJC-ZNMIVQPWSA-N 0 0 465.598 -0.293 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCCO1 ZINC001611696432 1069408709 /nfs/dbraw/zinc/40/87/09/1069408709.db2.gz HNBUSEQJJMCUBH-QLFBSQMISA-N 0 0 464.614 -0.167 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCCO1 ZINC001611696433 1069408966 /nfs/dbraw/zinc/40/89/66/1069408966.db2.gz HNBUSEQJJMCUBH-RBSFLKMASA-N 0 0 464.614 -0.167 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCCO1 ZINC001611696434 1069409046 /nfs/dbraw/zinc/40/90/46/1069409046.db2.gz HNBUSEQJJMCUBH-RRFJBIMHSA-N 0 0 464.614 -0.167 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCCO1 ZINC001611696435 1069409145 /nfs/dbraw/zinc/40/91/45/1069409145.db2.gz HNBUSEQJJMCUBH-SOUVJXGZSA-N 0 0 464.614 -0.167 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCS(=O)(=O)N(C)C ZINC001611696552 1069409115 /nfs/dbraw/zinc/40/91/15/1069409115.db2.gz JALSYRSMNYVLAU-CABCVRRESA-N 0 0 488.640 -0.103 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCS(=O)(=O)N(C)C ZINC001611696553 1069408898 /nfs/dbraw/zinc/40/88/98/1069408898.db2.gz JALSYRSMNYVLAU-GJZGRUSLSA-N 0 0 488.640 -0.103 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCS(=O)(=O)N(C)C ZINC001611696554 1069408925 /nfs/dbraw/zinc/40/89/25/1069408925.db2.gz JALSYRSMNYVLAU-HUUCEWRRSA-N 0 0 488.640 -0.103 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCS(=O)(=O)N(C)C ZINC001611696555 1069409085 /nfs/dbraw/zinc/40/90/85/1069409085.db2.gz JALSYRSMNYVLAU-LSDHHAIUSA-N 0 0 488.640 -0.103 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1Cc1ncn(C)n1 ZINC001611696740 1069409029 /nfs/dbraw/zinc/40/90/29/1069409029.db2.gz LEKDTEXNJRTBQD-KBPBESRZSA-N 0 0 451.557 -0.344 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1Cc1ncn(C)n1 ZINC001611696741 1069409133 /nfs/dbraw/zinc/40/91/33/1069409133.db2.gz LEKDTEXNJRTBQD-KGLIPLIRSA-N 0 0 451.557 -0.344 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1Cc1ncn(C)n1 ZINC001611696742 1069409073 /nfs/dbraw/zinc/40/90/73/1069409073.db2.gz LEKDTEXNJRTBQD-UONOGXRCSA-N 0 0 451.557 -0.344 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1Cc1ncn(C)n1 ZINC001611696743 1069408953 /nfs/dbraw/zinc/40/89/53/1069408953.db2.gz LEKDTEXNJRTBQD-ZIAGYGMSSA-N 0 0 451.557 -0.344 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@@H]1COCCO1 ZINC001611696936 1069408935 /nfs/dbraw/zinc/40/89/35/1069408935.db2.gz NUMSQMPMVFDGON-ARFHVFGLSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@@H]1COCCO1 ZINC001611696937 1069409100 /nfs/dbraw/zinc/40/91/00/1069409100.db2.gz NUMSQMPMVFDGON-HRCADAONSA-N 0 0 456.569 -0.105 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CC(=O)NCC(F)F ZINC001611697332 1069408986 /nfs/dbraw/zinc/40/89/86/1069408986.db2.gz SZQMPZFGCAEGRJ-CHWSQXEVSA-N 0 0 477.538 -0.139 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CC(=O)NCC(F)F ZINC001611697333 1069409181 /nfs/dbraw/zinc/40/91/81/1069409181.db2.gz SZQMPZFGCAEGRJ-OLZOCXBDSA-N 0 0 477.538 -0.139 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CC(=O)NCC(F)F ZINC001611697334 1069409164 /nfs/dbraw/zinc/40/91/64/1069409164.db2.gz SZQMPZFGCAEGRJ-QWHCGFSZSA-N 0 0 477.538 -0.139 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CC(=O)NCC(F)F ZINC001611697335 1069409007 /nfs/dbraw/zinc/40/90/07/1069409007.db2.gz SZQMPZFGCAEGRJ-STQMWFEESA-N 0 0 477.538 -0.139 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H]1CCOC1 ZINC001611697422 1069409841 /nfs/dbraw/zinc/40/98/41/1069409841.db2.gz VBUCXPJMTRDIIL-ARFHVFGLSA-N 0 0 476.625 -0.071 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H]1CCOC1 ZINC001611697423 1069409731 /nfs/dbraw/zinc/40/97/31/1069409731.db2.gz VBUCXPJMTRDIIL-HRCADAONSA-N 0 0 476.625 -0.071 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H]1CCOC1 ZINC001611697424 1069409678 /nfs/dbraw/zinc/40/96/78/1069409678.db2.gz VBUCXPJMTRDIIL-JYJNAYRXSA-N 0 0 476.625 -0.071 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@H]1CCOC1 ZINC001611697425 1069409891 /nfs/dbraw/zinc/40/98/91/1069409891.db2.gz VBUCXPJMTRDIIL-XHSDSOJGSA-N 0 0 476.625 -0.071 20 0 JBADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611700747 1069409782 /nfs/dbraw/zinc/40/97/82/1069409782.db2.gz IYIVOTKKYKVPJH-BHYGNILZSA-N 0 0 470.596 -0.123 20 0 JBADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611700748 1069409850 /nfs/dbraw/zinc/40/98/50/1069409850.db2.gz IYIVOTKKYKVPJH-HYVNUMGLSA-N 0 0 470.596 -0.123 20 0 JBADRN 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Cc1ccc([C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)N2CCOCC2)o1 ZINC001611988532 1069431003 /nfs/dbraw/zinc/43/10/03/1069431003.db2.gz DIVKOPRFSOTFKX-HZPDHXFCSA-N 0 0 481.579 -0.201 20 0 JBADRN Cc1ccc([C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)N2CCOCC2)o1 ZINC001611988533 1069430940 /nfs/dbraw/zinc/43/09/40/1069430940.db2.gz DIVKOPRFSOTFKX-JKSUJKDBSA-N 0 0 481.579 -0.201 20 0 JBADRN Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2CCS(C)(=O)=O)o1 ZINC001612040945 1069430880 /nfs/dbraw/zinc/43/08/80/1069430880.db2.gz ZJBMAVDPNKSDRO-UHFFFAOYSA-N 0 0 450.521 -0.182 20 0 JBADRN Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCCNS(C)(=O)=O)o1 ZINC001612043051 1069431467 /nfs/dbraw/zinc/43/14/67/1069431467.db2.gz NUNUOIRJNSSWJS-UHFFFAOYSA-N 0 0 453.569 -0.004 20 0 JBADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)c(=O)n1C ZINC001612068485 1069431481 /nfs/dbraw/zinc/43/14/81/1069431481.db2.gz INKDQDBCGHHUGO-UHFFFAOYSA-N 0 0 458.567 -0.318 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@@H]2C)c(=O)n1C ZINC001612071556 1069431447 /nfs/dbraw/zinc/43/14/47/1069431447.db2.gz NCZSLYVRLJLKOK-KBPBESRZSA-N 0 0 451.553 -0.389 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@@H]2C)c(=O)n1C ZINC001612071557 1069431325 /nfs/dbraw/zinc/43/13/25/1069431325.db2.gz NCZSLYVRLJLKOK-KGLIPLIRSA-N 0 0 451.553 -0.389 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@H]2C)c(=O)n1C ZINC001612071558 1069431535 /nfs/dbraw/zinc/43/15/35/1069431535.db2.gz NCZSLYVRLJLKOK-UONOGXRCSA-N 0 0 451.553 -0.389 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@H]2C)c(=O)n1C ZINC001612071559 1069431396 /nfs/dbraw/zinc/43/13/96/1069431396.db2.gz NCZSLYVRLJLKOK-ZIAGYGMSSA-N 0 0 451.553 -0.389 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(=O)N(C)C)CC2)c(=O)n1C ZINC001612071687 1069431530 /nfs/dbraw/zinc/43/15/30/1069431530.db2.gz OJQPXBGHSKKTIL-INIZCTEOSA-N 0 0 494.622 -0.846 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(=O)N(C)C)CC2)c(=O)n1C ZINC001612071688 1069431343 /nfs/dbraw/zinc/43/13/43/1069431343.db2.gz OJQPXBGHSKKTIL-MRXNPFEDSA-N 0 0 494.622 -0.846 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCC(=O)N3)C2)c(=O)n1C ZINC001612071784 1069431453 /nfs/dbraw/zinc/43/14/53/1069431453.db2.gz PQNAOYOCNFBIFU-JLTOFOAXSA-N 0 0 463.564 -0.197 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCC(=O)N3)C2)c(=O)n1C ZINC001612071785 1069431356 /nfs/dbraw/zinc/43/13/56/1069431356.db2.gz PQNAOYOCNFBIFU-VBKZILBWSA-N 0 0 463.564 -0.197 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCC(=O)N3)C2)c(=O)n1C ZINC001612071786 1069431402 /nfs/dbraw/zinc/43/14/02/1069431402.db2.gz PQNAOYOCNFBIFU-VLIAUNLRSA-N 0 0 463.564 -0.197 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCC(=O)N3)C2)c(=O)n1C ZINC001612071787 1069431516 /nfs/dbraw/zinc/43/15/16/1069431516.db2.gz PQNAOYOCNFBIFU-XOBRGWDASA-N 0 0 463.564 -0.197 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)c(=O)n1C ZINC001612071923 1069431554 /nfs/dbraw/zinc/43/15/54/1069431554.db2.gz QLYBIYQLFJTKRD-DOTOQJQBSA-N 0 0 465.580 -0.535 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)c(=O)n1C ZINC001612071924 1069431498 /nfs/dbraw/zinc/43/14/98/1069431498.db2.gz QLYBIYQLFJTKRD-NVXWUHKLSA-N 0 0 465.580 -0.535 20 0 JBADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)c(=O)n1C ZINC001612071925 1069431414 /nfs/dbraw/zinc/43/14/14/1069431414.db2.gz QLYBIYQLFJTKRD-RDJZCZTQSA-N 0 0 465.580 -0.535 20 0 JBADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)c(=O)n1C ZINC001612071926 1069431360 /nfs/dbraw/zinc/43/13/60/1069431360.db2.gz QLYBIYQLFJTKRD-WBVHZDCISA-N 0 0 465.580 -0.535 20 0 JBADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)c(=O)n1C ZINC001612077460 1069431439 /nfs/dbraw/zinc/43/14/39/1069431439.db2.gz WCXZILMOOFKKFT-UHFFFAOYSA-N 0 0 479.545 -0.036 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(=O)n1C ZINC001612077912 1069431546 /nfs/dbraw/zinc/43/15/46/1069431546.db2.gz ITIPXCSYOXTRHN-GOEBONIOSA-N 0 0 463.564 -0.245 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(=O)n1C ZINC001612077913 1069431382 /nfs/dbraw/zinc/43/13/82/1069431382.db2.gz ITIPXCSYOXTRHN-HOCLYGCPSA-N 0 0 463.564 -0.245 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(NS(C)(=O)=O)CC2)c(=O)n1C ZINC001612077971 1069431523 /nfs/dbraw/zinc/43/15/23/1069431523.db2.gz KKLFVJFARHQWND-INIZCTEOSA-N 0 0 463.564 -0.197 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(NS(C)(=O)=O)CC2)c(=O)n1C ZINC001612077972 1069432161 /nfs/dbraw/zinc/43/21/61/1069432161.db2.gz KKLFVJFARHQWND-MRXNPFEDSA-N 0 0 463.564 -0.197 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCNS(C)(=O)=O)cn1 ZINC001612080460 1069432156 /nfs/dbraw/zinc/43/21/56/1069432156.db2.gz PSUIXJZRZJCRFV-INIZCTEOSA-N 0 0 487.608 -0.652 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCNS(C)(=O)=O)cn1 ZINC001612080461 1069432066 /nfs/dbraw/zinc/43/20/66/1069432066.db2.gz PSUIXJZRZJCRFV-MRXNPFEDSA-N 0 0 487.608 -0.652 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)cn1 ZINC001612080755 1069432136 /nfs/dbraw/zinc/43/21/36/1069432136.db2.gz VKLYWCGCNLZQBL-INIZCTEOSA-N 0 0 454.578 -0.069 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)cn1 ZINC001612080756 1069432172 /nfs/dbraw/zinc/43/21/72/1069432172.db2.gz VKLYWCGCNLZQBL-MRXNPFEDSA-N 0 0 454.578 -0.069 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@@H]2C)c(=O)n1C ZINC001612080804 1069432028 /nfs/dbraw/zinc/43/20/28/1069432028.db2.gz VVHQNTKWZJIMRK-DOTOQJQBSA-N 0 0 493.590 -0.667 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@H]2C)c(=O)n1C ZINC001612080810 1069432057 /nfs/dbraw/zinc/43/20/57/1069432057.db2.gz VVHQNTKWZJIMRK-NVXWUHKLSA-N 0 0 493.590 -0.667 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@@H]2C)c(=O)n1C ZINC001612080811 1069432165 /nfs/dbraw/zinc/43/21/65/1069432165.db2.gz VVHQNTKWZJIMRK-RDJZCZTQSA-N 0 0 493.590 -0.667 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)[C@H]2C)c(=O)n1C ZINC001612080813 1069432003 /nfs/dbraw/zinc/43/20/03/1069432003.db2.gz VVHQNTKWZJIMRK-WBVHZDCISA-N 0 0 493.590 -0.667 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(=O)N2CCOCC2)cn1 ZINC001612080868 1069432085 /nfs/dbraw/zinc/43/20/85/1069432085.db2.gz WOMYKFDOGRCKMC-GOSISDBHSA-N 0 0 493.590 -0.342 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(=O)N2CCOCC2)cn1 ZINC001612080869 1069431993 /nfs/dbraw/zinc/43/19/93/1069431993.db2.gz WOMYKFDOGRCKMC-SFHVURJKSA-N 0 0 493.590 -0.342 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@@H](C)C2)c(=O)n1C ZINC001612081000 1069432049 /nfs/dbraw/zinc/43/20/49/1069432049.db2.gz YINOFRNKNQJMCY-DOTOQJQBSA-N 0 0 493.590 -0.667 20 0 JBADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@H](C)C2)c(=O)n1C ZINC001612081001 1069432179 /nfs/dbraw/zinc/43/21/79/1069432179.db2.gz YINOFRNKNQJMCY-NVXWUHKLSA-N 0 0 493.590 -0.667 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@@H](C)C2)c(=O)n1C ZINC001612081002 1069432146 /nfs/dbraw/zinc/43/21/46/1069432146.db2.gz YINOFRNKNQJMCY-RDJZCZTQSA-N 0 0 493.590 -0.667 20 0 JBADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@H](C)C2)c(=O)n1C ZINC001612081003 1069431979 /nfs/dbraw/zinc/43/19/79/1069431979.db2.gz YINOFRNKNQJMCY-WBVHZDCISA-N 0 0 493.590 -0.667 20 0 JBADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(=O)n1C ZINC001612085989 1069432012 /nfs/dbraw/zinc/43/20/12/1069432012.db2.gz WLKJSUMATIVQMH-INIZCTEOSA-N 0 0 477.591 -0.074 20 0 JBADRN Cc1ccc(NC(=O)c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCC(=O)N(C)C)cc1C ZINC001612108867 1069432124 /nfs/dbraw/zinc/43/21/24/1069432124.db2.gz VTDRWMZEHOZFGP-KRWDZBQOSA-N 0 0 482.545 -0.227 20 0 JBADRN Cc1ccc(NC(=O)c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCC(=O)N(C)C)cc1C ZINC001612108868 1069432074 /nfs/dbraw/zinc/43/20/74/1069432074.db2.gz VTDRWMZEHOZFGP-QGZVFWFLSA-N 0 0 482.545 -0.227 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001612144001 1069432037 /nfs/dbraw/zinc/43/20/37/1069432037.db2.gz SRCTZSURDNVCOV-FQEVSTJZSA-N 0 0 499.615 -0.203 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001612144002 1069432863 /nfs/dbraw/zinc/43/28/63/1069432863.db2.gz SRCTZSURDNVCOV-HXUWFJFHSA-N 0 0 499.615 -0.203 20 0 JBADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCNS(C)(=O)=O)cc1 ZINC001612144308 1069432841 /nfs/dbraw/zinc/43/28/41/1069432841.db2.gz DMNQQGWAVYHBJQ-UHFFFAOYSA-N 0 0 472.593 -0.204 20 0 JBADRN Cc1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001612156439 1069432619 /nfs/dbraw/zinc/43/26/19/1069432619.db2.gz BIWFHRMCTQCXPG-GOSISDBHSA-N 0 0 457.578 -0.141 20 0 JBADRN Cc1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001612156440 1069432660 /nfs/dbraw/zinc/43/26/60/1069432660.db2.gz BIWFHRMCTQCXPG-SFHVURJKSA-N 0 0 457.578 -0.141 20 0 JBADRN Cc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CC2(O)CCS(=O)(=O)CC2)n1 ZINC001612183361 1069432769 /nfs/dbraw/zinc/43/27/69/1069432769.db2.gz UJOGHAFIDZYTMX-UHFFFAOYSA-N 0 0 478.575 -0.117 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CC(=O)N2CCOCC2)n1 ZINC001612208087 1069432857 /nfs/dbraw/zinc/43/28/57/1069432857.db2.gz AGIFLRDSILAKAW-UHFFFAOYSA-N 0 0 484.561 -0.319 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)n2CCNC(=O)C(C)C)n1 ZINC001612208149 1069432671 /nfs/dbraw/zinc/43/26/71/1069432671.db2.gz DBNVKCRIVMGRSZ-UHFFFAOYSA-N 0 0 498.588 -0.072 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN(C(=O)N4CCOCC4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001612208281 1069432572 /nfs/dbraw/zinc/43/25/72/1069432572.db2.gz JGXHYYLYYXFPJB-UHFFFAOYSA-N 0 0 478.579 -0.228 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN([C@@H](C)C(=O)NC4CC4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001612209774 1069432642 /nfs/dbraw/zinc/43/26/42/1069432642.db2.gz SBTWYUTVAYPEJX-INIZCTEOSA-N 0 0 476.607 -0.013 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN([C@H](C)C(=O)NC4CC4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001612209775 1069432782 /nfs/dbraw/zinc/43/27/82/1069432782.db2.gz SBTWYUTVAYPEJX-MRXNPFEDSA-N 0 0 476.607 -0.013 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CC2(O)CCS(=O)(=O)CC2)n1 ZINC001612210314 1069432553 /nfs/dbraw/zinc/43/25/53/1069432553.db2.gz MVENUPHBNIFRIV-UHFFFAOYSA-N 0 0 491.618 -0.202 20 0 JBADRN Cc1cccc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001612210407 1069432826 /nfs/dbraw/zinc/43/28/26/1069432826.db2.gz PFYUDGMICBLLPM-UHFFFAOYSA-N 0 0 476.607 -0.058 20 0 JBADRN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 ZINC001612222223 1069432589 /nfs/dbraw/zinc/43/25/89/1069432589.db2.gz ASMDANWAKSOXML-UHFFFAOYSA-N 0 0 498.588 -0.130 20 0 JBADRN 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499.615 -0.030 20 0 JBADRN C[C@H]1COCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001613001633 1069449670 /nfs/dbraw/zinc/44/96/70/1069449670.db2.gz KHLDKXFJIRIKRN-MGPUTAFESA-N 0 0 499.615 -0.030 20 0 JBADRN C[C@@H]1COCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001613001635 1069449556 /nfs/dbraw/zinc/44/95/56/1069449556.db2.gz KHLDKXFJIRIKRN-QRWLVFNGSA-N 0 0 499.615 -0.030 20 0 JBADRN C[C@H]1COCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001613001636 1069449375 /nfs/dbraw/zinc/44/93/75/1069449375.db2.gz KHLDKXFJIRIKRN-YWZLYKJASA-N 0 0 499.615 -0.030 20 0 JBADRN C[C@@H]1COCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001613006328 1069449655 /nfs/dbraw/zinc/44/96/55/1069449655.db2.gz JNKUZRKMVPAMLD-CABCVRRESA-N 0 0 479.650 -0.216 20 0 JBADRN C[C@H]1COCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001613006329 1069449405 /nfs/dbraw/zinc/44/94/05/1069449405.db2.gz JNKUZRKMVPAMLD-GJZGRUSLSA-N 0 0 479.650 -0.216 20 0 JBADRN C[C@@H]1COCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001613006330 1069449423 /nfs/dbraw/zinc/44/94/23/1069449423.db2.gz JNKUZRKMVPAMLD-HUUCEWRRSA-N 0 0 479.650 -0.216 20 0 JBADRN C[C@H]1COCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001613006331 1069449626 /nfs/dbraw/zinc/44/96/26/1069449626.db2.gz JNKUZRKMVPAMLD-LSDHHAIUSA-N 0 0 479.650 -0.216 20 0 JBADRN C[C@@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613010042 1069449587 /nfs/dbraw/zinc/44/95/87/1069449587.db2.gz HOTUBGYCQKMYOB-GOSISDBHSA-N 0 0 462.599 -0.555 20 0 JBADRN C[C@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613010043 1069449478 /nfs/dbraw/zinc/44/94/78/1069449478.db2.gz HOTUBGYCQKMYOB-SFHVURJKSA-N 0 0 462.599 -0.555 20 0 JBADRN C[C@@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010056 1069449633 /nfs/dbraw/zinc/44/96/33/1069449633.db2.gz GOFNIMJXPMTXST-GDBMZVCRSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010057 1069449437 /nfs/dbraw/zinc/44/94/37/1069449437.db2.gz GOFNIMJXPMTXST-GOEBONIOSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010058 1069449674 /nfs/dbraw/zinc/44/96/74/1069449674.db2.gz GOFNIMJXPMTXST-HOCLYGCPSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010059 1069449563 /nfs/dbraw/zinc/44/95/63/1069449563.db2.gz GOFNIMJXPMTXST-ZBFHGGJFSA-N 0 0 455.585 -0.532 20 0 JBADRN C[C@@H]1COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613012044 1069449493 /nfs/dbraw/zinc/44/94/93/1069449493.db2.gz ACMHDGYYFIXLQJ-MSOLQXFVSA-N 0 0 483.639 -0.889 20 0 JBADRN C[C@@H]1COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613012045 1069449591 /nfs/dbraw/zinc/44/95/91/1069449591.db2.gz ACMHDGYYFIXLQJ-QZTJIDSGSA-N 0 0 483.639 -0.889 20 0 JBADRN C[C@H]1COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613012046 1069449662 /nfs/dbraw/zinc/44/96/62/1069449662.db2.gz ACMHDGYYFIXLQJ-ROUUACIJSA-N 0 0 483.639 -0.889 20 0 JBADRN C[C@H]1COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613012047 1069449582 /nfs/dbraw/zinc/44/95/82/1069449582.db2.gz ACMHDGYYFIXLQJ-ZWKOTPCHSA-N 0 0 483.639 -0.889 20 0 JBADRN C[C@@H]1COCCN1CCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C ZINC001613012446 1069449519 /nfs/dbraw/zinc/44/95/19/1069449519.db2.gz IHVDFHBZIHAHCO-GOSISDBHSA-N 0 0 477.610 -0.196 20 0 JBADRN C[C@H]1COCCN1CCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C ZINC001613012447 1069449793 /nfs/dbraw/zinc/44/97/93/1069449793.db2.gz IHVDFHBZIHAHCO-SFHVURJKSA-N 0 0 477.610 -0.196 20 0 JBADRN C[C@@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 ZINC001613012848 1069449842 /nfs/dbraw/zinc/44/98/42/1069449842.db2.gz QKXVMOCDOQMGSP-FGTMMUONSA-N 0 0 472.612 -0.196 20 0 JBADRN C[C@@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 ZINC001613012849 1069450252 /nfs/dbraw/zinc/45/02/52/1069450252.db2.gz QKXVMOCDOQMGSP-KURKYZTESA-N 0 0 472.612 -0.196 20 0 JBADRN C[C@@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 ZINC001613012850 1069450217 /nfs/dbraw/zinc/45/02/17/1069450217.db2.gz QKXVMOCDOQMGSP-KZNAEPCWSA-N 0 0 472.612 -0.196 20 0 JBADRN C[C@@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 ZINC001613012851 1069449934 /nfs/dbraw/zinc/44/99/34/1069449934.db2.gz QKXVMOCDOQMGSP-SQNIBIBYSA-N 0 0 472.612 -0.196 20 0 JBADRN C[C@@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613012856 1069450017 /nfs/dbraw/zinc/45/00/17/1069450017.db2.gz QNHLLVOUDKSCQP-GOSISDBHSA-N 0 0 462.599 -0.669 20 0 JBADRN C[C@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613012857 1069450182 /nfs/dbraw/zinc/45/01/82/1069450182.db2.gz QNHLLVOUDKSCQP-SFHVURJKSA-N 0 0 462.599 -0.669 20 0 JBADRN C[C@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013442 1069450148 /nfs/dbraw/zinc/45/01/48/1069450148.db2.gz WKIWCPUMFLYLEG-DLBZAZTESA-N 0 0 472.612 -0.053 20 0 JBADRN C[C@@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013443 1069450049 /nfs/dbraw/zinc/45/00/49/1069450049.db2.gz WKIWCPUMFLYLEG-IAGOWNOFSA-N 0 0 472.612 -0.053 20 0 JBADRN C[C@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013444 1069449895 /nfs/dbraw/zinc/44/98/95/1069449895.db2.gz WKIWCPUMFLYLEG-IRXDYDNUSA-N 0 0 472.612 -0.053 20 0 JBADRN C[C@@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013445 1069450277 /nfs/dbraw/zinc/45/02/77/1069450277.db2.gz WKIWCPUMFLYLEG-SJORKVTESA-N 0 0 472.612 -0.053 20 0 JBADRN C[C@@H]1CSCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(C)(=O)=O ZINC001613016075 1069450126 /nfs/dbraw/zinc/45/01/26/1069450126.db2.gz DEIGBGFXJHRVPM-CHWSQXEVSA-N 0 0 453.612 -0.403 20 0 JBADRN C[C@@H]1CSCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(C)(=O)=O ZINC001613016076 1069450175 /nfs/dbraw/zinc/45/01/75/1069450175.db2.gz DEIGBGFXJHRVPM-OLZOCXBDSA-N 0 0 453.612 -0.403 20 0 JBADRN C[C@H]1CSCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(C)(=O)=O ZINC001613016077 1069450000 /nfs/dbraw/zinc/45/00/00/1069450000.db2.gz DEIGBGFXJHRVPM-QWHCGFSZSA-N 0 0 453.612 -0.403 20 0 JBADRN C[C@H]1CSCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(C)(=O)=O ZINC001613016078 1069450136 /nfs/dbraw/zinc/45/01/36/1069450136.db2.gz DEIGBGFXJHRVPM-STQMWFEESA-N 0 0 453.612 -0.403 20 0 JBADRN C[C@@H]1CSCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001613017787 1069450240 /nfs/dbraw/zinc/45/02/40/1069450240.db2.gz XJLRIZYZGBGHKH-HZSPNIEDSA-N 0 0 487.608 -0.459 20 0 JBADRN C[C@H]1CSCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001613017789 1069450112 /nfs/dbraw/zinc/45/01/12/1069450112.db2.gz XJLRIZYZGBGHKH-IHRRRGAJSA-N 0 0 487.608 -0.459 20 0 JBADRN C[C@H]1CSCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001613017790 1069450102 /nfs/dbraw/zinc/45/01/02/1069450102.db2.gz XJLRIZYZGBGHKH-MELADBBJSA-N 0 0 487.608 -0.459 20 0 JBADRN C[C@@H]1CSCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001613017792 1069450083 /nfs/dbraw/zinc/45/00/83/1069450083.db2.gz XJLRIZYZGBGHKH-RDBSUJKOSA-N 0 0 487.608 -0.459 20 0 JBADRN C[C@@H]1N(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1(C)C ZINC001613023273 1069450204 /nfs/dbraw/zinc/45/02/04/1069450204.db2.gz NBKYQICAMKYFRL-DEYYWGMASA-N 0 0 462.594 -0.267 20 0 JBADRN C[C@@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1(C)C ZINC001613023274 1069450789 /nfs/dbraw/zinc/45/07/89/1069450789.db2.gz NBKYQICAMKYFRL-IYOUNJFTSA-N 0 0 462.594 -0.267 20 0 JBADRN C[C@@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1(C)C ZINC001613023275 1069450700 /nfs/dbraw/zinc/45/07/00/1069450700.db2.gz NBKYQICAMKYFRL-PMUMKWKESA-N 0 0 462.594 -0.267 20 0 JBADRN C[C@@H]1N(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1(C)C ZINC001613023276 1069450747 /nfs/dbraw/zinc/45/07/47/1069450747.db2.gz NBKYQICAMKYFRL-SUNYJGFJSA-N 0 0 462.594 -0.267 20 0 JBADRN C[C@H]1N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CCOC1(C)C ZINC001613024120 1069450754 /nfs/dbraw/zinc/45/07/54/1069450754.db2.gz ZNKDUIRNXRZNGS-CHWSQXEVSA-N 0 0 480.538 -0.004 20 0 JBADRN C[C@H]1N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CCOC1(C)C ZINC001613024121 1069450854 /nfs/dbraw/zinc/45/08/54/1069450854.db2.gz ZNKDUIRNXRZNGS-OLZOCXBDSA-N 0 0 480.538 -0.004 20 0 JBADRN C[C@@H]1N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CCOC1(C)C ZINC001613024122 1069450808 /nfs/dbraw/zinc/45/08/08/1069450808.db2.gz ZNKDUIRNXRZNGS-QWHCGFSZSA-N 0 0 480.538 -0.004 20 0 JBADRN C[C@@H]1N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CCOC1(C)C ZINC001613024123 1069450708 /nfs/dbraw/zinc/45/07/08/1069450708.db2.gz ZNKDUIRNXRZNGS-STQMWFEESA-N 0 0 480.538 -0.004 20 0 JBADRN C[C@H]1OCC[C@@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001613025616 1069450838 /nfs/dbraw/zinc/45/08/38/1069450838.db2.gz FMMIKKRRNAHYRZ-FOIQADDNSA-N 0 0 470.596 -0.086 20 0 JBADRN C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001613025617 1069450656 /nfs/dbraw/zinc/45/06/56/1069450656.db2.gz FMMIKKRRNAHYRZ-MGPUTAFESA-N 0 0 470.596 -0.086 20 0 JBADRN C[C@H]1OCC[C@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001613025618 1069450847 /nfs/dbraw/zinc/45/08/47/1069450847.db2.gz FMMIKKRRNAHYRZ-QRWLVFNGSA-N 0 0 470.596 -0.086 20 0 JBADRN C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001613025619 1069450768 /nfs/dbraw/zinc/45/07/68/1069450768.db2.gz FMMIKKRRNAHYRZ-YWZLYKJASA-N 0 0 470.596 -0.086 20 0 JBADRN C[C@H]1OCC[C@@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001613027469 1069450679 /nfs/dbraw/zinc/45/06/79/1069450679.db2.gz XXCYQJMTZITYGW-FOIQADDNSA-N 0 0 470.596 -0.086 20 0 JBADRN C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001613027470 1069450691 /nfs/dbraw/zinc/45/06/91/1069450691.db2.gz XXCYQJMTZITYGW-MGPUTAFESA-N 0 0 470.596 -0.086 20 0 JBADRN C[C@H]1OCC[C@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001613027471 1069450820 /nfs/dbraw/zinc/45/08/20/1069450820.db2.gz XXCYQJMTZITYGW-QRWLVFNGSA-N 0 0 470.596 -0.086 20 0 JBADRN C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001613027472 1069450858 /nfs/dbraw/zinc/45/08/58/1069450858.db2.gz XXCYQJMTZITYGW-YWZLYKJASA-N 0 0 470.596 -0.086 20 0 JBADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCCCO)C1CC1 ZINC001613027727 1069450863 /nfs/dbraw/zinc/45/08/63/1069450863.db2.gz AXFOXIUWTDQEQO-KNBMTAEXSA-N 0 0 473.596 -0.108 20 0 JBADRN C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCCCO)C1CC1 ZINC001613027728 1069450728 /nfs/dbraw/zinc/45/07/28/1069450728.db2.gz AXFOXIUWTDQEQO-RIFZZMRRSA-N 0 0 473.596 -0.108 20 0 JBADRN 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WIYRBWJAZYNYDN-AWEZNQCLSA-N 0 0 461.610 -0.045 20 0 JBADRN CN(C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CC1)S(C)(=O)=O ZINC001617789389 1069553251 /nfs/dbraw/zinc/55/32/51/1069553251.db2.gz WIYRBWJAZYNYDN-CQSZACIVSA-N 0 0 461.610 -0.045 20 0 JBADRN CN(C1CCN(c2nnc(Cc3cccnc3)n2CC(=O)N2CCOCC2)CC1)S(C)(=O)=O ZINC001617792740 1069553361 /nfs/dbraw/zinc/55/33/61/1069553361.db2.gz LIKSXBHVUKIILN-UHFFFAOYSA-N 0 0 477.591 -0.017 20 0 JBADRN CN(C1CCN(c2nnc(CN3CCCC3=O)n2CCCNS(C)(=O)=O)CC1)S(C)(=O)=O ZINC001617793749 1069553314 /nfs/dbraw/zinc/55/33/14/1069553314.db2.gz SRMGRWHWIBEBJO-UHFFFAOYSA-N 0 0 491.640 -0.800 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)F ZINC001617795026 1069553352 /nfs/dbraw/zinc/55/33/52/1069553352.db2.gz ALNZOTDTKUOQDL-CYBMUJFWSA-N 0 0 451.496 -0.243 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)F ZINC001617795036 1069553309 /nfs/dbraw/zinc/55/33/09/1069553309.db2.gz ALNZOTDTKUOQDL-ZDUSSCGKSA-N 0 0 451.496 -0.243 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 ZINC001617795065 1069553265 /nfs/dbraw/zinc/55/32/65/1069553265.db2.gz AXMQHJYFGZDYKZ-KRWDZBQOSA-N 0 0 484.623 -0.414 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 ZINC001617795076 1069553274 /nfs/dbraw/zinc/55/32/74/1069553274.db2.gz AXMQHJYFGZDYKZ-QGZVFWFLSA-N 0 0 484.623 -0.414 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O ZINC001617795571 1069553288 /nfs/dbraw/zinc/55/32/88/1069553288.db2.gz HROYNQONAYOXCJ-HNNXBMFYSA-N 0 0 470.552 -0.683 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O ZINC001617795572 1069553819 /nfs/dbraw/zinc/55/38/19/1069553819.db2.gz HROYNQONAYOXCJ-OAHLLOKOSA-N 0 0 470.552 -0.683 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc(Cc2cn3ccccc3n2)n1CCS(C)(=O)=O ZINC001617795597 1069553733 /nfs/dbraw/zinc/55/37/33/1069553733.db2.gz IUKBVVPNGVRMSN-UHFFFAOYSA-N 0 0 461.548 -0.144 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C ZINC001617795641 1069553764 /nfs/dbraw/zinc/55/37/64/1069553764.db2.gz JZSPYERGWJDDDP-HNNXBMFYSA-N 0 0 486.595 0.000 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C ZINC001617795642 1069553721 /nfs/dbraw/zinc/55/37/21/1069553721.db2.gz JZSPYERGWJDDDP-OAHLLOKOSA-N 0 0 486.595 0.000 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCCCO ZINC001617795670 1069553725 /nfs/dbraw/zinc/55/37/25/1069553725.db2.gz KUBXJXBFNJCFEA-HNNXBMFYSA-N 0 0 461.610 -0.409 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCCCO ZINC001617795671 1069553812 /nfs/dbraw/zinc/55/38/12/1069553812.db2.gz KUBXJXBFNJCFEA-OAHLLOKOSA-N 0 0 461.610 -0.409 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001617795721 1069553705 /nfs/dbraw/zinc/55/37/05/1069553705.db2.gz MFRHHZAWPWXCSB-FQEVSTJZSA-N 0 0 464.548 -0.892 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001617795722 1069553756 /nfs/dbraw/zinc/55/37/56/1069553756.db2.gz MFRHHZAWPWXCSB-HXUWFJFHSA-N 0 0 464.548 -0.892 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 ZINC001617795740 1069553834 /nfs/dbraw/zinc/55/38/34/1069553834.db2.gz MXKWORSPAOTMEA-DLBZAZTESA-N 0 0 486.595 -0.525 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 ZINC001617795741 1069553791 /nfs/dbraw/zinc/55/37/91/1069553791.db2.gz MXKWORSPAOTMEA-IAGOWNOFSA-N 0 0 486.595 -0.525 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 ZINC001617795742 1069553747 /nfs/dbraw/zinc/55/37/47/1069553747.db2.gz MXKWORSPAOTMEA-IRXDYDNUSA-N 0 0 486.595 -0.525 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 ZINC001617795743 1069553805 /nfs/dbraw/zinc/55/38/05/1069553805.db2.gz MXKWORSPAOTMEA-SJORKVTESA-N 0 0 486.595 -0.525 20 0 JBADRN CN(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001617795746 1069553774 /nfs/dbraw/zinc/55/37/74/1069553774.db2.gz NDPBGCAZNZTBFC-GOSISDBHSA-N 0 0 494.574 -0.023 20 0 JBADRN CN(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001617795747 1069553848 /nfs/dbraw/zinc/55/38/48/1069553848.db2.gz NDPBGCAZNZTBFC-SFHVURJKSA-N 0 0 494.574 -0.023 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001617795770 1069553740 /nfs/dbraw/zinc/55/37/40/1069553740.db2.gz NXIGHSKZRNDHGU-HZPDHXFCSA-N 0 0 456.569 -0.499 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001617795771 1069553799 /nfs/dbraw/zinc/55/37/99/1069553799.db2.gz NXIGHSKZRNDHGU-JKSUJKDBSA-N 0 0 456.569 -0.499 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F ZINC001617796087 1069553827 /nfs/dbraw/zinc/55/38/27/1069553827.db2.gz QWHPADBRCDMYOP-GFCCVEGCSA-N 0 0 482.485 -0.846 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F ZINC001617796088 1069553783 /nfs/dbraw/zinc/55/37/83/1069553783.db2.gz QWHPADBRCDMYOP-LBPRGKRZSA-N 0 0 482.485 -0.846 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 ZINC001617796114 1069553794 /nfs/dbraw/zinc/55/37/94/1069553794.db2.gz RISFCWHMEWJZRS-INIZCTEOSA-N 0 0 486.595 -0.789 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 ZINC001617796122 1069553842 /nfs/dbraw/zinc/55/38/42/1069553842.db2.gz RISFCWHMEWJZRS-MRXNPFEDSA-N 0 0 486.595 -0.789 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001617796191 1069554366 /nfs/dbraw/zinc/55/43/66/1069554366.db2.gz RUOBLDKXJISTTK-GOSISDBHSA-N 0 0 477.591 -0.017 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 ZINC001617796205 1069554341 /nfs/dbraw/zinc/55/43/41/1069554341.db2.gz RYCRTNZIGCIPRL-JXFKEZNVSA-N 0 0 486.595 -0.933 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 ZINC001617796206 1069554374 /nfs/dbraw/zinc/55/43/74/1069554374.db2.gz RYCRTNZIGCIPRL-OXJNMPFZSA-N 0 0 486.595 -0.933 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 ZINC001617796207 1069554302 /nfs/dbraw/zinc/55/43/02/1069554302.db2.gz RYCRTNZIGCIPRL-OXQOHEQNSA-N 0 0 486.595 -0.933 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 ZINC001617796208 1069554328 /nfs/dbraw/zinc/55/43/28/1069554328.db2.gz RYCRTNZIGCIPRL-UZLBHIALSA-N 0 0 486.595 -0.933 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 ZINC001617798335 1069554360 /nfs/dbraw/zinc/55/43/60/1069554360.db2.gz FDYSYGJEADVWGQ-UHFFFAOYSA-N 0 0 468.580 -0.337 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 ZINC001617798651 1069554238 /nfs/dbraw/zinc/55/42/38/1069554238.db2.gz IRYHLQUJOTUHOM-UHFFFAOYSA-N 0 0 491.574 -0.577 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 ZINC001617798930 1069554248 /nfs/dbraw/zinc/55/42/48/1069554248.db2.gz LAIUNOSXHWUGGT-CQSZACIVSA-N 0 0 461.548 -0.157 20 0 JBADRN CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001617799836 1069554353 /nfs/dbraw/zinc/55/43/53/1069554353.db2.gz UBQYKCYGQGQOHT-OAHLLOKOSA-N 0 0 457.553 -0.636 20 0 JBADRN CN(CC(=O)NC(C)(C)C)c1nnc(-c2cnn(C)c2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001617803986 1069554260 /nfs/dbraw/zinc/55/42/60/1069554260.db2.gz UQTHMXLIGPHXOL-UHFFFAOYSA-N 0 0 453.569 -0.031 20 0 JBADRN CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F ZINC001617805733 1069554346 /nfs/dbraw/zinc/55/43/46/1069554346.db2.gz HELOPBNARWQWKR-LLVKDONJSA-N 0 0 450.512 -0.088 20 0 JBADRN CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F ZINC001617805734 1069554321 /nfs/dbraw/zinc/55/43/21/1069554321.db2.gz HELOPBNARWQWKR-NSHDSACASA-N 0 0 450.512 -0.088 20 0 JBADRN CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 ZINC001617807539 1069554369 /nfs/dbraw/zinc/55/43/69/1069554369.db2.gz JWCDCMGNSHCTKM-HNNXBMFYSA-N 0 0 468.584 -0.256 20 0 JBADRN CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 ZINC001617807553 1069554318 /nfs/dbraw/zinc/55/43/18/1069554318.db2.gz JWCDCMGNSHCTKM-OAHLLOKOSA-N 0 0 468.584 -0.256 20 0 JBADRN CN(CC(=O)NC(C)(C)C)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O ZINC001617808055 1069554308 /nfs/dbraw/zinc/55/43/08/1069554308.db2.gz ITLPEXWYAIPIKI-UHFFFAOYSA-N 0 0 455.585 -0.213 20 0 JBADRN CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001617808509 1069554334 /nfs/dbraw/zinc/55/43/34/1069554334.db2.gz NYVVVGBSPGPZJM-KBPBESRZSA-N 0 0 461.610 -0.034 20 0 JBADRN CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001617808513 1069554380 /nfs/dbraw/zinc/55/43/80/1069554380.db2.gz NYVVVGBSPGPZJM-KGLIPLIRSA-N 0 0 461.610 -0.034 20 0 JBADRN 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Cn1cccc1-c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC(=O)NCC(F)F ZINC001618442008 1069561762 /nfs/dbraw/zinc/56/17/62/1069561762.db2.gz BWJPNTQXHXPQEX-UHFFFAOYSA-N 0 0 464.477 -0.408 20 0 JBADRN Cn1cccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCCNS(C)(=O)=O ZINC001618442178 1069561770 /nfs/dbraw/zinc/56/17/70/1069561770.db2.gz DYTAFXIOPOLGTP-UHFFFAOYSA-N 0 0 459.598 -0.305 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCOCCS(C)(=O)=O ZINC001618442220 1069562287 /nfs/dbraw/zinc/56/22/87/1069562287.db2.gz GQGMNFXDNADMFI-UHFFFAOYSA-N 0 0 493.590 -0.728 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCCCCO ZINC001618442533 1069562239 /nfs/dbraw/zinc/56/22/39/1069562239.db2.gz LJGUKYUDXRPRNH-UHFFFAOYSA-N 0 0 459.551 -0.046 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCS(C)(=O)=O ZINC001618442857 1069562297 /nfs/dbraw/zinc/56/22/97/1069562297.db2.gz QFULXAPJNURDQH-UHFFFAOYSA-N 0 0 465.580 -0.691 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001618443030 1069562309 /nfs/dbraw/zinc/56/23/09/1069562309.db2.gz UXPURIIDRMGHQQ-UHFFFAOYSA-N 0 0 492.606 -0.506 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCS(C)(=O)=O ZINC001618443344 1069562304 /nfs/dbraw/zinc/56/23/04/1069562304.db2.gz XPFHEZHDPYXOPQ-UHFFFAOYSA-N 0 0 451.553 -0.098 20 0 JBADRN NC(=O)CN1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1=O ZINC001618445758 1069562322 /nfs/dbraw/zinc/56/23/22/1069562322.db2.gz DBFDYLVTSMVESZ-UHFFFAOYSA-N 0 0 451.549 -0.893 20 0 JBADRN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(CC(N)=O)C(=O)C1 ZINC001618446914 1069562271 /nfs/dbraw/zinc/56/22/71/1069562271.db2.gz QHJDHYCYMJEGDJ-HNNXBMFYSA-N 0 0 451.549 -0.182 20 0 JBADRN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(CC(N)=O)C(=O)C1 ZINC001618446917 1069562222 /nfs/dbraw/zinc/56/22/22/1069562222.db2.gz QHJDHYCYMJEGDJ-OAHLLOKOSA-N 0 0 451.549 -0.182 20 0 JBADRN Cn1cccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCC(=O)N1CCOCC1 ZINC001618448560 1069562230 /nfs/dbraw/zinc/56/22/30/1069562230.db2.gz FBILAPIRZSWVPG-UHFFFAOYSA-N 0 0 451.553 -0.386 20 0 JBADRN Cn1cnc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC001618451037 1069562336 /nfs/dbraw/zinc/56/23/36/1069562336.db2.gz NDBGTQRMTXYVOD-AWEZNQCLSA-N 0 0 451.557 -0.544 20 0 JBADRN Cn1cnc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)n1 ZINC001618451042 1069562209 /nfs/dbraw/zinc/56/22/09/1069562209.db2.gz NDBGTQRMTXYVOD-CQSZACIVSA-N 0 0 451.557 -0.544 20 0 JBADRN Cn1cnc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CNS(C)(=O)=O)CC2)n1 ZINC001618451552 1069562280 /nfs/dbraw/zinc/56/22/80/1069562280.db2.gz SSZIWJJVKFWMOK-UHFFFAOYSA-N 0 0 451.557 -0.657 20 0 JBADRN CN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1=O ZINC001618452726 1069562292 /nfs/dbraw/zinc/56/22/92/1069562292.db2.gz YXRNFZZVGHSKCS-AWEZNQCLSA-N 0 0 451.954 -0.278 20 0 JBADRN CN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1=O ZINC001618452727 1069562253 /nfs/dbraw/zinc/56/22/53/1069562253.db2.gz YXRNFZZVGHSKCS-CQSZACIVSA-N 0 0 451.954 -0.278 20 0 JBADRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 ZINC001618452801 1069562326 /nfs/dbraw/zinc/56/23/26/1069562326.db2.gz AXFCSJYJSKVLLA-HNNXBMFYSA-N 0 0 458.562 -0.488 20 0 JBADRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)s1 ZINC001618452802 1069562300 /nfs/dbraw/zinc/56/23/00/1069562300.db2.gz AXFCSJYJSKVLLA-OAHLLOKOSA-N 0 0 458.562 -0.488 20 0 JBADRN NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC001618453257 1069562316 /nfs/dbraw/zinc/56/23/16/1069562316.db2.gz OKGITKZMRVITJU-HNNXBMFYSA-N 0 0 458.924 -0.433 20 0 JBADRN NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC001618453258 1069562197 /nfs/dbraw/zinc/56/21/97/1069562197.db2.gz OKGITKZMRVITJU-OAHLLOKOSA-N 0 0 458.924 -0.433 20 0 JBADRN Cn1cnnc1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001618455785 1069562262 /nfs/dbraw/zinc/56/22/62/1069562262.db2.gz DUWGSWHKFOXWNW-UHFFFAOYSA-N 0 0 451.557 -0.657 20 0 JBADRN CN1C[C@](C)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC001618458958 1069562330 /nfs/dbraw/zinc/56/23/30/1069562330.db2.gz PMPLDQYRCYXPFT-BIENJYKASA-N 0 0 453.569 -0.527 20 0 JBADRN CN1C[C@](C)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC001618458959 1069562695 /nfs/dbraw/zinc/56/26/95/1069562695.db2.gz PMPLDQYRCYXPFT-CKFHNAJUSA-N 0 0 453.569 -0.527 20 0 JBADRN CN1C[C@](C)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC001618458961 1069562688 /nfs/dbraw/zinc/56/26/88/1069562688.db2.gz PMPLDQYRCYXPFT-IQUTYRLHSA-N 0 0 453.569 -0.527 20 0 JBADRN CN1C[C@](C)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC001618458963 1069562731 /nfs/dbraw/zinc/56/27/31/1069562731.db2.gz PMPLDQYRCYXPFT-PJIJBLCYSA-N 0 0 453.569 -0.527 20 0 JBADRN CN1C[C@](C)(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC001618459037 1069562652 /nfs/dbraw/zinc/56/26/52/1069562652.db2.gz QLWBOQAYERVOSW-AUUYWEPGSA-N 0 0 450.569 -0.078 20 0 JBADRN CN1C[C@](C)(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC001618459038 1069562739 /nfs/dbraw/zinc/56/27/39/1069562739.db2.gz QLWBOQAYERVOSW-IFXJQAMLSA-N 0 0 450.569 -0.078 20 0 JBADRN CN1C[C@@](C)(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC001618459039 1069562704 /nfs/dbraw/zinc/56/27/04/1069562704.db2.gz QLWBOQAYERVOSW-KUHUBIRLSA-N 0 0 450.569 -0.078 20 0 JBADRN CN1C[C@@](C)(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC001618459040 1069562659 /nfs/dbraw/zinc/56/26/59/1069562659.db2.gz QLWBOQAYERVOSW-LIRRHRJNSA-N 0 0 450.569 -0.078 20 0 JBADRN CN1C[C@](C)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC001618459787 1069562684 /nfs/dbraw/zinc/56/26/84/1069562684.db2.gz VJSGKURZIWDGCF-HBUWYVDXSA-N 0 0 459.594 -0.328 20 0 JBADRN CN1C[C@](C)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC001618459790 1069562677 /nfs/dbraw/zinc/56/26/77/1069562677.db2.gz VJSGKURZIWDGCF-PMUMKWKESA-N 0 0 459.594 -0.328 20 0 JBADRN CN1C[C@](C)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1=O ZINC001618459793 1069562722 /nfs/dbraw/zinc/56/27/22/1069562722.db2.gz VJSGKURZIWDGCF-QWQRMKEZSA-N 0 0 459.594 -0.328 20 0 JBADRN CN1C[C@](C)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1=O ZINC001618459797 1069562669 /nfs/dbraw/zinc/56/26/69/1069562669.db2.gz VJSGKURZIWDGCF-SUNYJGFJSA-N 0 0 459.594 -0.328 20 0 JBADRN CN1C[C@](C)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(CC(F)F)CC2)C1=O ZINC001618460253 1069562718 /nfs/dbraw/zinc/56/27/18/1069562718.db2.gz ZVKCSXCNRYVCLK-AUUYWEPGSA-N 0 0 491.565 -0.524 20 0 JBADRN CN1C[C@](C)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(CC(F)F)CC2)C1=O ZINC001618460255 1069562749 /nfs/dbraw/zinc/56/27/49/1069562749.db2.gz ZVKCSXCNRYVCLK-IFXJQAMLSA-N 0 0 491.565 -0.524 20 0 JBADRN CN1C[C@@](C)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(CC(F)F)CC2)C1=O ZINC001618460257 1069562643 /nfs/dbraw/zinc/56/26/43/1069562643.db2.gz ZVKCSXCNRYVCLK-KUHUBIRLSA-N 0 0 491.565 -0.524 20 0 JBADRN CN1C[C@@](C)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(CC(F)F)CC2)C1=O ZINC001618460259 1069562708 /nfs/dbraw/zinc/56/27/08/1069562708.db2.gz ZVKCSXCNRYVCLK-LIRRHRJNSA-N 0 0 491.565 -0.524 20 0 JBADRN CN1C[C@H]2CN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCNS(C)(=O)=O)CCN2C1=O ZINC001618461423 1069562742 /nfs/dbraw/zinc/56/27/42/1069562742.db2.gz DHKBQGLECVMAIY-HNNXBMFYSA-N 0 0 497.603 -0.546 20 0 JBADRN CN1C[C@@H]2CN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCNS(C)(=O)=O)CCN2C1=O ZINC001618461424 1069562746 /nfs/dbraw/zinc/56/27/46/1069562746.db2.gz DHKBQGLECVMAIY-OAHLLOKOSA-N 0 0 497.603 -0.546 20 0 JBADRN CN(C)S(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001618462963 1069562728 /nfs/dbraw/zinc/56/27/28/1069562728.db2.gz OQXBFXKDLVEQMK-AWEZNQCLSA-N 0 0 477.551 -0.627 20 0 JBADRN CN(C)S(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001618462964 1069562735 /nfs/dbraw/zinc/56/27/35/1069562735.db2.gz OQXBFXKDLVEQMK-CQSZACIVSA-N 0 0 477.551 -0.627 20 0 JBADRN CN1C[C@@H]2CN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CCCCCO)CCN2C1=O ZINC001618463606 1069562752 /nfs/dbraw/zinc/56/27/52/1069562752.db2.gz PWJGNZGQXXANLK-CVEARBPZSA-N 0 0 471.584 -0.670 20 0 JBADRN CN1C[C@H]2CN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CCCCCO)CCN2C1=O ZINC001618463611 1069563195 /nfs/dbraw/zinc/56/31/95/1069563195.db2.gz PWJGNZGQXXANLK-HOTGVXAUSA-N 0 0 471.584 -0.670 20 0 JBADRN CN1C[C@@H]2CN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCCCCO)CCN2C1=O ZINC001618463613 1069563292 /nfs/dbraw/zinc/56/32/92/1069563292.db2.gz PWJGNZGQXXANLK-HZPDHXFCSA-N 0 0 471.584 -0.670 20 0 JBADRN CN1C[C@H]2CN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCCCCO)CCN2C1=O ZINC001618463615 1069563167 /nfs/dbraw/zinc/56/31/67/1069563167.db2.gz PWJGNZGQXXANLK-JKSUJKDBSA-N 0 0 471.584 -0.670 20 0 JBADRN CN1C[C@@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC(=O)NCC(F)F)CCN2C1=O ZINC001618465319 1069563157 /nfs/dbraw/zinc/56/31/57/1069563157.db2.gz ZUWAKJLGSPQBSX-GFCCVEGCSA-N 0 0 463.449 -0.137 20 0 JBADRN CN1C[C@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC(=O)NCC(F)F)CCN2C1=O ZINC001618465320 1069563284 /nfs/dbraw/zinc/56/32/84/1069563284.db2.gz ZUWAKJLGSPQBSX-LBPRGKRZSA-N 0 0 463.449 -0.137 20 0 JBADRN CN(CCS(C)(=O)=O)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 ZINC001618467534 1069563774 /nfs/dbraw/zinc/56/37/74/1069563774.db2.gz UTGATJGMHWUKDN-GOSISDBHSA-N 0 0 456.594 -0.183 20 0 JBADRN CN(CCS(C)(=O)=O)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 ZINC001618467536 1069563872 /nfs/dbraw/zinc/56/38/72/1069563872.db2.gz UTGATJGMHWUKDN-SFHVURJKSA-N 0 0 456.594 -0.183 20 0 JBADRN CN1C[C@H]2CN(c3nnc(Cc4ccncc4)n3CCOCCS(C)(=O)=O)CCN2C1=O ZINC001618469568 1069563901 /nfs/dbraw/zinc/56/39/01/1069563901.db2.gz YVDKTUUXVROMML-KRWDZBQOSA-N 0 0 463.564 -0.119 20 0 JBADRN CN1C[C@@H]2CN(c3nnc(Cc4ccncc4)n3CCOCCS(C)(=O)=O)CCN2C1=O ZINC001618469569 1069563768 /nfs/dbraw/zinc/56/37/68/1069563768.db2.gz YVDKTUUXVROMML-QGZVFWFLSA-N 0 0 463.564 -0.119 20 0 JBADRN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C ZINC001618475088 1069564512 /nfs/dbraw/zinc/56/45/12/1069564512.db2.gz DQVBQVBWTWTOMA-HNNXBMFYSA-N 0 0 454.549 -0.131 20 0 JBADRN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C ZINC001618475089 1069564313 /nfs/dbraw/zinc/56/43/13/1069564313.db2.gz DQVBQVBWTWTOMA-OAHLLOKOSA-N 0 0 454.549 -0.131 20 0 JBADRN Cc1nnc(CN2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)CC2)[nH]1 ZINC001618475117 1069564319 /nfs/dbraw/zinc/56/43/19/1069564319.db2.gz FDCOAGQATGRZJY-WBVHZDCISA-N 0 0 452.512 -0.279 20 0 JBADRN O=C(CN1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001618475360 1069564206 /nfs/dbraw/zinc/56/42/06/1069564206.db2.gz IGVKPCVOFIBWFY-INIZCTEOSA-N 0 0 456.952 -0.483 20 0 JBADRN O=C(CN1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001618475361 1069564474 /nfs/dbraw/zinc/56/44/74/1069564474.db2.gz IGVKPCVOFIBWFY-MRXNPFEDSA-N 0 0 456.952 -0.483 20 0 JBADRN 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CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1=O ZINC001618481979 1069565015 /nfs/dbraw/zinc/56/50/15/1069565015.db2.gz GXVPUHPYYXVRRF-CQSZACIVSA-N 0 0 459.473 -0.058 20 0 JBADRN CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CC1=O ZINC001618482220 1069564927 /nfs/dbraw/zinc/56/49/27/1069564927.db2.gz HRIXTJAKCBPSNA-KRWDZBQOSA-N 0 0 460.560 -0.183 20 0 JBADRN CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CC1=O ZINC001618482222 1069565047 /nfs/dbraw/zinc/56/50/47/1069565047.db2.gz HRIXTJAKCBPSNA-QGZVFWFLSA-N 0 0 460.560 -0.183 20 0 JBADRN CN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001618482328 1069565035 /nfs/dbraw/zinc/56/50/35/1069565035.db2.gz JIRMLJHIYMRJFS-UHFFFAOYSA-N 0 0 482.588 -0.512 20 0 JBADRN CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@@](=O)C(C)(C)C)CC1=O ZINC001618482475 1069565024 /nfs/dbraw/zinc/56/50/24/1069565024.db2.gz JKXGYFWRRLRKNB-ILHIWHGASA-N 0 0 476.625 -0.563 20 0 JBADRN 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CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccco2)CC1=O ZINC001618482603 1069564919 /nfs/dbraw/zinc/56/49/19/1069564919.db2.gz LQOBFKGPNGANQD-AUUYWEPGSA-N 0 0 468.536 -0.610 20 0 JBADRN CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccco2)CC1=O ZINC001618482604 1069565584 /nfs/dbraw/zinc/56/55/84/1069565584.db2.gz LQOBFKGPNGANQD-IFXJQAMLSA-N 0 0 468.536 -0.610 20 0 JBADRN CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccco2)CC1=O ZINC001618482605 1069565501 /nfs/dbraw/zinc/56/55/01/1069565501.db2.gz LQOBFKGPNGANQD-KUHUBIRLSA-N 0 0 468.536 -0.610 20 0 JBADRN CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccco2)CC1=O ZINC001618482613 1069565514 /nfs/dbraw/zinc/56/55/14/1069565514.db2.gz LQOBFKGPNGANQD-LIRRHRJNSA-N 0 0 468.536 -0.610 20 0 JBADRN CN1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N2CCSCC2)CC1=O ZINC001618482714 1069565520 /nfs/dbraw/zinc/56/55/20/1069565520.db2.gz OIMKBJJAACDCBA-UHFFFAOYSA-N 0 0 465.605 -0.079 20 0 JBADRN CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2cccn2)CC1=O ZINC001618482800 1069565506 /nfs/dbraw/zinc/56/55/06/1069565506.db2.gz ORLLUQOGMYFDSX-HNNXBMFYSA-N 0 0 452.541 -0.824 20 0 JBADRN CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2cccn2)CC1=O ZINC001618482802 1069565529 /nfs/dbraw/zinc/56/55/29/1069565529.db2.gz ORLLUQOGMYFDSX-OAHLLOKOSA-N 0 0 452.541 -0.824 20 0 JBADRN CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCS(=O)(=O)C2)CC1=O ZINC001618483008 1069565589 /nfs/dbraw/zinc/56/55/89/1069565589.db2.gz REXTZLDVUYATHL-CYBMUJFWSA-N 0 0 452.562 -0.017 20 0 JBADRN CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC001618483009 1069565486 /nfs/dbraw/zinc/56/54/86/1069565486.db2.gz REXTZLDVUYATHL-ZDUSSCGKSA-N 0 0 452.562 -0.017 20 0 JBADRN CN(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 ZINC001618483120 1069565568 /nfs/dbraw/zinc/56/55/68/1069565568.db2.gz SPGUBOJGVCXJJU-INIZCTEOSA-N 0 0 450.521 -0.040 20 0 JBADRN CN(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 ZINC001618483125 1069565492 /nfs/dbraw/zinc/56/54/92/1069565492.db2.gz SPGUBOJGVCXJJU-MRXNPFEDSA-N 0 0 450.521 -0.040 20 0 JBADRN CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2)CC1=O ZINC001618483209 1069565473 /nfs/dbraw/zinc/56/54/73/1069565473.db2.gz USZKGBDNZIWAIQ-KRWDZBQOSA-N 0 0 464.548 -0.032 20 0 JBADRN CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2)CC1=O ZINC001618483211 1069565537 /nfs/dbraw/zinc/56/55/37/1069565537.db2.gz USZKGBDNZIWAIQ-QGZVFWFLSA-N 0 0 464.548 -0.032 20 0 JBADRN CN1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1=O ZINC001618483510 1069565554 /nfs/dbraw/zinc/56/55/54/1069565554.db2.gz XYQUUIXPVDOUFX-HNNXBMFYSA-N 0 0 458.610 -0.171 20 0 JBADRN CN1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1=O ZINC001618483511 1069565466 /nfs/dbraw/zinc/56/54/66/1069565466.db2.gz XYQUUIXPVDOUFX-OAHLLOKOSA-N 0 0 458.610 -0.171 20 0 JBADRN CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CO)c2)CC1=O ZINC001618483522 1069565549 /nfs/dbraw/zinc/56/55/49/1069565549.db2.gz YDMGRCSTKKNJGE-KRWDZBQOSA-N 0 0 464.548 -0.570 20 0 JBADRN CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CO)c2)CC1=O ZINC001618483523 1069565458 /nfs/dbraw/zinc/56/54/58/1069565458.db2.gz YDMGRCSTKKNJGE-QGZVFWFLSA-N 0 0 464.548 -0.570 20 0 JBADRN CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CSCCS2)CC1=O ZINC001618483540 1069565445 /nfs/dbraw/zinc/56/54/45/1069565445.db2.gz YSCBCAMEFFLCIN-KBPBESRZSA-N 0 0 476.650 -0.262 20 0 JBADRN CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CSCCS2)CC1=O ZINC001618483541 1069565575 /nfs/dbraw/zinc/56/55/75/1069565575.db2.gz YSCBCAMEFFLCIN-KGLIPLIRSA-N 0 0 476.650 -0.262 20 0 JBADRN CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CSCCS2)CC1=O ZINC001618483542 1069565600 /nfs/dbraw/zinc/56/56/00/1069565600.db2.gz YSCBCAMEFFLCIN-UONOGXRCSA-N 0 0 476.650 -0.262 20 0 JBADRN CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CSCCS2)CC1=O ZINC001618483543 1069565477 /nfs/dbraw/zinc/56/54/77/1069565477.db2.gz YSCBCAMEFFLCIN-ZIAGYGMSSA-N 0 0 476.650 -0.262 20 0 JBADRN O=C(CN1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001618484014 1069566110 /nfs/dbraw/zinc/56/61/10/1069566110.db2.gz CWEVRPWNHJDVRQ-LLVKDONJSA-N 0 0 450.439 -0.133 20 0 JBADRN O=C(CN1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001618484015 1069565987 /nfs/dbraw/zinc/56/59/87/1069565987.db2.gz CWEVRPWNHJDVRQ-NSHDSACASA-N 0 0 450.439 -0.133 20 0 JBADRN CC(=O)N/C(=C/c1cccs1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001618484047 1069565978 /nfs/dbraw/zinc/56/59/78/1069565978.db2.gz DIFBUIWTFGALQM-QAEAHILHSA-N 0 0 454.574 -0.327 20 0 JBADRN CC(=O)N/C(=C\c1cccs1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001618484048 1069566103 /nfs/dbraw/zinc/56/61/03/1069566103.db2.gz DIFBUIWTFGALQM-QJISPJEISA-N 0 0 454.574 -0.327 20 0 JBADRN CC(=O)N/C(=C/c1cccs1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001618484049 1069566015 /nfs/dbraw/zinc/56/60/15/1069566015.db2.gz DIFBUIWTFGALQM-VUVCFOEZSA-N 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CS(=O)(=O)Cc1cccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001618484995 1069565933 /nfs/dbraw/zinc/56/59/33/1069565933.db2.gz MYWHHWQKEPEJAN-QGZVFWFLSA-N 0 0 457.574 -0.708 20 0 JBADRN COCCOCc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001618485006 1069565999 /nfs/dbraw/zinc/56/59/99/1069565999.db2.gz NHPAANRFJQWODG-IBGZPJMESA-N 0 0 453.561 -0.089 20 0 JBADRN COCCOCc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001618485009 1069566042 /nfs/dbraw/zinc/56/60/42/1069566042.db2.gz NHPAANRFJQWODG-LJQANCHMSA-N 0 0 453.561 -0.089 20 0 JBADRN COC(=O)COc1cccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001618485188 1069565965 /nfs/dbraw/zinc/56/59/65/1069565965.db2.gz PHSLKDFEVYGRJP-INIZCTEOSA-N 0 0 453.517 -0.701 20 0 JBADRN COC(=O)COc1cccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001618485189 1069566053 /nfs/dbraw/zinc/56/60/53/1069566053.db2.gz PHSLKDFEVYGRJP-MRXNPFEDSA-N 0 0 453.517 -0.701 20 0 JBADRN 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C[C@]1(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)Oc2ccccc2NC1=O ZINC001618485334 1069566414 /nfs/dbraw/zinc/56/64/14/1069566414.db2.gz QHRZSAULZJMNEE-XOBRGWDASA-N 0 0 450.517 -0.776 20 0 JBADRN Cc1cn(C2CCOCC2)nc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001618485336 1069566535 /nfs/dbraw/zinc/56/65/35/1069566535.db2.gz QKGACVXOVVGYGZ-INIZCTEOSA-N 0 0 453.565 -0.396 20 0 JBADRN Cc1cn(C2CCOCC2)nc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001618485337 1069566476 /nfs/dbraw/zinc/56/64/76/1069566476.db2.gz QKGACVXOVVGYGZ-MRXNPFEDSA-N 0 0 453.565 -0.396 20 0 JBADRN Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001618485438 1069566398 /nfs/dbraw/zinc/56/63/98/1069566398.db2.gz RLRIIDAVLQPQLX-CYBMUJFWSA-N 0 0 451.471 -0.342 20 0 JBADRN Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001618485439 1069566506 /nfs/dbraw/zinc/56/65/06/1069566506.db2.gz RLRIIDAVLQPQLX-ZDUSSCGKSA-N 0 0 451.471 -0.342 20 0 JBADRN 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O=C(CN1CCN(C(=O)[C@@H]2CSC(c3ccccc3)=N2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001618485573 1069567048 /nfs/dbraw/zinc/56/70/48/1069567048.db2.gz VNYZMLKNYMFADB-IRXDYDNUSA-N 0 0 450.586 -0.004 20 0 JBADRN O=C(CN1CCN(C(=O)[C@@H]2CSC(c3ccccc3)=N2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001618485574 1069566978 /nfs/dbraw/zinc/56/69/78/1069566978.db2.gz VNYZMLKNYMFADB-SJORKVTESA-N 0 0 450.586 -0.004 20 0 JBADRN O=C(CN1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001618485599 1069567059 /nfs/dbraw/zinc/56/70/59/1069567059.db2.gz WICMJQWPFUBYOP-GDBMZVCRSA-N 0 0 452.508 -0.301 20 0 JBADRN O=C(CN1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001618485600 1069566991 /nfs/dbraw/zinc/56/69/91/1069566991.db2.gz WICMJQWPFUBYOP-GOEBONIOSA-N 0 0 452.508 -0.301 20 0 JBADRN O=C(CN1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001618485601 1069566929 /nfs/dbraw/zinc/56/69/29/1069566929.db2.gz WICMJQWPFUBYOP-HOCLYGCPSA-N 0 0 452.508 -0.301 20 0 JBADRN O=C(CN1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001618485602 1069566966 /nfs/dbraw/zinc/56/69/66/1069566966.db2.gz WICMJQWPFUBYOP-ZBFHGGJFSA-N 0 0 452.508 -0.301 20 0 JBADRN COc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(OC)c1OC ZINC001618485626 1069567039 /nfs/dbraw/zinc/56/70/39/1069567039.db2.gz WTMBFMUOSSOUNU-AWEZNQCLSA-N 0 0 455.533 -0.227 20 0 JBADRN COc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(OC)c1OC ZINC001618485627 1069566903 /nfs/dbraw/zinc/56/69/03/1069566903.db2.gz WTMBFMUOSSOUNU-CQSZACIVSA-N 0 0 455.533 -0.227 20 0 JBADRN O=C(CN1CCN(C(=O)c2cnnn2-c2cccc(F)c2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001618485681 1069566914 /nfs/dbraw/zinc/56/69/14/1069566914.db2.gz YDGGPSPNSQQUEH-HNNXBMFYSA-N 0 0 450.496 -0.533 20 0 JBADRN O=C(CN1CCN(C(=O)c2cnnn2-c2cccc(F)c2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001618485682 1069566937 /nfs/dbraw/zinc/56/69/37/1069566937.db2.gz YDGGPSPNSQQUEH-OAHLLOKOSA-N 0 0 450.496 -0.533 20 0 JBADRN O=C(CN1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001618485683 1069567108 /nfs/dbraw/zinc/56/71/08/1069567108.db2.gz YGYFRAWCXCYNKS-KRWDZBQOSA-N 0 0 452.533 -0.640 20 0 JBADRN O=C(CN1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001618485684 1069567159 /nfs/dbraw/zinc/56/71/59/1069567159.db2.gz YGYFRAWCXCYNKS-QGZVFWFLSA-N 0 0 452.533 -0.640 20 0 JBADRN CCOCn1nc(C)c(CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C ZINC001618485692 1069566920 /nfs/dbraw/zinc/56/69/20/1069566920.db2.gz YSFTUCPHYPYRRH-KRWDZBQOSA-N 0 0 455.581 -0.516 20 0 JBADRN CCOCn1nc(C)c(CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C ZINC001618485693 1069567002 /nfs/dbraw/zinc/56/70/02/1069567002.db2.gz YSFTUCPHYPYRRH-QGZVFWFLSA-N 0 0 455.581 -0.516 20 0 JBADRN Cn1nc2c(cc1=O)CN(c1nnc(CN3CCCC3=O)n1CC(=O)NCC(F)(F)F)CC2 ZINC001618486435 1069567151 /nfs/dbraw/zinc/56/71/51/1069567151.db2.gz BJVDHWCYHAGCFR-UHFFFAOYSA-N 0 0 468.440 -0.265 20 0 JBADRN Cn1ncc(CCCn2c(CN3CCCC3=O)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 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CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001618843341 1069591149 /nfs/dbraw/zinc/59/11/49/1069591149.db2.gz YNCOWPYSOPZWCC-UHFFFAOYSA-N 0 0 466.568 -0.697 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001618843355 1069591192 /nfs/dbraw/zinc/59/11/92/1069591192.db2.gz YZXSAANURJGIBO-CYBMUJFWSA-N 0 0 474.547 -0.592 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001618843356 1069591090 /nfs/dbraw/zinc/59/10/90/1069591090.db2.gz YZXSAANURJGIBO-ZDUSSCGKSA-N 0 0 474.547 -0.592 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001618843391 1069590914 /nfs/dbraw/zinc/59/09/14/1069590914.db2.gz ABILHKIVQRNACG-HNNXBMFYSA-N 0 0 453.569 -0.240 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001618843392 1069590867 /nfs/dbraw/zinc/59/08/67/1069590867.db2.gz ABILHKIVQRNACG-OAHLLOKOSA-N 0 0 453.569 -0.240 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 ZINC001618843613 1069591027 /nfs/dbraw/zinc/59/10/27/1069591027.db2.gz GDOVZYHGLHJZGR-CYBMUJFWSA-N 0 0 454.582 -0.048 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 ZINC001618843614 1069590901 /nfs/dbraw/zinc/59/09/01/1069590901.db2.gz GDOVZYHGLHJZGR-ZDUSSCGKSA-N 0 0 454.582 -0.048 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001618843644 1069591164 /nfs/dbraw/zinc/59/11/64/1069591164.db2.gz GWWAYWQJSVTNFI-CYBMUJFWSA-N 0 0 470.625 -0.218 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001618843645 1069590971 /nfs/dbraw/zinc/59/09/71/1069590971.db2.gz GWWAYWQJSVTNFI-ZDUSSCGKSA-N 0 0 470.625 -0.218 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)=O)CC1 ZINC001618843762 1069591133 /nfs/dbraw/zinc/59/11/33/1069591133.db2.gz KDNBOMIABFNENB-UHFFFAOYSA-N 0 0 453.525 -0.386 20 0 JBADRN CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(CO)CC1 ZINC001618843792 1069591180 /nfs/dbraw/zinc/59/11/80/1069591180.db2.gz KXNUCZBHJCPGOR-UHFFFAOYSA-N 0 0 461.548 -0.050 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001618844425 1069590889 /nfs/dbraw/zinc/59/08/89/1069590889.db2.gz CNDVZGUUKQUAAP-CVEARBPZSA-N 0 0 461.610 -0.018 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001618844426 1069590950 /nfs/dbraw/zinc/59/09/50/1069590950.db2.gz CNDVZGUUKQUAAP-HOTGVXAUSA-N 0 0 461.610 -0.018 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001618844427 1069591627 /nfs/dbraw/zinc/59/16/27/1069591627.db2.gz CNDVZGUUKQUAAP-HZPDHXFCSA-N 0 0 461.610 -0.018 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001618844428 1069591721 /nfs/dbraw/zinc/59/17/21/1069591721.db2.gz CNDVZGUUKQUAAP-JKSUJKDBSA-N 0 0 461.610 -0.018 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001618844570 1069591778 /nfs/dbraw/zinc/59/17/78/1069591778.db2.gz GNDVTJXPHJAURA-RKVPGOIHSA-N 0 0 476.625 -0.071 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001618844571 1069591668 /nfs/dbraw/zinc/59/16/68/1069591668.db2.gz GNDVTJXPHJAURA-VKJFTORMSA-N 0 0 476.625 -0.071 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001618844686 1069591605 /nfs/dbraw/zinc/59/16/05/1069591605.db2.gz IWFUYKPRLGCDGA-HNNXBMFYSA-N 0 0 489.624 -0.933 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001618844687 1069591712 /nfs/dbraw/zinc/59/17/12/1069591712.db2.gz IWFUYKPRLGCDGA-OAHLLOKOSA-N 0 0 489.624 -0.933 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001618844698 1069591537 /nfs/dbraw/zinc/59/15/37/1069591537.db2.gz JFSXRKBEBPENJH-HNNXBMFYSA-N 0 0 484.604 -0.238 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001618844699 1069591760 /nfs/dbraw/zinc/59/17/60/1069591760.db2.gz JFSXRKBEBPENJH-OAHLLOKOSA-N 0 0 484.604 -0.238 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001618844710 1069591790 /nfs/dbraw/zinc/59/17/90/1069591790.db2.gz JPDGAZDIAXNKGS-JYJNAYRXSA-N 0 0 492.624 -0.835 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001618844711 1069591640 /nfs/dbraw/zinc/59/16/40/1069591640.db2.gz JPDGAZDIAXNKGS-OAGGEKHMSA-N 0 0 492.624 -0.835 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001618844712 1069591591 /nfs/dbraw/zinc/59/15/91/1069591591.db2.gz JPDGAZDIAXNKGS-PMPSAXMXSA-N 0 0 492.624 -0.835 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001618844713 1069591698 /nfs/dbraw/zinc/59/16/98/1069591698.db2.gz JPDGAZDIAXNKGS-XHSDSOJGSA-N 0 0 492.624 -0.835 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001618844719 1069591680 /nfs/dbraw/zinc/59/16/80/1069591680.db2.gz JRYILDVQTNNGIN-HNNXBMFYSA-N 0 0 478.641 -0.724 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001618844720 1069591619 /nfs/dbraw/zinc/59/16/19/1069591619.db2.gz JRYILDVQTNNGIN-OAHLLOKOSA-N 0 0 478.641 -0.724 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 ZINC001618844768 1069591564 /nfs/dbraw/zinc/59/15/64/1069591564.db2.gz LIJPPJKXLAULAL-HNNXBMFYSA-N 0 0 469.593 -0.549 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 ZINC001618844769 1069591741 /nfs/dbraw/zinc/59/17/41/1069591741.db2.gz LIJPPJKXLAULAL-OAHLLOKOSA-N 0 0 469.593 -0.549 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001618844806 1069591800 /nfs/dbraw/zinc/59/18/00/1069591800.db2.gz MAAYPZDNVGWAFW-CKEIUWERSA-N 0 0 463.582 -0.886 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001618844807 1069591649 /nfs/dbraw/zinc/59/16/49/1069591649.db2.gz MAAYPZDNVGWAFW-CPUCHLNUSA-N 0 0 463.582 -0.886 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001618844808 1069591732 /nfs/dbraw/zinc/59/17/32/1069591732.db2.gz MAAYPZDNVGWAFW-JJRVBVJISA-N 0 0 463.582 -0.886 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001618844809 1069591553 /nfs/dbraw/zinc/59/15/53/1069591553.db2.gz MAAYPZDNVGWAFW-VBQJREDUSA-N 0 0 463.582 -0.886 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(C1)CCOCC2 ZINC001618844819 1069592172 /nfs/dbraw/zinc/59/21/72/1069592172.db2.gz MLWZTSSUYHWQFV-HNNXBMFYSA-N 0 0 492.624 -0.833 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(C1)CCOCC2 ZINC001618844820 1069592397 /nfs/dbraw/zinc/59/23/97/1069592397.db2.gz MLWZTSSUYHWQFV-OAHLLOKOSA-N 0 0 492.624 -0.833 20 0 JBADRN CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001618844854 1069592277 /nfs/dbraw/zinc/59/22/77/1069592277.db2.gz NGEVMPATIPHUOA-UHFFFAOYSA-N 0 0 457.601 -0.411 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F ZINC001618844873 1069592125 /nfs/dbraw/zinc/59/21/25/1069592125.db2.gz NTYAZEKTUPKYRI-LLVKDONJSA-N 0 0 460.529 -0.748 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F ZINC001618844874 1069592113 /nfs/dbraw/zinc/59/21/13/1069592113.db2.gz NTYAZEKTUPKYRI-NSHDSACASA-N 0 0 460.529 -0.748 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 ZINC001618844882 1069592298 /nfs/dbraw/zinc/59/22/98/1069592298.db2.gz OJPUVIHGMFIDPB-CVEARBPZSA-N 0 0 494.640 -0.587 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 ZINC001618844883 1069592104 /nfs/dbraw/zinc/59/21/04/1069592104.db2.gz OJPUVIHGMFIDPB-HOTGVXAUSA-N 0 0 494.640 -0.587 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 ZINC001618844884 1069592158 /nfs/dbraw/zinc/59/21/58/1069592158.db2.gz OJPUVIHGMFIDPB-HZPDHXFCSA-N 0 0 494.640 -0.587 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 ZINC001618844885 1069592222 /nfs/dbraw/zinc/59/22/22/1069592222.db2.gz OJPUVIHGMFIDPB-JKSUJKDBSA-N 0 0 494.640 -0.587 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001618844891 1069592243 /nfs/dbraw/zinc/59/22/43/1069592243.db2.gz OLGFGZGZLZWCBU-ILXRZTDVSA-N 0 0 464.614 -0.358 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001618844892 1069592376 /nfs/dbraw/zinc/59/23/76/1069592376.db2.gz OLGFGZGZLZWCBU-KFWWJZLASA-N 0 0 464.614 -0.358 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001618844893 1069592189 /nfs/dbraw/zinc/59/21/89/1069592189.db2.gz OLGFGZGZLZWCBU-KKUMJFAQSA-N 0 0 464.614 -0.358 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001618844894 1069592204 /nfs/dbraw/zinc/59/22/04/1069592204.db2.gz OLGFGZGZLZWCBU-ZNMIVQPWSA-N 0 0 464.614 -0.358 20 0 JBADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001618844949 1069592328 /nfs/dbraw/zinc/59/23/28/1069592328.db2.gz PNZZJUQCXATDHA-CVEARBPZSA-N 0 0 490.652 -0.581 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001618844950 1069592412 /nfs/dbraw/zinc/59/24/12/1069592412.db2.gz PNZZJUQCXATDHA-HZPDHXFCSA-N 0 0 490.652 -0.581 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001618844958 1069592067 /nfs/dbraw/zinc/59/20/67/1069592067.db2.gz PPXLSJJELOVLIL-ILXRZTDVSA-N 0 0 464.614 -0.215 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001618844959 1069592263 /nfs/dbraw/zinc/59/22/63/1069592263.db2.gz PPXLSJJELOVLIL-KFWWJZLASA-N 0 0 464.614 -0.215 20 0 JBADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001618844960 1069592077 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COc1cc(-c2nnc(N3CCNC(=O)C3)n2CCN2CCCS2(=O)=O)cc(OC)c1OC ZINC001619083168 1069603287 /nfs/dbraw/zinc/60/32/87/1069603287.db2.gz BYFVNNKWSNHXRN-UHFFFAOYSA-N 0 0 480.547 -0.057 20 0 JBADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)ccc1OCCO ZINC001619094957 1069603412 /nfs/dbraw/zinc/60/34/12/1069603412.db2.gz HCRKURNIIGYCGB-AWEZNQCLSA-N 0 0 482.563 -0.405 20 0 JBADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)ccc1OCCO ZINC001619094958 1069603482 /nfs/dbraw/zinc/60/34/82/1069603482.db2.gz HCRKURNIIGYCGB-CQSZACIVSA-N 0 0 482.563 -0.405 20 0 JBADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)CC2)ccc1OCCO ZINC001619095571 1069603541 /nfs/dbraw/zinc/60/35/41/1069603541.db2.gz YVCXOXYGGAMGCA-AWEZNQCLSA-N 0 0 487.604 -0.115 20 0 JBADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)CC2)ccc1OCCO ZINC001619095572 1069603491 /nfs/dbraw/zinc/60/34/91/1069603491.db2.gz YVCXOXYGGAMGCA-CQSZACIVSA-N 0 0 487.604 -0.115 20 0 JBADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)ccc1OCCO ZINC001619095584 1069603310 /nfs/dbraw/zinc/60/33/10/1069603310.db2.gz ZABCPNOJCDDQNQ-HNNXBMFYSA-N 0 0 496.590 -0.015 20 0 JBADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)ccc1OCCO ZINC001619095585 1069604215 /nfs/dbraw/zinc/60/42/15/1069604215.db2.gz ZABCPNOJCDDQNQ-OAHLLOKOSA-N 0 0 496.590 -0.015 20 0 JBADRN COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)ccc1OCCO ZINC001619098171 1069604152 /nfs/dbraw/zinc/60/41/52/1069604152.db2.gz WCKKKXSEYKJVON-INIZCTEOSA-N 0 0 494.574 -0.261 20 0 JBADRN COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)ccc1OCCO ZINC001619098172 1069604083 /nfs/dbraw/zinc/60/40/83/1069604083.db2.gz WCKKKXSEYKJVON-MRXNPFEDSA-N 0 0 494.574 -0.261 20 0 JBADRN COc1cc(F)cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001619116841 1069604227 /nfs/dbraw/zinc/60/42/27/1069604227.db2.gz DLDBRRBTMVMKKU-HNNXBMFYSA-N 0 0 459.482 -0.241 20 0 JBADRN COc1cc(F)cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001619116842 1069604145 /nfs/dbraw/zinc/60/41/45/1069604145.db2.gz DLDBRRBTMVMKKU-OAHLLOKOSA-N 0 0 459.482 -0.241 20 0 JBADRN COc1cc(OC)cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC(=O)N2CCOCC2)c1 ZINC001619135410 1069604185 /nfs/dbraw/zinc/60/41/85/1069604185.db2.gz HUKKPMLCJIHLSI-UHFFFAOYSA-N 0 0 494.574 -0.097 20 0 JBADRN COc1cc(OC)cc(-c2nnc(N3CCNC(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001619136146 1069604280 /nfs/dbraw/zinc/60/42/80/1069604280.db2.gz UDUIVEBXOPWERM-IBGZPJMESA-N 0 0 451.505 -0.552 20 0 JBADRN COc1cc(OC)cc(-c2nnc(N3CCNC(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001619136147 1069604109 /nfs/dbraw/zinc/60/41/09/1069604109.db2.gz UDUIVEBXOPWERM-LJQANCHMSA-N 0 0 451.505 -0.552 20 0 JBADRN COc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2CCN2CCCS2(=O)=O)cc1 ZINC001619174651 1069604267 /nfs/dbraw/zinc/60/42/67/1069604267.db2.gz GOERZGJBMORXMF-UHFFFAOYSA-N 0 0 472.593 -0.025 20 0 JBADRN COc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CCNS(C)(=O)=O)cc1 ZINC001619205595 1069604349 /nfs/dbraw/zinc/60/43/49/1069604349.db2.gz PNJTUUJEUWYKHB-UHFFFAOYSA-N 0 0 493.590 -0.324 20 0 JBADRN COc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCNS(C)(=O)=O)c(OC)c1 ZINC001619208868 1069604322 /nfs/dbraw/zinc/60/43/22/1069604322.db2.gz ZBKTUWNYITTXDV-UHFFFAOYSA-N 0 0 495.606 -0.278 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCS(C)(=O)=O)c(OC)c1 ZINC001619209890 1069604097 /nfs/dbraw/zinc/60/40/97/1069604097.db2.gz JUQYBOZOVKXNDF-CYBMUJFWSA-N 0 0 478.531 -0.846 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCS(C)(=O)=O)c(OC)c1 ZINC001619209891 1069604288 /nfs/dbraw/zinc/60/42/88/1069604288.db2.gz JUQYBOZOVKXNDF-ZDUSSCGKSA-N 0 0 478.531 -0.846 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 ZINC001619210124 1069604198 /nfs/dbraw/zinc/60/41/98/1069604198.db2.gz PJBSLFWKKZAZTD-CYBMUJFWSA-N 0 0 463.445 -0.518 20 0 JBADRN COc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC(=O)NCC(F)F)cc1 ZINC001619210125 1069604336 /nfs/dbraw/zinc/60/43/36/1069604336.db2.gz PJBSLFWKKZAZTD-ZDUSSCGKSA-N 0 0 463.445 -0.518 20 0 JBADRN COc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2CCNS(C)(=O)=O)c(OC)c1 ZINC001619213384 1069604255 /nfs/dbraw/zinc/60/42/55/1069604255.db2.gz RDGQTXZHKHZHPS-INIZCTEOSA-N 0 0 482.563 -0.147 20 0 JBADRN COc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2CCNS(C)(=O)=O)c(OC)c1 ZINC001619213385 1069604127 /nfs/dbraw/zinc/60/41/27/1069604127.db2.gz RDGQTXZHKHZHPS-MRXNPFEDSA-N 0 0 482.563 -0.147 20 0 JBADRN COc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001619214987 1069604240 /nfs/dbraw/zinc/60/42/40/1069604240.db2.gz ISNHCBGWOFYUBV-GOSISDBHSA-N 0 0 456.546 -0.262 20 0 JBADRN COc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001619214988 1069604169 /nfs/dbraw/zinc/60/41/69/1069604169.db2.gz ISNHCBGWOFYUBV-SFHVURJKSA-N 0 0 456.546 -0.262 20 0 JBADRN COc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCNS(C)(=O)=O)cc1OC ZINC001619215438 1069604906 /nfs/dbraw/zinc/60/49/06/1069604906.db2.gz WLUGZGXTWMIKNA-UHFFFAOYSA-N 0 0 459.550 -0.254 20 0 JBADRN COc1ccc(CCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCS(C)(=O)=O)cc1 ZINC001619238615 1069604951 /nfs/dbraw/zinc/60/49/51/1069604951.db2.gz CZTFUHLICJWCGS-INIZCTEOSA-N 0 0 476.559 -0.737 20 0 JBADRN COc1ccc(CCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCS(C)(=O)=O)cc1 ZINC001619238616 1069604988 /nfs/dbraw/zinc/60/49/88/1069604988.db2.gz CZTFUHLICJWCGS-MRXNPFEDSA-N 0 0 476.559 -0.737 20 0 JBADRN COc1ccc(CCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC(=O)N(C)C)cc1 ZINC001619238920 1069604927 /nfs/dbraw/zinc/60/49/27/1069604927.db2.gz OILNSIVJUWOQQW-INIZCTEOSA-N 0 0 455.519 -0.693 20 0 JBADRN COc1ccc(CCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC(=O)N(C)C)cc1 ZINC001619238921 1069604997 /nfs/dbraw/zinc/60/49/97/1069604997.db2.gz OILNSIVJUWOQQW-MRXNPFEDSA-N 0 0 455.519 -0.693 20 0 JBADRN COc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC001619245534 1069604918 /nfs/dbraw/zinc/60/49/18/1069604918.db2.gz JOUYROSRBUTNHA-INIZCTEOSA-N 0 0 455.519 -0.185 20 0 JBADRN COc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC001619245535 1069605015 /nfs/dbraw/zinc/60/50/15/1069605015.db2.gz JOUYROSRBUTNHA-MRXNPFEDSA-N 0 0 455.519 -0.185 20 0 JBADRN COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC001619246062 1069604968 /nfs/dbraw/zinc/60/49/68/1069604968.db2.gz GZSIJULBIVVLEM-GDBMZVCRSA-N 0 0 491.574 -0.713 20 0 JBADRN COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC001619246063 1069604840 /nfs/dbraw/zinc/60/48/40/1069604840.db2.gz GZSIJULBIVVLEM-GOEBONIOSA-N 0 0 491.574 -0.713 20 0 JBADRN COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC001619246064 1069604853 /nfs/dbraw/zinc/60/48/53/1069604853.db2.gz GZSIJULBIVVLEM-HOCLYGCPSA-N 0 0 491.574 -0.713 20 0 JBADRN COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC001619246065 1069604961 /nfs/dbraw/zinc/60/49/61/1069604961.db2.gz GZSIJULBIVVLEM-ZBFHGGJFSA-N 0 0 491.574 -0.713 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)c(OC)n1 ZINC001619272820 1069604941 /nfs/dbraw/zinc/60/49/41/1069604941.db2.gz PDBXPFSSSACAQR-GFCCVEGCSA-N 0 0 453.525 -0.373 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)c(OC)n1 ZINC001619272821 1069605005 /nfs/dbraw/zinc/60/50/05/1069605005.db2.gz PDBXPFSSSACAQR-LBPRGKRZSA-N 0 0 453.525 -0.373 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(=O)NC3CC3)CC2)cn1 ZINC001619272836 1069604980 /nfs/dbraw/zinc/60/49/80/1069604980.db2.gz PNRNMBOUCQCRIO-HNNXBMFYSA-N 0 0 492.606 -0.259 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(=O)NC3CC3)CC2)cn1 ZINC001619272837 1069604820 /nfs/dbraw/zinc/60/48/20/1069604820.db2.gz PNRNMBOUCQCRIO-OAHLLOKOSA-N 0 0 492.606 -0.259 20 0 JBADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(S(C)(=O)=O)CC2)cn1 ZINC001619273140 1069604892 /nfs/dbraw/zinc/60/48/92/1069604892.db2.gz XTHZGVQSPVFJSB-AWEZNQCLSA-N 0 0 487.608 -0.188 20 0 JBADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(S(C)(=O)=O)CC2)cn1 ZINC001619273141 1069605032 /nfs/dbraw/zinc/60/50/32/1069605032.db2.gz XTHZGVQSPVFJSB-CQSZACIVSA-N 0 0 487.608 -0.188 20 0 JBADRN COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)cc1O ZINC001619284258 1069605690 /nfs/dbraw/zinc/60/56/90/1069605690.db2.gz DRPWTAKQRPUEBS-KRWDZBQOSA-N 0 0 485.588 -0.058 20 0 JBADRN COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)cc1O ZINC001619284259 1069605780 /nfs/dbraw/zinc/60/57/80/1069605780.db2.gz DRPWTAKQRPUEBS-QGZVFWFLSA-N 0 0 485.588 -0.058 20 0 JBADRN COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@H](C)C2)cn1 ZINC001619285238 1069605716 /nfs/dbraw/zinc/60/57/16/1069605716.db2.gz WYBGBPDATLIEGV-GDBMZVCRSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC001619285240 1069605787 /nfs/dbraw/zinc/60/57/87/1069605787.db2.gz WYBGBPDATLIEGV-GOEBONIOSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC001619285242 1069605750 /nfs/dbraw/zinc/60/57/50/1069605750.db2.gz WYBGBPDATLIEGV-HOCLYGCPSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(=O)N(C)[C@H](C)C2)cn1 ZINC001619285244 1069605824 /nfs/dbraw/zinc/60/58/24/1069605824.db2.gz WYBGBPDATLIEGV-ZBFHGGJFSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCNS(C)(=O)=O)cc1 ZINC001619322709 1069605641 /nfs/dbraw/zinc/60/56/41/1069605641.db2.gz SYAOGMAFAGEUGS-UHFFFAOYSA-N 0 0 488.592 -0.504 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC(=O)N(C)C)cc1 ZINC001619323195 1069605725 /nfs/dbraw/zinc/60/57/25/1069605725.db2.gz ZERLOFZDHBORPH-AWEZNQCLSA-N 0 0 457.491 -0.899 20 0 JBADRN COc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC(=O)N(C)C)cc1 ZINC001619323200 1069605799 /nfs/dbraw/zinc/60/57/99/1069605799.db2.gz ZERLOFZDHBORPH-CQSZACIVSA-N 0 0 457.491 -0.899 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)c1 ZINC001619329835 1069605763 /nfs/dbraw/zinc/60/57/63/1069605763.db2.gz INAKRMBGTFDYKL-CABCVRRESA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC001619329836 1069605699 /nfs/dbraw/zinc/60/56/99/1069605699.db2.gz INAKRMBGTFDYKL-GJZGRUSLSA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)c1 ZINC001619329837 1069605793 /nfs/dbraw/zinc/60/57/93/1069605793.db2.gz INAKRMBGTFDYKL-HUUCEWRRSA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC001619329838 1069605708 /nfs/dbraw/zinc/60/57/08/1069605708.db2.gz INAKRMBGTFDYKL-LSDHHAIUSA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@@H]2C)c1 ZINC001619330344 1069605734 /nfs/dbraw/zinc/60/57/34/1069605734.db2.gz ZRYODOSMTBXGMB-CABCVRRESA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@@H]2C)c1 ZINC001619330345 1069605818 /nfs/dbraw/zinc/60/58/18/1069605818.db2.gz ZRYODOSMTBXGMB-GJZGRUSLSA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@H]2C)c1 ZINC001619330346 1069605773 /nfs/dbraw/zinc/60/57/73/1069605773.db2.gz ZRYODOSMTBXGMB-HUUCEWRRSA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@H]2C)c1 ZINC001619330347 1069605680 /nfs/dbraw/zinc/60/56/80/1069605680.db2.gz ZRYODOSMTBXGMB-LSDHHAIUSA-N 0 0 493.590 -0.006 20 0 JBADRN COc1cccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001619351584 1069606398 /nfs/dbraw/zinc/60/63/98/1069606398.db2.gz VETTYJKXANLFFU-FQEVSTJZSA-N 0 0 499.615 -0.025 20 0 JBADRN COc1cccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001619351585 1069606288 /nfs/dbraw/zinc/60/62/88/1069606288.db2.gz VETTYJKXANLFFU-HXUWFJFHSA-N 0 0 499.615 -0.025 20 0 JBADRN COc1cccc(-c2nnc(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)n2CCC(=O)N(C)C)c1 ZINC001619352216 1069606390 /nfs/dbraw/zinc/60/63/90/1069606390.db2.gz STCDXGPNUIUONM-UHFFFAOYSA-N 0 0 499.572 -0.061 20 0 JBADRN COc1cccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CCNS(C)(=O)=O)c1 ZINC001619353943 1069606364 /nfs/dbraw/zinc/60/63/64/1069606364.db2.gz YZOZHDFTDIVJBD-UHFFFAOYSA-N 0 0 477.591 -0.097 20 0 JBADRN COc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001619361504 1069606246 /nfs/dbraw/zinc/60/62/46/1069606246.db2.gz IFVHOCOGFLCURE-GDBMZVCRSA-N 0 0 491.574 -0.713 20 0 JBADRN COc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001619361505 1069606358 /nfs/dbraw/zinc/60/63/58/1069606358.db2.gz IFVHOCOGFLCURE-GOEBONIOSA-N 0 0 491.574 -0.713 20 0 JBADRN COc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001619361506 1069606402 /nfs/dbraw/zinc/60/64/02/1069606402.db2.gz IFVHOCOGFLCURE-HOCLYGCPSA-N 0 0 491.574 -0.713 20 0 JBADRN COc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001619361507 1069606295 /nfs/dbraw/zinc/60/62/95/1069606295.db2.gz IFVHOCOGFLCURE-ZBFHGGJFSA-N 0 0 491.574 -0.713 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC(=O)NC(C)C ZINC001619397655 1069606330 /nfs/dbraw/zinc/60/63/30/1069606330.db2.gz VVNXMZGTVGVUTO-UHFFFAOYSA-N 0 0 499.572 -0.014 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCC(=O)N(C)C ZINC001619397916 1069606266 /nfs/dbraw/zinc/60/62/66/1069606266.db2.gz DNJRNBFWMUTLHA-HNNXBMFYSA-N 0 0 455.519 -0.031 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCC(=O)N(C)C ZINC001619397917 1069606352 /nfs/dbraw/zinc/60/63/52/1069606352.db2.gz DNJRNBFWMUTLHA-OAHLLOKOSA-N 0 0 455.519 -0.031 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCS(C)(=O)=O ZINC001619398451 1069606375 /nfs/dbraw/zinc/60/63/75/1069606375.db2.gz NEPRXYNWKBNHOW-AWEZNQCLSA-N 0 0 462.532 -0.465 20 0 JBADRN COc1ccccc1-c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCS(C)(=O)=O ZINC001619398452 1069606339 /nfs/dbraw/zinc/60/63/39/1069606339.db2.gz NEPRXYNWKBNHOW-CQSZACIVSA-N 0 0 462.532 -0.465 20 0 JBADRN COc1ccccc1-c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCNS(C)(=O)=O ZINC001619400444 1069606255 /nfs/dbraw/zinc/60/62/55/1069606255.db2.gz RLHMGAAJDWKNCU-HNNXBMFYSA-N 0 0 452.537 -0.156 20 0 JBADRN COc1ccccc1-c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCNS(C)(=O)=O ZINC001619400445 1069606370 /nfs/dbraw/zinc/60/63/70/1069606370.db2.gz RLHMGAAJDWKNCU-OAHLLOKOSA-N 0 0 452.537 -0.156 20 0 JBADRN COc1ccccc1Cc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCNS(C)(=O)=O ZINC001619418410 1069606314 /nfs/dbraw/zinc/60/63/14/1069606314.db2.gz STRITLQJNWJUQO-UHFFFAOYSA-N 0 0 491.574 -0.053 20 0 JBADRN COc1ccccc1Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC(=O)N(C)C ZINC001619421200 1069606345 /nfs/dbraw/zinc/60/63/45/1069606345.db2.gz DUEBOLAEAVEICU-UHFFFAOYSA-N 0 0 485.589 -0.054 20 0 JBADRN COc1ccccc1Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCNS(C)(=O)=O ZINC001619422265 1069606260 /nfs/dbraw/zinc/60/62/60/1069606260.db2.gz PRFYWGLTAGOLIE-UHFFFAOYSA-N 0 0 479.607 -0.363 20 0 JBADRN COc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001619429264 1069607049 /nfs/dbraw/zinc/60/70/49/1069607049.db2.gz YKKSOJQEUWYTQU-KRWDZBQOSA-N 0 0 464.548 -0.202 20 0 JBADRN COc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001619429265 1069607018 /nfs/dbraw/zinc/60/70/18/1069607018.db2.gz YKKSOJQEUWYTQU-QGZVFWFLSA-N 0 0 464.548 -0.202 20 0 JBADRN COc1ccccc1OCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCS(C)(=O)=O ZINC001619454262 1069607035 /nfs/dbraw/zinc/60/70/35/1069607035.db2.gz USPSFEVKLIHWSQ-AWEZNQCLSA-N 0 0 478.531 -0.943 20 0 JBADRN COc1ccccc1OCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCS(C)(=O)=O ZINC001619454269 1069607011 /nfs/dbraw/zinc/60/70/11/1069607011.db2.gz USPSFEVKLIHWSQ-CQSZACIVSA-N 0 0 478.531 -0.943 20 0 JBADRN COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001619468737 1069606963 /nfs/dbraw/zinc/60/69/63/1069606963.db2.gz WKFAXDOBVNTWQM-UHFFFAOYSA-N 0 0 470.534 -0.205 20 0 JBADRN COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001619471706 1069607038 /nfs/dbraw/zinc/60/70/38/1069607038.db2.gz KRZDAYHECXUSDQ-INIZCTEOSA-N 0 0 465.536 -0.659 20 0 JBADRN COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001619471709 1069606926 /nfs/dbraw/zinc/60/69/26/1069606926.db2.gz KRZDAYHECXUSDQ-MRXNPFEDSA-N 0 0 465.536 -0.659 20 0 JBADRN COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001619472099 1069607056 /nfs/dbraw/zinc/60/70/56/1069607056.db2.gz QANQGTKQWUYAJW-INIZCTEOSA-N 0 0 470.577 -0.368 20 0 JBADRN COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001619472105 1069606949 /nfs/dbraw/zinc/60/69/49/1069606949.db2.gz QANQGTKQWUYAJW-MRXNPFEDSA-N 0 0 470.577 -0.368 20 0 JBADRN COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001619474218 1069606971 /nfs/dbraw/zinc/60/69/71/1069606971.db2.gz UFEFGTYFKWDUDU-GXTWGEPZSA-N 0 0 451.509 -0.019 20 0 JBADRN COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001619474219 1069607071 /nfs/dbraw/zinc/60/70/71/1069607071.db2.gz UFEFGTYFKWDUDU-JSGCOSHPSA-N 0 0 451.509 -0.019 20 0 JBADRN COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001619474220 1069606978 /nfs/dbraw/zinc/60/69/78/1069606978.db2.gz UFEFGTYFKWDUDU-OCCSQVGLSA-N 0 0 451.509 -0.019 20 0 JBADRN COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001619474221 1069607077 /nfs/dbraw/zinc/60/70/77/1069607077.db2.gz UFEFGTYFKWDUDU-TZMCWYRMSA-N 0 0 451.509 -0.019 20 0 JBADRN COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001619474344 1069606987 /nfs/dbraw/zinc/60/69/87/1069606987.db2.gz YGUITSUMNPNBQN-AWEZNQCLSA-N 0 0 487.608 -0.188 20 0 JBADRN COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001619474345 1069607052 /nfs/dbraw/zinc/60/70/52/1069607052.db2.gz YGUITSUMNPNBQN-CQSZACIVSA-N 0 0 487.608 -0.188 20 0 JBADRN COc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001619475460 1069606942 /nfs/dbraw/zinc/60/69/42/1069606942.db2.gz LBXTWFOYNAESME-GDBMZVCRSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001619475461 1069607025 /nfs/dbraw/zinc/60/70/25/1069607025.db2.gz LBXTWFOYNAESME-GOEBONIOSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001619475462 1069607061 /nfs/dbraw/zinc/60/70/61/1069607061.db2.gz LBXTWFOYNAESME-HOCLYGCPSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001619475463 1069606981 /nfs/dbraw/zinc/60/69/81/1069606981.db2.gz LBXTWFOYNAESME-ZBFHGGJFSA-N 0 0 479.563 -0.270 20 0 JBADRN COc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001619475658 1069607692 /nfs/dbraw/zinc/60/76/92/1069607692.db2.gz PSVMSOSFOYOHOU-HNNXBMFYSA-N 0 0 465.536 -0.611 20 0 JBADRN COc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001619475659 1069607635 /nfs/dbraw/zinc/60/76/35/1069607635.db2.gz PSVMSOSFOYOHOU-OAHLLOKOSA-N 0 0 465.536 -0.611 20 0 JBADRN COc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(C)(=O)=O ZINC001619475726 1069607681 /nfs/dbraw/zinc/60/76/81/1069607681.db2.gz RLZGOBFPPJAJIQ-AWEZNQCLSA-N 0 0 458.566 -0.383 20 0 JBADRN COc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(C)(=O)=O ZINC001619475727 1069607600 /nfs/dbraw/zinc/60/76/00/1069607600.db2.gz RLZGOBFPPJAJIQ-CQSZACIVSA-N 0 0 458.566 -0.383 20 0 JBADRN CO[C@@H]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001619484985 1069607740 /nfs/dbraw/zinc/60/77/40/1069607740.db2.gz HSXOWISJWYVEOI-QLFBSQMISA-N 0 0 464.614 -0.215 20 0 JBADRN 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ZINC001620079671 1069654204 /nfs/dbraw/zinc/65/42/04/1069654204.db2.gz CCLROBYXDBMADV-CVEARBPZSA-N 0 0 472.568 -0.915 20 0 JBADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001620079672 1069654227 /nfs/dbraw/zinc/65/42/27/1069654227.db2.gz CCLROBYXDBMADV-HOTGVXAUSA-N 0 0 472.568 -0.915 20 0 JBADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001620079673 1069654256 /nfs/dbraw/zinc/65/42/56/1069654256.db2.gz CCLROBYXDBMADV-HZPDHXFCSA-N 0 0 472.568 -0.915 20 0 JBADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001620079674 1069654265 /nfs/dbraw/zinc/65/42/65/1069654265.db2.gz CCLROBYXDBMADV-JKSUJKDBSA-N 0 0 472.568 -0.915 20 0 JBADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001620080053 1069654219 /nfs/dbraw/zinc/65/42/19/1069654219.db2.gz MNOGXYIDGFBENJ-KRWDZBQOSA-N 0 0 488.611 -0.421 20 0 JBADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001620080054 1069654224 /nfs/dbraw/zinc/65/42/24/1069654224.db2.gz MNOGXYIDGFBENJ-QGZVFWFLSA-N 0 0 488.611 -0.421 20 0 JBADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001620080112 1069654195 /nfs/dbraw/zinc/65/41/95/1069654195.db2.gz NZZCRUVHUFMWOY-APWZRJJASA-N 0 0 459.569 -0.109 20 0 JBADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001620080113 1069654250 /nfs/dbraw/zinc/65/42/50/1069654250.db2.gz NZZCRUVHUFMWOY-LPHOPBHVSA-N 0 0 459.569 -0.109 20 0 JBADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001620080114 1069654242 /nfs/dbraw/zinc/65/42/42/1069654242.db2.gz NZZCRUVHUFMWOY-QFBILLFUSA-N 0 0 459.569 -0.109 20 0 JBADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001620080115 1069654214 /nfs/dbraw/zinc/65/42/14/1069654214.db2.gz NZZCRUVHUFMWOY-VQIMIIECSA-N 0 0 459.569 -0.109 20 0 JBADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001620080204 1069654248 /nfs/dbraw/zinc/65/42/48/1069654248.db2.gz QTOFUXNKOAEDJI-DLBZAZTESA-N 0 0 474.584 -0.621 20 0 JBADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001620080205 1069654986 /nfs/dbraw/zinc/65/49/86/1069654986.db2.gz QTOFUXNKOAEDJI-IAGOWNOFSA-N 0 0 474.584 -0.621 20 0 JBADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001620080206 1069654935 /nfs/dbraw/zinc/65/49/35/1069654935.db2.gz QTOFUXNKOAEDJI-IRXDYDNUSA-N 0 0 474.584 -0.621 20 0 JBADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001620080207 1069654897 /nfs/dbraw/zinc/65/48/97/1069654897.db2.gz QTOFUXNKOAEDJI-SJORKVTESA-N 0 0 474.584 -0.621 20 0 JBADRN COCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001620082067 1069654847 /nfs/dbraw/zinc/65/48/47/1069654847.db2.gz UHMVCDOZURVGHE-OALUTQOASA-N 0 0 494.593 -0.064 20 0 JBADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001620084558 1069654971 /nfs/dbraw/zinc/65/49/71/1069654971.db2.gz DFBAMKKIRODHML-JIYIMXKPSA-N 0 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ZINC001640191346 1069810404 /nfs/dbraw/zinc/81/04/04/1069810404.db2.gz FLIQGAGGLMWLEA-BQFCYCMXSA-N 0 0 459.590 -0.564 20 0 JBADRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001640191347 1069809990 /nfs/dbraw/zinc/80/99/90/1069809990.db2.gz FLIQGAGGLMWLEA-JZXOWHBKSA-N 0 0 459.590 -0.564 20 0 JBADRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001640191348 1069810619 /nfs/dbraw/zinc/81/06/19/1069810619.db2.gz FLIQGAGGLMWLEA-NUJGCVRESA-N 0 0 459.590 -0.564 20 0 JBADRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001640191349 1069810086 /nfs/dbraw/zinc/81/00/86/1069810086.db2.gz FLIQGAGGLMWLEA-RYRKJORJSA-N 0 0 459.590 -0.564 20 0 JBADRN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)C(OC)OC)CC2)cc1 ZINC001640220731 1069811317 /nfs/dbraw/zinc/81/13/17/1069811317.db2.gz VOUGQWXOXPXPJU-UHFFFAOYSA-N 0 0 457.505 -0.569 20 0 JBADRN COC(OC)C(=O)N1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 ZINC001640225431 1069811344 /nfs/dbraw/zinc/81/13/44/1069811344.db2.gz NVJLSZVUFIRBOK-ZDUSSCGKSA-N 0 0 451.542 -0.396 20 0 JBADRN NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC001640226454 1069811061 /nfs/dbraw/zinc/81/10/61/1069811061.db2.gz VSEVDWVVTBJZMY-CYBMUJFWSA-N 0 0 452.411 -0.379 20 0 JBADRN NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC001640226455 1069811231 /nfs/dbraw/zinc/81/12/31/1069811231.db2.gz VSEVDWVVTBJZMY-ZDUSSCGKSA-N 0 0 452.411 -0.379 20 0 JBADRN CN(C)S(=O)(=O)NCCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC001640266958 1069811413 /nfs/dbraw/zinc/81/14/13/1069811413.db2.gz RTQNNNBLSJIXEJ-UHFFFAOYSA-N 0 0 454.521 -0.122 20 0 JBADRN COc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3cn(C)cn3)C2=O)c(OC)c1 ZINC001640284651 1069811187 /nfs/dbraw/zinc/81/11/87/1069811187.db2.gz HELOKMASJARZHA-HNNXBMFYSA-N 0 0 451.505 -0.367 20 0 JBADRN COc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3cn(C)cn3)C2=O)c(OC)c1 ZINC001640284652 1069810943 /nfs/dbraw/zinc/81/09/43/1069810943.db2.gz HELOKMASJARZHA-OAHLLOKOSA-N 0 0 451.505 -0.367 20 0 JBADRN COc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3cnn(C)c3)C2=O)c(OC)c1 ZINC001640285779 1069811035 /nfs/dbraw/zinc/81/10/35/1069811035.db2.gz WLSPGEWPWRKFOO-INIZCTEOSA-N 0 0 451.505 -0.367 20 0 JBADRN COc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3cnn(C)c3)C2=O)c(OC)c1 ZINC001640285780 1069811169 /nfs/dbraw/zinc/81/11/69/1069811169.db2.gz WLSPGEWPWRKFOO-MRXNPFEDSA-N 0 0 451.505 -0.367 20 0 JBADRN NC(=O)N1CC[C@@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001640288284 1069811208 /nfs/dbraw/zinc/81/12/08/1069811208.db2.gz QGVWOXGTHDLXCX-INIZCTEOSA-N 0 0 451.549 -0.184 20 0 JBADRN NC(=O)N1CC[C@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001640288293 1069810911 /nfs/dbraw/zinc/81/09/11/1069810911.db2.gz QGVWOXGTHDLXCX-MRXNPFEDSA-N 0 0 451.549 -0.184 20 0 JBADRN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC001640288981 1069811282 /nfs/dbraw/zinc/81/12/82/1069811282.db2.gz WNVGVMYACXASJO-BXUZGUMPSA-N 0 0 457.452 -0.177 20 0 JBADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(CC(F)(F)CO)CC2)c1 ZINC001640339455 1069810858 /nfs/dbraw/zinc/81/08/58/1069810858.db2.gz SNNQECOJEWRKDU-UHFFFAOYSA-N 0 0 450.508 -0.349 20 0 JBADRN Cn1cc([C@@H]2[C@@H](C(=O)NCCNC(=O)c3ccc(Br)cn3)[C@@H](O)C(=O)N2C)cn1 ZINC001640369405 1069811012 /nfs/dbraw/zinc/81/10/12/1069811012.db2.gz IANQJPAVFOFAFY-RBSFLKMASA-N 0 0 465.308 -0.386 20 0 JBADRN Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)CCC(=O)N1CCN(c3ccccn3)CC1)C2 ZINC001640374165 1069811590 /nfs/dbraw/zinc/81/15/90/1069811590.db2.gz FGRFGWAYKQIDME-KRWDZBQOSA-N 0 0 454.535 -0.090 20 0 JBADRN Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)CCC(=O)N1CCN(c3ccccn3)CC1)C2 ZINC001640374166 1069811925 /nfs/dbraw/zinc/81/19/25/1069811925.db2.gz FGRFGWAYKQIDME-QGZVFWFLSA-N 0 0 454.535 -0.090 20 0 JBADRN CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@](C)(O)Cn2ccccc2=O)CC3)CC1 ZINC001640391316 1069811829 /nfs/dbraw/zinc/81/18/29/1069811829.db2.gz GXFIJEMRTVADSS-GAJHUEQPSA-N 0 0 456.547 -0.438 20 0 JBADRN CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@](C)(O)Cn2ccccc2=O)CC3)CC1 ZINC001640391317 1069812240 /nfs/dbraw/zinc/81/22/40/1069812240.db2.gz GXFIJEMRTVADSS-HXOBKFHXSA-N 0 0 456.547 -0.438 20 0 JBADRN CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@](C)(O)Cn2ccccc2=O)CC3)CC1 ZINC001640391318 1069811737 /nfs/dbraw/zinc/81/17/37/1069811737.db2.gz GXFIJEMRTVADSS-SBUREZEXSA-N 0 0 456.547 -0.438 20 0 JBADRN CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@](C)(O)Cn2ccccc2=O)CC3)CC1 ZINC001640391319 1069812049 /nfs/dbraw/zinc/81/20/49/1069812049.db2.gz GXFIJEMRTVADSS-UZUQRXQVSA-N 0 0 456.547 -0.438 20 0 JBADRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 ZINC001640395784 1069812029 /nfs/dbraw/zinc/81/20/29/1069812029.db2.gz YCAHKTHACRAYAG-AEFFLSMTSA-N 0 0 452.533 -0.102 20 0 JBADRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 ZINC001640395786 1069812110 /nfs/dbraw/zinc/81/21/10/1069812110.db2.gz YCAHKTHACRAYAG-FUHWJXTLSA-N 0 0 452.533 -0.102 20 0 JBADRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 ZINC001640395788 1069812284 /nfs/dbraw/zinc/81/22/84/1069812284.db2.gz YCAHKTHACRAYAG-SJLPKXTDSA-N 0 0 452.533 -0.102 20 0 JBADRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 ZINC001640395790 1069811872 /nfs/dbraw/zinc/81/18/72/1069811872.db2.gz YCAHKTHACRAYAG-WMZOPIPTSA-N 0 0 452.533 -0.102 20 0 JBADRN COC(=O)[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C[C@@H](C)O1 ZINC001640473131 1069811638 /nfs/dbraw/zinc/81/16/38/1069811638.db2.gz NYVKOGQSQIPKFY-KDOFPFPSSA-N 0 0 453.517 -0.058 20 0 JBADRN CS(=O)(=O)NCC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC001640479579 1069811708 /nfs/dbraw/zinc/81/17/08/1069811708.db2.gz MEWUYPREIKTUKL-UHFFFAOYSA-N 0 0 458.562 -0.792 20 0 JBADRN COCCOCCN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001640511325 1069811978 /nfs/dbraw/zinc/81/19/78/1069811978.db2.gz DKKUFJKQWILZGU-INIZCTEOSA-N 0 0 454.549 -0.506 20 0 JBADRN COCCOCCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001640511326 1069811779 /nfs/dbraw/zinc/81/17/79/1069811779.db2.gz DKKUFJKQWILZGU-MRXNPFEDSA-N 0 0 454.549 -0.506 20 0 JBADRN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC(N2CCOCC2)C1 ZINC001640529109 1069811665 /nfs/dbraw/zinc/81/16/65/1069811665.db2.gz PMADUGYSZBTVNF-UHFFFAOYSA-N 0 0 450.561 -0.157 20 0 JBADRN CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC001640563957 1069812128 /nfs/dbraw/zinc/81/21/28/1069812128.db2.gz HCOQODSZZZLROI-UHFFFAOYSA-N 0 0 457.505 -0.073 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC4(C3)NC(=O)NC4=O)CC2)cc1OC ZINC001640575062 1069812214 /nfs/dbraw/zinc/81/22/14/1069812214.db2.gz FQJLDFLLHXVVDL-UHFFFAOYSA-N 0 0 452.489 -0.475 20 0 JBADRN CNS(=O)(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC001640575554 1069811895 /nfs/dbraw/zinc/81/18/95/1069811895.db2.gz CQGNDJOKOFHXQJ-NSHDSACASA-N 0 0 458.484 -0.019 20 0 JBADRN Cc1c(NC(=O)CSCC(=O)N2CC3(C2)NC(=O)NC3=O)c(=O)n(-c2ccccc2)n1C ZINC001640575797 1069812191 /nfs/dbraw/zinc/81/21/91/1069812191.db2.gz YIXWKWCVRPTQOL-UHFFFAOYSA-N 0 0 458.500 -0.423 20 0 JBADRN CCS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)NC)CC2)(c2ccccc2)CC1 ZINC001640575906 1069812160 /nfs/dbraw/zinc/81/21/60/1069812160.db2.gz KMPNPUUEOWEOMD-UHFFFAOYSA-N 0 0 458.606 -0.022 20 0 JBADRN CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001640606455 1069812760 /nfs/dbraw/zinc/81/27/60/1069812760.db2.gz FODBPXIYMCDKJW-CFGKVWFZSA-N 0 0 453.543 -0.011 20 0 JBADRN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001640606465 1069812984 /nfs/dbraw/zinc/81/29/84/1069812984.db2.gz FODBPXIYMCDKJW-CTDFXDFQSA-N 0 0 453.543 -0.011 20 0 JBADRN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001640606467 1069812707 /nfs/dbraw/zinc/81/27/07/1069812707.db2.gz FODBPXIYMCDKJW-JPMGXVIASA-N 0 0 453.543 -0.011 20 0 JBADRN CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001640606545 1069812529 /nfs/dbraw/zinc/81/25/29/1069812529.db2.gz FODBPXIYMCDKJW-PISNEZEASA-N 0 0 453.543 -0.011 20 0 JBADRN CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001640607387 1069812899 /nfs/dbraw/zinc/81/28/99/1069812899.db2.gz ULSXLBXARDZYFM-MSOLQXFVSA-N 0 0 455.519 -0.108 20 0 JBADRN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001640607388 1069812628 /nfs/dbraw/zinc/81/26/28/1069812628.db2.gz ULSXLBXARDZYFM-QZTJIDSGSA-N 0 0 455.519 -0.108 20 0 JBADRN CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001640607389 1069813200 /nfs/dbraw/zinc/81/32/00/1069813200.db2.gz ULSXLBXARDZYFM-ROUUACIJSA-N 0 0 455.519 -0.108 20 0 JBADRN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001640607390 1069813148 /nfs/dbraw/zinc/81/31/48/1069813148.db2.gz ULSXLBXARDZYFM-ZWKOTPCHSA-N 0 0 455.519 -0.108 20 0 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CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC001661144385 1069924425 /nfs/dbraw/zinc/92/44/25/1069924425.db2.gz WNJPSFQKEGLYHD-GFCCVEGCSA-N 0 0 455.356 -0.613 20 0 JBADRN CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC001661144390 1069924311 /nfs/dbraw/zinc/92/43/11/1069924311.db2.gz WNJPSFQKEGLYHD-LBPRGKRZSA-N 0 0 455.356 -0.613 20 0 JBADRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC001661166264 1069924395 /nfs/dbraw/zinc/92/43/95/1069924395.db2.gz MMSGBDKSAABCFD-LLVKDONJSA-N 0 0 450.416 -0.180 20 0 JBADRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC001661166265 1069924265 /nfs/dbraw/zinc/92/42/65/1069924265.db2.gz MMSGBDKSAABCFD-NSHDSACASA-N 0 0 450.416 -0.180 20 0 JBADRN Cn1c2cc(Br)c(S(=O)(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2n(C)c1=O ZINC001661166268 1069924276 /nfs/dbraw/zinc/92/42/76/1069924276.db2.gz MTLOHMCSWXUAAP-LLVKDONJSA-N 0 0 458.294 -0.436 20 0 JBADRN Cn1c2cc(Br)c(S(=O)(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2n(C)c1=O ZINC001661166269 1069924377 /nfs/dbraw/zinc/92/43/77/1069924377.db2.gz MTLOHMCSWXUAAP-NSHDSACASA-N 0 0 458.294 -0.436 20 0 JBADRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC001661171838 1069925110 /nfs/dbraw/zinc/92/51/10/1069925110.db2.gz PRCYVWBISXVHML-GFCCVEGCSA-N 0 0 450.416 -0.180 20 0 JBADRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC001661171839 1069925008 /nfs/dbraw/zinc/92/50/08/1069925008.db2.gz PRCYVWBISXVHML-LBPRGKRZSA-N 0 0 450.416 -0.180 20 0 JBADRN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(Cl)c1 ZINC001661173976 1069924999 /nfs/dbraw/zinc/92/49/99/1069924999.db2.gz BEQMYYAATFCLKA-KBPBESRZSA-N 0 0 452.938 -0.097 20 0 JBADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(Cl)c1 ZINC001661173977 1069925105 /nfs/dbraw/zinc/92/51/05/1069925105.db2.gz BEQMYYAATFCLKA-KGLIPLIRSA-N 0 0 452.938 -0.097 20 0 JBADRN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(Cl)c1 ZINC001661173978 1069924983 /nfs/dbraw/zinc/92/49/83/1069924983.db2.gz BEQMYYAATFCLKA-UONOGXRCSA-N 0 0 452.938 -0.097 20 0 JBADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(Cl)c1 ZINC001661173979 1069925052 /nfs/dbraw/zinc/92/50/52/1069925052.db2.gz BEQMYYAATFCLKA-ZIAGYGMSSA-N 0 0 452.938 -0.097 20 0 JBADRN COc1nn2cc(Br)cnc2c1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001661184733 1069925062 /nfs/dbraw/zinc/92/50/62/1069925062.db2.gz JUGUMMJQPHSIOA-UHFFFAOYSA-N 0 0 459.282 -0.137 20 0 JBADRN COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C2)cc1 ZINC001661230206 1069924931 /nfs/dbraw/zinc/92/49/31/1069924931.db2.gz QIXIFCBBAWNOQG-UHFFFAOYSA-N 0 0 455.580 -0.731 20 0 JBADRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1C(=O)N(C)C ZINC001661251153 1069925042 /nfs/dbraw/zinc/92/50/42/1069925042.db2.gz JEXDQVGCFNBPTF-UHFFFAOYSA-N 0 0 454.549 -0.438 20 0 JBADRN Cc1nc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(Br)n1C ZINC001661251563 1069925023 /nfs/dbraw/zinc/92/50/23/1069925023.db2.gz XLCGKOWBZYKFTL-UHFFFAOYSA-N 0 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C[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001661304305 1069925745 /nfs/dbraw/zinc/92/57/45/1069925745.db2.gz NJKHBWRBSDQNHH-IRXDYDNUSA-N 0 0 450.627 -0.384 20 0 JBADRN C[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001661304306 1069925676 /nfs/dbraw/zinc/92/56/76/1069925676.db2.gz NJKHBWRBSDQNHH-SJORKVTESA-N 0 0 450.627 -0.384 20 0 JBADRN COc1c(F)cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1F ZINC001661329427 1069925611 /nfs/dbraw/zinc/92/56/11/1069925611.db2.gz CWOKAFYXOYBRKY-UHFFFAOYSA-N 0 0 454.521 -0.228 20 0 JBADRN CNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 ZINC001661329726 1069925715 /nfs/dbraw/zinc/92/57/15/1069925715.db2.gz MPROXORBBDGEGO-UHFFFAOYSA-N 0 0 458.484 -0.421 20 0 JBADRN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001661330101 1069925641 /nfs/dbraw/zinc/92/56/41/1069925641.db2.gz SJJPROGJLUSRGZ-CVEARBPZSA-N 0 0 452.599 -0.842 20 0 JBADRN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001661330102 1069925560 /nfs/dbraw/zinc/92/55/60/1069925560.db2.gz SJJPROGJLUSRGZ-HOTGVXAUSA-N 0 0 452.599 -0.842 20 0 JBADRN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001661330103 1069925658 /nfs/dbraw/zinc/92/56/58/1069925658.db2.gz SJJPROGJLUSRGZ-HZPDHXFCSA-N 0 0 452.599 -0.842 20 0 JBADRN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001661330104 1069925679 /nfs/dbraw/zinc/92/56/79/1069925679.db2.gz SJJPROGJLUSRGZ-JKSUJKDBSA-N 0 0 452.599 -0.842 20 0 JBADRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)o3)CC2)CC1 ZINC001661334918 1069925650 /nfs/dbraw/zinc/92/56/50/1069925650.db2.gz RHZVFNVPCJXSAK-UHFFFAOYSA-N 0 0 457.372 -0.159 20 0 JBADRN CN(C(=O)CN1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1)C1CCCCC1 ZINC001661355950 1069925546 /nfs/dbraw/zinc/92/55/46/1069925546.db2.gz HEBVZOYFKOISDR-UHFFFAOYSA-N 0 0 450.627 -0.384 20 0 JBADRN CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cn1C ZINC001661372126 1069925591 /nfs/dbraw/zinc/92/55/91/1069925591.db2.gz KZOVPFDUFUBCOP-UHFFFAOYSA-N 0 0 454.549 -0.054 20 0 JBADRN CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1cnn(C)c1I ZINC001661378164 1069925731 /nfs/dbraw/zinc/92/57/31/1069925731.db2.gz WYDSHIZNPREQJN-UHFFFAOYSA-N 0 0 451.312 -0.865 20 0 JBADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001661379420 1069925691 /nfs/dbraw/zinc/92/56/91/1069925691.db2.gz CETPFYIVMSWOID-AWEZNQCLSA-N 0 0 459.546 -0.732 20 0 JBADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001661379431 1069925634 /nfs/dbraw/zinc/92/56/34/1069925634.db2.gz CETPFYIVMSWOID-CQSZACIVSA-N 0 0 459.546 -0.732 20 0 JBADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC001661379933 1069925530 /nfs/dbraw/zinc/92/55/30/1069925530.db2.gz JRUCJOZKVKQTNG-HNNXBMFYSA-N 0 0 455.558 -0.091 20 0 JBADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC001661379934 1069925579 /nfs/dbraw/zinc/92/55/79/1069925579.db2.gz JRUCJOZKVKQTNG-OAHLLOKOSA-N 0 0 455.558 -0.091 20 0 JBADRN CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC001661389796 1069926214 /nfs/dbraw/zinc/92/62/14/1069926214.db2.gz PUTJZRJBGLNARU-UHFFFAOYSA-N 0 0 453.970 -0.009 20 0 JBADRN COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC001661392276 1069926262 /nfs/dbraw/zinc/92/62/62/1069926262.db2.gz CSDMVOSCUIPXHZ-CVEARBPZSA-N 0 0 460.578 -0.206 20 0 JBADRN CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)N3CCN(C(C)=O)CC3)ccc2O1 ZINC001661401241 1069926199 /nfs/dbraw/zinc/92/61/99/1069926199.db2.gz ZONZWUBGROJZOH-GOSISDBHSA-N 0 0 453.517 -0.088 20 0 JBADRN CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)N3CCN(C(C)=O)CC3)ccc2O1 ZINC001661401242 1069926294 /nfs/dbraw/zinc/92/62/94/1069926294.db2.gz ZONZWUBGROJZOH-SFHVURJKSA-N 0 0 453.517 -0.088 20 0 JBADRN COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)CC1 ZINC001661405257 1069926303 /nfs/dbraw/zinc/92/63/03/1069926303.db2.gz OZCABCZZXCSRTP-HNNXBMFYSA-N 0 0 454.549 -0.344 20 0 JBADRN COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)CC1 ZINC001661405258 1069926240 /nfs/dbraw/zinc/92/62/40/1069926240.db2.gz OZCABCZZXCSRTP-OAHLLOKOSA-N 0 0 454.549 -0.344 20 0 JBADRN CCOC(=O)N1CCN(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC001661419325 1069926307 /nfs/dbraw/zinc/92/63/07/1069926307.db2.gz OSZGGGZWYRGFDM-UHFFFAOYSA-N 0 0 453.565 -0.061 20 0 JBADRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1cc3c(cc1F)NC(=O)CC3)C2 ZINC001661422369 1069926370 /nfs/dbraw/zinc/92/63/70/1069926370.db2.gz RAGSPTQNRCNSNV-UHFFFAOYSA-N 0 0 452.468 -0.639 20 0 JBADRN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001661428437 1069926222 /nfs/dbraw/zinc/92/62/22/1069926222.db2.gz SBBSNTRPETVFEI-UHFFFAOYSA-N 0 0 452.599 -0.966 20 0 JBADRN CC(C)(C)OC(=O)N1CCN(CCCNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 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