smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001501421792 1069524559 /nfs/dbraw/zinc/52/45/59/1069524559.db2.gz WPUUFUCXCFSLMV-NRFANRHFSA-N 1 2 499.641 1.242 20 30 JDEDLO CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001501421792 1069524580 /nfs/dbraw/zinc/52/45/80/1069524580.db2.gz WPUUFUCXCFSLMV-NRFANRHFSA-N 1 2 499.641 1.242 20 30 JDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 ZINC001501780590 1069666553 /nfs/dbraw/zinc/66/65/53/1069666553.db2.gz NRNTYBZPMHYHRN-DHIUTWEWSA-N 1 2 495.628 1.859 20 30 JDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 ZINC001501780584 1069665008 /nfs/dbraw/zinc/66/50/08/1069665008.db2.gz NOJWTEIGHNXQQU-UHFFFAOYSA-N 1 2 475.601 1.783 20 30 JDEDLO CCN(CC)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c[nH+]1 ZINC001501841001 1069745850 /nfs/dbraw/zinc/74/58/50/1069745850.db2.gz VIJGSFVDPVMQCW-PKOBYXMFSA-N 1 2 490.634 1.639 20 30 JDEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc2)C1 ZINC001478352276 1069974902 /nfs/dbraw/zinc/97/49/02/1069974902.db2.gz XXGKMCTZEGHRBY-ZCDKGFTFSA-N 1 2 452.964 1.291 20 30 JDEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc2)C1 ZINC001478352276 1069974925 /nfs/dbraw/zinc/97/49/25/1069974925.db2.gz XXGKMCTZEGHRBY-ZCDKGFTFSA-N 1 2 452.964 1.291 20 30 JDEDLO CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504026719 1070790996 /nfs/dbraw/zinc/79/09/96/1070790996.db2.gz DTBXICBPIAFHCU-VWLOTQADSA-N 1 2 481.601 1.898 20 30 JDEDLO CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001495725465 1070817952 /nfs/dbraw/zinc/81/79/52/1070817952.db2.gz XNNNVFVRAROPNJ-QZTJIDSGSA-N 1 2 455.611 1.753 20 30 JDEDLO CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001495725467 1070818139 /nfs/dbraw/zinc/81/81/39/1070818139.db2.gz XNNNVFVRAROPNJ-ZWKOTPCHSA-N 1 2 455.611 1.753 20 30 JDEDLO CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503204575 1071148837 /nfs/dbraw/zinc/14/88/37/1071148837.db2.gz STBHFZRYWLFZNC-LJQANCHMSA-N 1 2 451.575 1.986 20 30 JDEDLO CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503204574 1071149292 /nfs/dbraw/zinc/14/92/92/1071149292.db2.gz STBHFZRYWLFZNC-IBGZPJMESA-N 1 2 451.575 1.986 20 30 JDEDLO CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503258886 1071302442 /nfs/dbraw/zinc/30/24/42/1071302442.db2.gz OZOBUCNKBGKEQA-UHFFFAOYSA-N 1 2 466.571 1.677 20 30 JDEDLO COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504608691 1071465662 /nfs/dbraw/zinc/46/56/62/1071465662.db2.gz MEUTYMHPFLHQQW-NHCUHLMSSA-N 1 2 490.605 1.749 20 30 JDEDLO COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504608691 1071465675 /nfs/dbraw/zinc/46/56/75/1071465675.db2.gz MEUTYMHPFLHQQW-NHCUHLMSSA-N 1 2 490.605 1.749 20 30 JDEDLO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504874591 1071806409 /nfs/dbraw/zinc/80/64/09/1071806409.db2.gz UZUDSUYAZTWBND-NQIIRXRSSA-N 1 2 467.574 1.475 20 30 JDEDLO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504874591 1071806411 /nfs/dbraw/zinc/80/64/11/1071806411.db2.gz UZUDSUYAZTWBND-NQIIRXRSSA-N 1 2 467.574 1.475 20 30 JDEDLO COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[NH+]2CCOCC2)CC1=O ZINC001504905158 1071846007 /nfs/dbraw/zinc/84/60/07/1071846007.db2.gz QZHNWRNNAHHANG-HXUWFJFHSA-N 1 2 467.574 1.080 20 30 JDEDLO C[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 ZINC001503611213 1071895409 /nfs/dbraw/zinc/89/54/09/1071895409.db2.gz MYICNSKIWLOERM-HKUYNNGSSA-N 1 2 462.551 1.180 20 30 JDEDLO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 ZINC001503611213 1071895410 /nfs/dbraw/zinc/89/54/10/1071895410.db2.gz MYICNSKIWLOERM-HKUYNNGSSA-N 1 2 462.551 1.180 20 30 JDEDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CCNC(=O)C1N=CC=CC1=O ZINC001503619312 1071908218 /nfs/dbraw/zinc/90/82/18/1071908218.db2.gz GAJDUQGONIXESB-XDOYNYLZSA-N 1 2 451.531 1.240 20 30 JDEDLO Cn1cccc1-c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O ZINC001503668897 1071995651 /nfs/dbraw/zinc/99/56/51/1071995651.db2.gz NPRMKEVPXFAWHU-UHFFFAOYSA-N 1 2 467.599 1.912 20 30 JDEDLO Cn1cccc1-c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O ZINC001503668897 1071995657 /nfs/dbraw/zinc/99/56/57/1071995657.db2.gz NPRMKEVPXFAWHU-UHFFFAOYSA-N 1 2 467.599 1.912 20 30 JDEDLO COCCO[C@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001504969652 1072019105 /nfs/dbraw/zinc/01/91/05/1072019105.db2.gz SPSFEDQOJLKWNC-GCJKJVERSA-N 1 2 499.616 1.894 20 30 JDEDLO COCCO[C@@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001504969653 1072019271 /nfs/dbraw/zinc/01/92/71/1072019271.db2.gz SPSFEDQOJLKWNC-PGRDOPGGSA-N 1 2 499.616 1.894 20 30 JDEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 ZINC001466738339 1067912033 /nfs/dbraw/zinc/91/20/33/1067912033.db2.gz XVAJFGAVPREJSN-RDJZCZTQSA-N 1 2 451.568 1.851 20 30 JDEDLO CCOC1CC(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)([NH+]2CCOCC2)C1 ZINC001469729404 1068574210 /nfs/dbraw/zinc/57/42/10/1068574210.db2.gz MAKDNJLZSWKMHI-KYMGHPBBSA-N 1 2 451.568 1.315 20 30 JDEDLO CCOC1CC(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)([NH+]2CCOCC2)C1 ZINC001469729406 1068575060 /nfs/dbraw/zinc/57/50/60/1068575060.db2.gz MAKDNJLZSWKMHI-ZUHIPDPLSA-N 1 2 451.568 1.315 20 30 JDEDLO Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3C[N@H+](Cc4ccc(C)cc4)CCO3)CC2)c1C#N ZINC001471109804 1068836491 /nfs/dbraw/zinc/83/64/91/1068836491.db2.gz IEUDKBUJKGFKOQ-NRFANRHFSA-N 1 2 451.575 1.641 20 30 JDEDLO Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3C[N@@H+](Cc4ccc(C)cc4)CCO3)CC2)c1C#N ZINC001471109804 1068836492 /nfs/dbraw/zinc/83/64/92/1068836492.db2.gz IEUDKBUJKGFKOQ-NRFANRHFSA-N 1 2 451.575 1.641 20 30 JDEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[NH+](CCc4cnccn4)CC3)C2)C1 ZINC001471408245 1068863013 /nfs/dbraw/zinc/86/30/13/1068863013.db2.gz NUKKAUSEULSOTI-SZTYLXMGSA-N 1 2 454.575 1.950 20 30 JDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1 ZINC001471833444 1068915254 /nfs/dbraw/zinc/91/52/54/1068915254.db2.gz YNWLLBJLHWHEDY-KRWDZBQOSA-N 1 2 453.524 1.897 20 30 JDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1 ZINC001471833444 1068915266 /nfs/dbraw/zinc/91/52/66/1068915266.db2.gz YNWLLBJLHWHEDY-KRWDZBQOSA-N 1 2 453.524 1.897 20 30 JDEDLO N#Cc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCOCC(F)F)cc1 ZINC001505315711 1072481530 /nfs/dbraw/zinc/48/15/30/1072481530.db2.gz AOESZEIVFUPLMB-UHFFFAOYSA-N 1 2 473.528 1.843 20 30 JDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001507537468 1072599374 /nfs/dbraw/zinc/59/93/74/1072599374.db2.gz IKPVNVAQXNUWMY-JXFKEZNVSA-N 1 2 487.561 1.442 20 30 JDEDLO C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507546891 1072607710 /nfs/dbraw/zinc/60/77/10/1072607710.db2.gz SUKRXAZCLCAFPJ-IBGZPJMESA-N 1 2 454.575 1.878 20 30 JDEDLO C#CCCCCn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001507573340 1072626850 /nfs/dbraw/zinc/62/68/50/1072626850.db2.gz FFZYGQHVBUWFBM-PXDATVDWSA-N 1 2 472.634 1.867 20 30 JDEDLO C#CCCCCn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001507573338 1072627060 /nfs/dbraw/zinc/62/70/60/1072627060.db2.gz FFZYGQHVBUWFBM-BWKNWUBXSA-N 1 2 472.634 1.867 20 30 JDEDLO C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507610771 1072639506 /nfs/dbraw/zinc/63/95/06/1072639506.db2.gz JXCFBSOAHXTTSE-FQEVSTJZSA-N 1 2 473.622 1.626 20 30 JDEDLO C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507610773 1072639532 /nfs/dbraw/zinc/63/95/32/1072639532.db2.gz JXCFBSOAHXTTSE-HXUWFJFHSA-N 1 2 473.622 1.626 20 30 JDEDLO C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622752 1072648591 /nfs/dbraw/zinc/64/85/91/1072648591.db2.gz LXIHFZRTDMLRCF-HXUWFJFHSA-N 1 2 499.641 1.477 20 30 JDEDLO C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507629940 1072676174 /nfs/dbraw/zinc/67/61/74/1072676174.db2.gz RCTFTMKHOMBVSB-SXWKCWPCSA-N 1 2 496.637 1.943 20 30 JDEDLO C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507629938 1072676805 /nfs/dbraw/zinc/67/68/05/1072676805.db2.gz RCTFTMKHOMBVSB-JTAQYXEDSA-N 1 2 496.637 1.943 20 30 JDEDLO C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(CC)CC)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001507630624 1072681590 /nfs/dbraw/zinc/68/15/90/1072681590.db2.gz DKMMXMRGDDVZNF-FQEVSTJZSA-N 1 2 482.614 1.595 20 30 JDEDLO C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1cccc(C)[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001507632313 1072694774 /nfs/dbraw/zinc/69/47/74/1072694774.db2.gz ZBCGWFCMYOYNJF-HXUWFJFHSA-N 1 2 453.572 1.642 20 30 JDEDLO C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC001507633011 1072700127 /nfs/dbraw/zinc/70/01/27/1072700127.db2.gz RCSVRSWIPPXIDQ-QHAWAJNXSA-N 1 2 479.647 1.156 20 30 JDEDLO C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC001507633011 1072700144 /nfs/dbraw/zinc/70/01/44/1072700144.db2.gz RCSVRSWIPPXIDQ-QHAWAJNXSA-N 1 2 479.647 1.156 20 30 JDEDLO C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1cccc(C)[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001507637350 1072717023 /nfs/dbraw/zinc/71/70/23/1072717023.db2.gz AOCHLKVRIGRKOS-HXUWFJFHSA-N 1 2 470.599 1.363 20 30 JDEDLO C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507637495 1072718476 /nfs/dbraw/zinc/71/84/76/1072718476.db2.gz BHKPVFVLWMEKEI-MOPGFXCFSA-N 1 2 490.655 1.392 20 30 JDEDLO C#CCN(c1nnc(COCC)n1C[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507638749 1072723156 /nfs/dbraw/zinc/72/31/56/1072723156.db2.gz SMZSWWUFPHYKTP-MOPGFXCFSA-N 1 2 461.588 1.871 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001507659042 1072749004 /nfs/dbraw/zinc/74/90/04/1072749004.db2.gz LAJWRYXZUGIFMT-SLFFLAALSA-N 1 2 456.591 1.842 20 30 JDEDLO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001507659076 1072749352 /nfs/dbraw/zinc/74/93/52/1072749352.db2.gz VHTDKMRQSYNCPG-XMMPIXPASA-N 1 2 479.610 1.596 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001507667592 1072754029 /nfs/dbraw/zinc/75/40/29/1072754029.db2.gz PFCQSLXEGHQOAD-HSZRJFAPSA-N 1 2 459.598 1.510 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001507671848 1072756936 /nfs/dbraw/zinc/75/69/36/1072756936.db2.gz QLACTLLZLICJOU-NRFANRHFSA-N 1 2 498.628 1.914 20 30 JDEDLO C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507678591 1072758408 /nfs/dbraw/zinc/75/84/08/1072758408.db2.gz KRYPXJCYAQDQCS-JPYJTQIMSA-N 1 2 454.579 1.890 20 30 JDEDLO C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507678591 1072758427 /nfs/dbraw/zinc/75/84/27/1072758427.db2.gz KRYPXJCYAQDQCS-JPYJTQIMSA-N 1 2 454.579 1.890 20 30 JDEDLO C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001507679849 1072758902 /nfs/dbraw/zinc/75/89/02/1072758902.db2.gz RWHPPFVSZMWQPW-ICSRJNTNSA-N 1 2 460.604 1.249 20 30 JDEDLO C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001507679849 1072758916 /nfs/dbraw/zinc/75/89/16/1072758916.db2.gz RWHPPFVSZMWQPW-ICSRJNTNSA-N 1 2 460.604 1.249 20 30 JDEDLO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001507690858 1072762437 /nfs/dbraw/zinc/76/24/37/1072762437.db2.gz YBWJKWUSRNNJFA-VQTJNVASSA-N 1 2 451.637 1.777 20 30 JDEDLO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001507690832 1072762498 /nfs/dbraw/zinc/76/24/98/1072762498.db2.gz XTPFRMRPPHNBKK-SFTDATJTSA-N 1 2 470.643 1.850 20 30 JDEDLO C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507702841 1072765526 /nfs/dbraw/zinc/76/55/26/1072765526.db2.gz MRMDPUZOIILEMG-SFHVURJKSA-N 1 2 467.578 1.101 20 30 JDEDLO C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507702841 1072765539 /nfs/dbraw/zinc/76/55/39/1072765539.db2.gz MRMDPUZOIILEMG-SFHVURJKSA-N 1 2 467.578 1.101 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NC2CCCCC2)CC1 ZINC001507715555 1072773268 /nfs/dbraw/zinc/77/32/68/1072773268.db2.gz CVTLIEURIQDTFV-UHFFFAOYSA-N 1 2 450.547 1.130 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnn(CC)c2)CC1 ZINC001507717762 1072777517 /nfs/dbraw/zinc/77/75/17/1072777517.db2.gz ILZSNJOKRZOWQL-UHFFFAOYSA-N 1 2 465.558 1.991 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCSCCCO)CC1 ZINC001507717910 1072778178 /nfs/dbraw/zinc/77/81/78/1072778178.db2.gz IYYYHWULWDIVPF-UHFFFAOYSA-N 1 2 467.437 1.917 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCn2cc(CO)nn2)CC1 ZINC001507718049 1072778358 /nfs/dbraw/zinc/77/83/58/1072778358.db2.gz LTGLAWPITKYYJF-UHFFFAOYSA-N 1 2 485.390 1.637 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001507718029 1072778395 /nfs/dbraw/zinc/77/83/95/1072778395.db2.gz LDOFFGOPVGKYMB-RBUKOAKNSA-N 1 2 457.600 1.919 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001507718339 1072779354 /nfs/dbraw/zinc/77/93/54/1072779354.db2.gz PABFYACTKFCXFI-HXUWFJFHSA-N 1 2 482.585 1.641 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N[C@@H](C)CC)CC1 ZINC001507718301 1072779401 /nfs/dbraw/zinc/77/94/01/1072779401.db2.gz NUPUBXRMIHJYKW-SFHVURJKSA-N 1 2 472.615 1.409 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 ZINC001507718480 1072780010 /nfs/dbraw/zinc/78/00/10/1072780010.db2.gz DRGRBRVLAAOMFV-SANMLTNESA-N 1 2 480.613 1.872 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCS(=O)(=O)NC)CC1 ZINC001507718666 1072780323 /nfs/dbraw/zinc/78/03/23/1072780323.db2.gz GBDJSPXEORGYRZ-UHFFFAOYSA-N 1 2 481.626 1.657 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC2(C)C)CC1 ZINC001507718929 1072781043 /nfs/dbraw/zinc/78/10/43/1072781043.db2.gz WUVPHXSAZSPNFP-LJQANCHMSA-N 1 2 456.616 1.997 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCCCC2)CC1 ZINC001507719206 1072782291 /nfs/dbraw/zinc/78/22/91/1072782291.db2.gz ZKARLBRNAGZRNR-UHFFFAOYSA-N 1 2 457.600 1.799 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001507720169 1072782873 /nfs/dbraw/zinc/78/28/73/1072782873.db2.gz SKOUKSFCIJNIQN-QHCPKHFHSA-N 1 2 460.579 1.164 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001507719872 1072783262 /nfs/dbraw/zinc/78/32/62/1072783262.db2.gz QOENVUJTSCEBKV-NRFANRHFSA-N 1 2 483.560 1.516 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNS(=O)(=O)CC)CC1 ZINC001507720327 1072783652 /nfs/dbraw/zinc/78/36/52/1072783652.db2.gz UDOSBCACGFJTEU-QGZVFWFLSA-N 1 2 464.567 1.252 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001507720534 1072784095 /nfs/dbraw/zinc/78/40/95/1072784095.db2.gz IEZAGCSJIQMUAE-LJQANCHMSA-N 1 2 458.588 1.133 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001507720702 1072785110 /nfs/dbraw/zinc/78/51/10/1072785110.db2.gz WDBKSYQLAVCDQB-QFIPXVFZSA-N 1 2 460.966 1.813 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CCOC2)CC1 ZINC001507721520 1072785557 /nfs/dbraw/zinc/78/55/57/1072785557.db2.gz VAVHDKIZGVOWSU-NRFANRHFSA-N 1 2 460.376 1.923 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc3ccc(F)cc3c2C)CC1 ZINC001507721346 1072785710 /nfs/dbraw/zinc/78/57/10/1072785710.db2.gz JDCLVRUFXCUCOX-INIZCTEOSA-N 1 2 474.562 1.886 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OCC)CC1 ZINC001507721295 1072785762 /nfs/dbraw/zinc/78/57/62/1072785762.db2.gz ISLHLQUSVMPZOO-GOSISDBHSA-N 1 2 460.604 1.399 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CCOC2)CC1 ZINC001507721521 1072785889 /nfs/dbraw/zinc/78/58/89/1072785889.db2.gz VAVHDKIZGVOWSU-OAQYLSRUSA-N 1 2 460.376 1.923 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001507721599 1072786030 /nfs/dbraw/zinc/78/60/30/1072786030.db2.gz RHJLOCDQDUEPNO-QGZVFWFLSA-N 1 2 457.966 1.244 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001507721659 1072786484 /nfs/dbraw/zinc/78/64/84/1072786484.db2.gz RSFWQVLMPHKRLQ-UHFFFAOYSA-N 1 2 486.001 1.727 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001507721906 1072786714 /nfs/dbraw/zinc/78/67/14/1072786714.db2.gz MZHSSCMKICTIRV-INIZCTEOSA-N 1 2 466.558 1.804 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CCOCC2)CC1 ZINC001507721760 1072786774 /nfs/dbraw/zinc/78/67/74/1072786774.db2.gz MBOFLRWDGJUYGC-HXUWFJFHSA-N 1 2 486.642 1.392 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN(C)c2ccccc2)CC1 ZINC001507722220 1072787420 /nfs/dbraw/zinc/78/74/20/1072787420.db2.gz RJQKMCBCOVBYTE-IBGZPJMESA-N 1 2 459.620 1.170 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOc3ccccc32)CC1 ZINC001507722366 1072788512 /nfs/dbraw/zinc/78/85/12/1072788512.db2.gz VKAZHZMHKVDCPT-MSOLQXFVSA-N 1 2 458.588 1.210 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)Oc2ccccc2F)CC1 ZINC001507722373 1072789082 /nfs/dbraw/zinc/78/90/82/1072789082.db2.gz VLXXVWVZCCVXTN-ZWKOTPCHSA-N 1 2 478.594 1.640 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2(O)CCOCC2)CC1 ZINC001507722640 1072789154 /nfs/dbraw/zinc/78/91/54/1072789154.db2.gz CPEOWTVUFOJBLZ-UHFFFAOYSA-N 1 2 455.559 1.649 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001507722444 1072789175 /nfs/dbraw/zinc/78/91/75/1072789175.db2.gz XKYMCBLBLUVQBW-QZTJIDSGSA-N 1 2 497.666 1.193 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC[C@H]2OC)CC1 ZINC001507722702 1072790320 /nfs/dbraw/zinc/79/03/20/1072790320.db2.gz FVSXRSWJPVRMHN-XMSQKQJNSA-N 1 2 455.559 1.769 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001507722897 1072790481 /nfs/dbraw/zinc/79/04/81/1072790481.db2.gz NETCKCHTJLINBA-UHFFFAOYSA-N 1 2 474.656 1.387 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc43)n2C[C@@](C)(O)CCOC)CC1 ZINC001507723925 1072791691 /nfs/dbraw/zinc/79/16/91/1072791691.db2.gz ZKQOFLDZRKMYJJ-SANMLTNESA-N 1 2 493.612 1.608 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC001507723963 1072791786 /nfs/dbraw/zinc/79/17/86/1072791786.db2.gz BCQABYDYCGSCLP-UHFFFAOYSA-N 1 2 473.581 1.534 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CC(F)(F)F)CC1 ZINC001507723597 1072791850 /nfs/dbraw/zinc/79/18/50/1072791850.db2.gz NZEMCLOATHIWAM-UHFFFAOYSA-N 1 2 453.469 1.255 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507724569 1072792596 /nfs/dbraw/zinc/79/25/96/1072792596.db2.gz GZQDMXURHMMODH-LJQANCHMSA-N 1 2 463.508 1.749 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001507724842 1072792991 /nfs/dbraw/zinc/79/29/91/1072792991.db2.gz XTCUWODTMFYQSX-HXUWFJFHSA-N 1 2 471.005 1.772 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507724942 1072794259 /nfs/dbraw/zinc/79/42/59/1072794259.db2.gz YLWBIKIJXQKJIB-HXUWFJFHSA-N 1 2 477.535 1.672 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001507726949 1072794753 /nfs/dbraw/zinc/79/47/53/1072794753.db2.gz MRDJJJRLQJMAJR-UHFFFAOYSA-N 1 2 481.626 1.541 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001507726726 1072794914 /nfs/dbraw/zinc/79/49/14/1072794914.db2.gz DIQDZPYHBOZQJF-UHFFFAOYSA-N 1 2 479.610 1.915 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001507728152 1072797270 /nfs/dbraw/zinc/79/72/70/1072797270.db2.gz OXLURYRPTMFFOV-OAQYLSRUSA-N 1 2 456.616 1.100 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001507728437 1072797657 /nfs/dbraw/zinc/79/76/57/1072797657.db2.gz YOIFZQXDYPAURV-HXUWFJFHSA-N 1 2 472.615 1.079 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)cc(C)c2)CC1 ZINC001507729536 1072798037 /nfs/dbraw/zinc/79/80/37/1072798037.db2.gz IBFCXYVSUBDPNT-JOCHJYFZSA-N 1 2 486.642 1.226 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)C(C)C)CC1 ZINC001507729656 1072798146 /nfs/dbraw/zinc/79/81/46/1072798146.db2.gz JMWUNJMFAHWODG-CYFREDJKSA-N 1 2 476.622 1.749 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)C(C)C)CC1 ZINC001507729661 1072798552 /nfs/dbraw/zinc/79/85/52/1072798552.db2.gz JMWUNJMFAHWODG-YADARESESA-N 1 2 476.622 1.749 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)CC1 ZINC001507730538 1072799070 /nfs/dbraw/zinc/79/90/70/1072799070.db2.gz SJQSVZGECOYQIS-IBGZPJMESA-N 1 2 462.595 1.768 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)COCCO2)CC1 ZINC001507730882 1072799256 /nfs/dbraw/zinc/79/92/56/1072799256.db2.gz XMAGFUNBOBOIIR-DVECYGJZSA-N 1 2 490.605 1.147 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)cn2)CC1 ZINC001507729925 1072799282 /nfs/dbraw/zinc/79/92/82/1072799282.db2.gz LFXIUFVEKNLTGI-HXUWFJFHSA-N 1 2 485.564 1.924 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CCC2)CC1 ZINC001507730553 1072799644 /nfs/dbraw/zinc/79/96/44/1072799644.db2.gz SXGLYECKOGIOFF-IBGZPJMESA-N 1 2 464.636 1.337 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001507731368 1072800205 /nfs/dbraw/zinc/80/02/05/1072800205.db2.gz GTHGUWWSUKEALT-NRFANRHFSA-N 1 2 457.600 1.921 20 30 JDEDLO C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001507731764 1072801093 /nfs/dbraw/zinc/80/10/93/1072801093.db2.gz CLYCRTQEHHBZJR-NRFANRHFSA-N 1 2 468.602 1.732 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001507732371 1072801587 /nfs/dbraw/zinc/80/15/87/1072801587.db2.gz GKSYLUAIBSWVEI-UFYCRDLUSA-N 1 2 482.576 1.113 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001507733294 1072802425 /nfs/dbraw/zinc/80/24/25/1072802425.db2.gz SUBMDMOOTRBGKL-UHFFFAOYSA-N 1 2 483.063 1.870 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001507734108 1072803646 /nfs/dbraw/zinc/80/36/46/1072803646.db2.gz RDXXQNUGESULHH-UHFFFAOYSA-N 1 2 463.586 1.816 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001507734156 1072803799 /nfs/dbraw/zinc/80/37/99/1072803799.db2.gz SIJPRXPVBKMARW-UHFFFAOYSA-N 1 2 492.559 1.755 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001507734381 1072804100 /nfs/dbraw/zinc/80/41/00/1072804100.db2.gz WXUQTNWXEWJOCP-UHFFFAOYSA-N 1 2 474.525 1.343 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001507742606 1072820247 /nfs/dbraw/zinc/82/02/47/1072820247.db2.gz METHSADJKQHDHG-JOCHJYFZSA-N 1 2 450.587 1.880 20 30 JDEDLO C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001507748069 1072822448 /nfs/dbraw/zinc/82/24/48/1072822448.db2.gz ZOHVRZPUSKVRRI-OAHLLOKOSA-N 1 2 483.689 1.342 20 30 JDEDLO C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001507752047 1072824919 /nfs/dbraw/zinc/82/49/19/1072824919.db2.gz UNAMVCCPAKKRDX-OAQYLSRUSA-N 1 2 473.668 1.911 20 30 JDEDLO C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001507789859 1072835074 /nfs/dbraw/zinc/83/50/74/1072835074.db2.gz NVHUDOQLILFVIT-KRWDZBQOSA-N 1 2 494.438 1.442 20 30 JDEDLO C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001507824949 1072843877 /nfs/dbraw/zinc/84/38/77/1072843877.db2.gz NRJFXLITTGGMHX-INIZCTEOSA-N 1 2 466.583 1.934 20 30 JDEDLO C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001507830785 1072844925 /nfs/dbraw/zinc/84/49/25/1072844925.db2.gz ZHAWUNIYPGPHQO-SFHVURJKSA-N 1 2 450.584 1.931 20 30 JDEDLO C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001507845364 1072848801 /nfs/dbraw/zinc/84/88/01/1072848801.db2.gz DINKUMRINJHCLO-FQEVSTJZSA-N 1 2 494.637 1.948 20 30 JDEDLO C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001507969022 1072862662 /nfs/dbraw/zinc/86/26/62/1072862662.db2.gz ZHAQHYXZJZVKKR-GOSISDBHSA-N 1 2 461.592 1.198 20 30 JDEDLO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)C(C)C ZINC001508012101 1072866559 /nfs/dbraw/zinc/86/65/59/1072866559.db2.gz BKTNXYWJYWARTJ-RTBURBONSA-N 1 2 469.677 1.448 20 30 JDEDLO C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001508018574 1072867125 /nfs/dbraw/zinc/86/71/25/1072867125.db2.gz GHBFUYRJIFEZRC-ROUUACIJSA-N 1 2 472.619 1.859 20 30 JDEDLO C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001508018574 1072867129 /nfs/dbraw/zinc/86/71/29/1072867129.db2.gz GHBFUYRJIFEZRC-ROUUACIJSA-N 1 2 472.619 1.859 20 30 JDEDLO C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001508048712 1072869799 /nfs/dbraw/zinc/86/97/99/1072869799.db2.gz WNFTXFUMYVGRAS-MRXNPFEDSA-N 1 2 470.574 1.946 20 30 JDEDLO C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001508099458 1072893974 /nfs/dbraw/zinc/89/39/74/1072893974.db2.gz YEGGWCDZXMQZMF-WIYYLYMNSA-N 1 2 468.606 1.924 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001508143339 1072919270 /nfs/dbraw/zinc/91/92/70/1072919270.db2.gz GFEDXOVUTONPRQ-UHFFFAOYSA-N 1 2 473.628 1.956 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001508143501 1072919754 /nfs/dbraw/zinc/91/97/54/1072919754.db2.gz MFSRPIJBYRKOLE-UHFFFAOYSA-N 1 2 486.642 1.632 20 30 JDEDLO C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001508145802 1072925077 /nfs/dbraw/zinc/92/50/77/1072925077.db2.gz QEDPPYUUKFYUPJ-NRFANRHFSA-N 1 2 459.616 1.748 20 30 JDEDLO C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001508152637 1072930562 /nfs/dbraw/zinc/93/05/62/1072930562.db2.gz PCCRCUORWQGDLH-MRXNPFEDSA-N 1 2 451.622 1.529 20 30 JDEDLO CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001508389836 1073199664 /nfs/dbraw/zinc/19/96/64/1073199664.db2.gz PENHQSTWIJPKMK-DEOSSOPVSA-N 1 2 494.644 1.574 20 30 JDEDLO C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001508415360 1073219965 /nfs/dbraw/zinc/21/99/65/1073219965.db2.gz BBNIQOQLQLLZJB-IRXDYDNUSA-N 1 2 450.547 1.509 20 30 JDEDLO C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@@H]1C ZINC001508415360 1073219974 /nfs/dbraw/zinc/21/99/74/1073219974.db2.gz BBNIQOQLQLLZJB-IRXDYDNUSA-N 1 2 450.547 1.509 20 30 JDEDLO C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001508427086 1073222227 /nfs/dbraw/zinc/22/22/27/1073222227.db2.gz XZCAVGRJGWEORM-WMZOPIPTSA-N 1 2 459.576 1.056 20 30 JDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 ZINC001508430764 1073227000 /nfs/dbraw/zinc/22/70/00/1073227000.db2.gz CUZWRFHIVGFJGU-QGZVFWFLSA-N 1 2 451.575 1.767 20 30 JDEDLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001509435747 1073617845 /nfs/dbraw/zinc/61/78/45/1073617845.db2.gz PDRVHNURMILENN-WOJBJXKFSA-N 1 2 488.614 1.434 20 30 JDEDLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001509435747 1073617852 /nfs/dbraw/zinc/61/78/52/1073617852.db2.gz PDRVHNURMILENN-WOJBJXKFSA-N 1 2 488.614 1.434 20 30 JDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4nc3[C@H](C#N)C(=O)OC)CC2)C1=O ZINC001164644317 719280598 /nfs/dbraw/zinc/28/05/98/719280598.db2.gz ICQGYIHHGAIIAZ-KRWDZBQOSA-N 1 2 466.542 1.169 20 30 JDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4nc3[C@H](C#N)C(=O)OC)CC2)C1=O ZINC001164644317 719280600 /nfs/dbraw/zinc/28/06/00/719280600.db2.gz ICQGYIHHGAIIAZ-KRWDZBQOSA-N 1 2 466.542 1.169 20 30 JDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC001164707452 719874634 /nfs/dbraw/zinc/87/46/34/719874634.db2.gz STGFQEUWIDJIDS-MFEFFIJZSA-N 1 2 459.547 1.658 20 30 JDEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709050 719924747 /nfs/dbraw/zinc/92/47/47/719924747.db2.gz XBFCHCQUIOLGAV-QGZVFWFLSA-N 1 2 488.552 1.094 20 30 JDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164708304 719935881 /nfs/dbraw/zinc/93/58/81/719935881.db2.gz IHIHGUWQHMWFHI-UHFFFAOYSA-N 1 2 460.498 1.698 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3[C@@H](C#N)C(=O)OC)C2)C1 ZINC001164723734 720286867 /nfs/dbraw/zinc/28/68/67/720286867.db2.gz XQNPDXXBZQPOQA-OSPHWJPCSA-N 1 2 466.542 1.075 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3[C@@H](C#N)C(=O)OC)C2)C1 ZINC001164723734 720286874 /nfs/dbraw/zinc/28/68/74/720286874.db2.gz XQNPDXXBZQPOQA-OSPHWJPCSA-N 1 2 466.542 1.075 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3[C@H](C#N)C(=O)OC)C2)C1 ZINC001164723724 720287371 /nfs/dbraw/zinc/28/73/71/720287371.db2.gz XQNPDXXBZQPOQA-BXKMTCNYSA-N 1 2 466.542 1.075 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3[C@H](C#N)C(=O)OC)C2)C1 ZINC001164723724 720287376 /nfs/dbraw/zinc/28/73/76/720287376.db2.gz XQNPDXXBZQPOQA-BXKMTCNYSA-N 1 2 466.542 1.075 20 30 JDEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164825728 720442401 /nfs/dbraw/zinc/44/24/01/720442401.db2.gz UPAPUIIAEIBPLO-QGZVFWFLSA-N 1 2 488.976 1.969 20 30 JDEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915003 721794685 /nfs/dbraw/zinc/79/46/85/721794685.db2.gz SWPKZYYDTNYUID-FQRUVTKNSA-N 1 2 488.548 1.913 20 30 JDEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915003 721794687 /nfs/dbraw/zinc/79/46/87/721794687.db2.gz SWPKZYYDTNYUID-FQRUVTKNSA-N 1 2 488.548 1.913 20 30 JDEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915004 721794816 /nfs/dbraw/zinc/79/48/16/721794816.db2.gz SWPKZYYDTNYUID-IBVKSMDESA-N 1 2 488.548 1.913 20 30 JDEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915004 721794819 /nfs/dbraw/zinc/79/48/19/721794819.db2.gz SWPKZYYDTNYUID-IBVKSMDESA-N 1 2 488.548 1.913 20 30 JDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)CC)CC1 ZINC001501769286 1069623162 /nfs/dbraw/zinc/62/31/62/1069623162.db2.gz ARUPZIOBDPZILG-UMSFTDKQSA-N 1 2 485.658 1.966 20 30 JDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)CC)CC1 ZINC001501769286 1069623187 /nfs/dbraw/zinc/62/31/87/1069623187.db2.gz ARUPZIOBDPZILG-UMSFTDKQSA-N 1 2 485.658 1.966 20 30 JDEDLO CCN(CC)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c[nH+]1 ZINC001501840998 1069745613 /nfs/dbraw/zinc/74/56/13/1069745613.db2.gz VIJGSFVDPVMQCW-HKUYNNGSSA-N 1 2 490.634 1.639 20 30 JDEDLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502264327 1069971186 /nfs/dbraw/zinc/97/11/86/1069971186.db2.gz XWKMFGSDIGFAKD-IUKKYPGJSA-N 1 2 488.614 1.197 20 30 JDEDLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502264327 1069971226 /nfs/dbraw/zinc/97/12/26/1069971226.db2.gz XWKMFGSDIGFAKD-IUKKYPGJSA-N 1 2 488.614 1.197 20 30 JDEDLO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502314471 1070093445 /nfs/dbraw/zinc/09/34/45/1070093445.db2.gz WCRBGKCAOYIOHH-ROUUACIJSA-N 1 2 459.545 1.902 20 30 JDEDLO C[C@@H](CC#N)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494126643 1070411803 /nfs/dbraw/zinc/41/18/03/1070411803.db2.gz CHJGMHYESWDQSW-BBWFWOEESA-N 1 2 476.607 1.295 20 30 JDEDLO CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001495725466 1070818212 /nfs/dbraw/zinc/81/82/12/1070818212.db2.gz XNNNVFVRAROPNJ-ROUUACIJSA-N 1 2 455.611 1.753 20 30 JDEDLO COc1cc[nH+]cc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001504454811 1071227985 /nfs/dbraw/zinc/22/79/85/1071227985.db2.gz YJMRYOJNECOAGX-UHFFFAOYSA-N 1 2 453.528 1.350 20 30 JDEDLO CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001503263636 1071319990 /nfs/dbraw/zinc/31/99/90/1071319990.db2.gz IWFWPYSKSDYSLD-UHFFFAOYSA-N 1 2 499.641 1.419 20 30 JDEDLO CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001503263636 1071320004 /nfs/dbraw/zinc/32/00/04/1071320004.db2.gz IWFWPYSKSDYSLD-UHFFFAOYSA-N 1 2 499.641 1.419 20 30 JDEDLO CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503273063 1071373285 /nfs/dbraw/zinc/37/32/85/1071373285.db2.gz FXLYCAHNRINMGZ-UHFFFAOYSA-N 1 2 495.613 1.571 20 30 JDEDLO COC[C@@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504608693 1071465815 /nfs/dbraw/zinc/46/58/15/1071465815.db2.gz MEUTYMHPFLHQQW-SFTDATJTSA-N 1 2 490.605 1.749 20 30 JDEDLO COC[C@@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504608693 1071465823 /nfs/dbraw/zinc/46/58/23/1071465823.db2.gz MEUTYMHPFLHQQW-SFTDATJTSA-N 1 2 490.605 1.749 20 30 JDEDLO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 ZINC001503383568 1071639842 /nfs/dbraw/zinc/63/98/42/1071639842.db2.gz SWBGVAUZCIEWBQ-CLCXKQKWSA-N 1 2 452.581 1.987 20 30 JDEDLO CN(C)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)c[nH+]1 ZINC001503392794 1071652744 /nfs/dbraw/zinc/65/27/44/1071652744.db2.gz JOXGOBHNQMBRSU-UHFFFAOYSA-N 1 2 480.598 1.844 20 30 JDEDLO COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1=O ZINC001504911014 1071866321 /nfs/dbraw/zinc/86/63/21/1071866321.db2.gz PDEKYESKSWWXAQ-UHFFFAOYSA-N 1 2 460.542 1.621 20 30 JDEDLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C ZINC001503621679 1071917319 /nfs/dbraw/zinc/91/73/19/1071917319.db2.gz PTXHYVHTDVUQGI-UHFFFAOYSA-N 1 2 469.590 1.659 20 30 JDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)cc2I)CC1 ZINC001464843854 1067672475 /nfs/dbraw/zinc/67/24/75/1067672475.db2.gz BHZNGXCFBDHXNP-UHFFFAOYSA-N 1 2 455.296 1.197 20 30 JDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2I)CC1 ZINC001464843854 1067672486 /nfs/dbraw/zinc/67/24/86/1067672486.db2.gz BHZNGXCFBDHXNP-UHFFFAOYSA-N 1 2 455.296 1.197 20 30 JDEDLO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC001465258070 1067768768 /nfs/dbraw/zinc/76/87/68/1067768768.db2.gz QCZNXMYCRABJNC-UHFFFAOYSA-N 1 2 458.606 1.124 20 30 JDEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001467701340 1068052966 /nfs/dbraw/zinc/05/29/66/1068052966.db2.gz ZDGMYYJWPXBEPI-CTNGQTDRSA-N 1 2 459.978 1.230 20 30 JDEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001467701342 1068053298 /nfs/dbraw/zinc/05/32/98/1068053298.db2.gz ZDGMYYJWPXBEPI-PZJWPPBQSA-N 1 2 459.978 1.230 20 30 JDEDLO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001499329149 1068984499 /nfs/dbraw/zinc/98/44/99/1068984499.db2.gz NXLBRNGORXBIIW-YLJYHZDGSA-N 1 2 453.547 1.164 20 30 JDEDLO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC001499680432 1069040430 /nfs/dbraw/zinc/04/04/30/1069040430.db2.gz GHRGGTDFVMLROK-FQEVSTJZSA-N 1 2 460.604 1.798 20 30 JDEDLO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC[N@H+]1CCOC ZINC001499680432 1069040446 /nfs/dbraw/zinc/04/04/46/1069040446.db2.gz GHRGGTDFVMLROK-FQEVSTJZSA-N 1 2 460.604 1.798 20 30 JDEDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1S(=O)(=O)N(C)C ZINC001473513095 1069173319 /nfs/dbraw/zinc/17/33/19/1069173319.db2.gz MOTQSBOLJVKWHA-KRWDZBQOSA-N 1 2 459.528 1.304 20 30 JDEDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1S(=O)(=O)N(C)C ZINC001473513095 1069173337 /nfs/dbraw/zinc/17/33/37/1069173337.db2.gz MOTQSBOLJVKWHA-KRWDZBQOSA-N 1 2 459.528 1.304 20 30 JDEDLO C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507535029 1072597438 /nfs/dbraw/zinc/59/74/38/1072597438.db2.gz WWCCBLSHNMLVRM-SFHVURJKSA-N 1 2 476.585 1.297 20 30 JDEDLO C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507535028 1072597536 /nfs/dbraw/zinc/59/75/36/1072597536.db2.gz WWCCBLSHNMLVRM-GOSISDBHSA-N 1 2 476.585 1.297 20 30 JDEDLO C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001507554132 1072616674 /nfs/dbraw/zinc/61/66/74/1072616674.db2.gz LSSSLYPGXIZVQO-HXUWFJFHSA-N 1 2 478.601 1.862 20 30 JDEDLO C#CCCCCn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001507573339 1072626777 /nfs/dbraw/zinc/62/67/77/1072626777.db2.gz FFZYGQHVBUWFBM-OFVILXPXSA-N 1 2 472.634 1.867 20 30 JDEDLO C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001507574694 1072627691 /nfs/dbraw/zinc/62/76/91/1072627691.db2.gz BEDQSJUTPGMFEP-GOSISDBHSA-N 1 2 484.626 1.551 20 30 JDEDLO C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001507575979 1072628723 /nfs/dbraw/zinc/62/87/23/1072628723.db2.gz VDWJWPGQAFGXHI-QGZVFWFLSA-N 1 2 478.594 1.772 20 30 JDEDLO C#CCCCn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001507598678 1072636587 /nfs/dbraw/zinc/63/65/87/1072636587.db2.gz GXRBBDKHEOBZIL-SQJMNOBHSA-N 1 2 472.634 1.865 20 30 JDEDLO C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001507616573 1072640298 /nfs/dbraw/zinc/64/02/98/1072640298.db2.gz KYFOQGAAWWYRCT-FQEVSTJZSA-N 1 2 487.630 1.360 20 30 JDEDLO C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCc1cccc(C)[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622300 1072647372 /nfs/dbraw/zinc/64/73/72/1072647372.db2.gz DHZMTKKRBGQNBT-HXUWFJFHSA-N 1 2 470.599 1.477 20 30 JDEDLO C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCNc1cccc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001507622399 1072647426 /nfs/dbraw/zinc/64/74/26/1072647426.db2.gz IJKBUXVPKGQVCN-SFHVURJKSA-N 1 2 494.581 1.449 20 30 JDEDLO C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1cccc(C)[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001507632312 1072695039 /nfs/dbraw/zinc/69/50/39/1072695039.db2.gz ZBCGWFCMYOYNJF-FQEVSTJZSA-N 1 2 453.572 1.642 20 30 JDEDLO C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCNc1cccc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001507634576 1072708534 /nfs/dbraw/zinc/70/85/34/1072708534.db2.gz ZEOSOALLASQWCB-MOPGFXCFSA-N 1 2 458.588 1.696 20 30 JDEDLO C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507640774 1072733394 /nfs/dbraw/zinc/73/33/94/1072733394.db2.gz VYTFSDBCFUYUCK-HXUWFJFHSA-N 1 2 457.604 1.028 20 30 JDEDLO C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507640774 1072733418 /nfs/dbraw/zinc/73/34/18/1072733418.db2.gz VYTFSDBCFUYUCK-HXUWFJFHSA-N 1 2 457.604 1.028 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001507642244 1072736274 /nfs/dbraw/zinc/73/62/74/1072736274.db2.gz RFCZLYHABXXAIH-AREMUKBSSA-N 1 2 463.582 1.884 20 30 JDEDLO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001507659075 1072749274 /nfs/dbraw/zinc/74/92/74/1072749274.db2.gz VHTDKMRQSYNCPG-DEOSSOPVSA-N 1 2 479.610 1.596 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001507660062 1072749950 /nfs/dbraw/zinc/74/99/50/1072749950.db2.gz LPFHGNMHDMTMFG-LJQANCHMSA-N 1 2 469.615 1.785 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507660954 1072750643 /nfs/dbraw/zinc/75/06/43/1072750643.db2.gz IMGQROXDBNKNKR-CJFMBICVSA-N 1 2 478.601 1.894 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507660954 1072750651 /nfs/dbraw/zinc/75/06/51/1072750651.db2.gz IMGQROXDBNKNKR-CJFMBICVSA-N 1 2 478.601 1.894 20 30 JDEDLO C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507678590 1072758279 /nfs/dbraw/zinc/75/82/79/1072758279.db2.gz KRYPXJCYAQDQCS-FDDCHVKYSA-N 1 2 454.579 1.890 20 30 JDEDLO C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507678590 1072758284 /nfs/dbraw/zinc/75/82/84/1072758284.db2.gz KRYPXJCYAQDQCS-FDDCHVKYSA-N 1 2 454.579 1.890 20 30 JDEDLO C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001507679851 1072759079 /nfs/dbraw/zinc/75/90/79/1072759079.db2.gz RWHPPFVSZMWQPW-UYAOXDASSA-N 1 2 460.604 1.249 20 30 JDEDLO C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001507679851 1072759090 /nfs/dbraw/zinc/75/90/90/1072759090.db2.gz RWHPPFVSZMWQPW-UYAOXDASSA-N 1 2 460.604 1.249 20 30 JDEDLO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001507690828 1072762348 /nfs/dbraw/zinc/76/23/48/1072762348.db2.gz XTPFRMRPPHNBKK-NHCUHLMSSA-N 1 2 470.643 1.850 20 30 JDEDLO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001507690860 1072762451 /nfs/dbraw/zinc/76/24/51/1072762451.db2.gz YBWJKWUSRNNJFA-WOJBJXKFSA-N 1 2 451.637 1.777 20 30 JDEDLO C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001507713147 1072771912 /nfs/dbraw/zinc/77/19/12/1072771912.db2.gz YUQVTHGCOOJZDP-YADHBBJMSA-N 1 2 466.586 1.697 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001507715609 1072773390 /nfs/dbraw/zinc/77/33/90/1072773390.db2.gz FCOFIDYCUJDWHC-HSZRJFAPSA-N 1 2 456.978 1.778 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001507715627 1072773453 /nfs/dbraw/zinc/77/34/53/1072773453.db2.gz FHIHUVMCOHYZLZ-UHFFFAOYSA-N 1 2 451.575 1.116 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001507715649 1072773505 /nfs/dbraw/zinc/77/35/05/1072773505.db2.gz GCFBYEVUAXHWFD-UHFFFAOYSA-N 1 2 454.535 1.205 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C(=O)NC)c2)CC1 ZINC001507715851 1072774336 /nfs/dbraw/zinc/77/43/36/1072774336.db2.gz JDIBITOYIVZFNN-UHFFFAOYSA-N 1 2 472.553 1.283 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2noc(CC)n2)CC1 ZINC001507716780 1072776023 /nfs/dbraw/zinc/77/60/23/1072776023.db2.gz USXLFLCFNMUTCF-UHFFFAOYSA-N 1 2 482.976 1.805 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2conc2COC)CC1 ZINC001507717396 1072776605 /nfs/dbraw/zinc/77/66/05/1072776605.db2.gz AZMPVNFYVAAYOC-UHFFFAOYSA-N 1 2 470.555 1.287 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCOC2)CC1 ZINC001507717691 1072777747 /nfs/dbraw/zinc/77/77/47/1072777747.db2.gz FTCMRDYZRZFSTM-HXUWFJFHSA-N 1 2 464.339 1.753 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001507717990 1072778253 /nfs/dbraw/zinc/77/82/53/1072778253.db2.gz KFEVKEPYUQLCEB-QFBILLFUSA-N 1 2 477.407 1.853 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001507718018 1072778282 /nfs/dbraw/zinc/77/82/82/1072778282.db2.gz KVWIXJCTGDRMOW-UHFFFAOYSA-N 1 2 470.484 1.455 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)NCc2ccco2)CC1 ZINC001507717941 1072778312 /nfs/dbraw/zinc/77/83/12/1072778312.db2.gz JIEGFDHIDNHGEM-UHFFFAOYSA-N 1 2 494.552 1.636 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccnc2OCCC)CC1 ZINC001507718060 1072778656 /nfs/dbraw/zinc/77/86/56/1072778656.db2.gz AGXSWOVBARWYDW-XMMPIXPASA-N 1 2 454.575 1.918 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](OC)C(C)C)CC1 ZINC001507718587 1072780038 /nfs/dbraw/zinc/78/00/38/1072780038.db2.gz FGJKGSAJKUXERK-IBGZPJMESA-N 1 2 473.647 1.973 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC2CC2)CC1 ZINC001507719178 1072782267 /nfs/dbraw/zinc/78/22/67/1072782267.db2.gz YXQJTZHJXHEPNT-UHFFFAOYSA-N 1 2 460.380 1.328 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001507719421 1072782322 /nfs/dbraw/zinc/78/23/22/1072782322.db2.gz NNXPTCVWRNTSAG-DEOSSOPVSA-N 1 2 476.622 1.990 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001507719425 1072782464 /nfs/dbraw/zinc/78/24/64/1072782464.db2.gz NNXPTCVWRNTSAG-XMMPIXPASA-N 1 2 476.622 1.990 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001507721099 1072785040 /nfs/dbraw/zinc/78/50/40/1072785040.db2.gz YGPCEKJDLPAIHB-RUZDIDTESA-N 1 2 484.576 1.563 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001507721155 1072785174 /nfs/dbraw/zinc/78/51/74/1072785174.db2.gz ZHNBOARAFWZYGY-RUZDIDTESA-N 1 2 466.586 1.436 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC2CCCC2)CC1 ZINC001507721393 1072785624 /nfs/dbraw/zinc/78/56/24/1072785624.db2.gz JNGVDAYMSXMGIJ-GOSISDBHSA-N 1 2 487.630 1.408 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OCC)CC1 ZINC001507721297 1072785729 /nfs/dbraw/zinc/78/57/29/1072785729.db2.gz ISLHLQUSVMPZOO-SFHVURJKSA-N 1 2 460.604 1.399 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507721817 1072786586 /nfs/dbraw/zinc/78/65/86/1072786586.db2.gz TZURWGXDMULKLX-HXUWFJFHSA-N 1 2 478.519 1.972 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(CC)CC)cc2)CC1 ZINC001507722465 1072789119 /nfs/dbraw/zinc/78/91/19/1072789119.db2.gz XVSXPSDJLYTMTA-LJQANCHMSA-N 1 2 473.647 1.538 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOc3ccccc32)CC1 ZINC001507722369 1072789242 /nfs/dbraw/zinc/78/92/42/1072789242.db2.gz VKAZHZMHKVDCPT-ZWKOTPCHSA-N 1 2 458.588 1.210 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001507722446 1072789348 /nfs/dbraw/zinc/78/93/48/1072789348.db2.gz XKYMCBLBLUVQBW-ZWKOTPCHSA-N 1 2 497.666 1.193 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(CC)CC)cc2)CC1 ZINC001507722464 1072789580 /nfs/dbraw/zinc/78/95/80/1072789580.db2.gz XVSXPSDJLYTMTA-IBGZPJMESA-N 1 2 473.647 1.538 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001507722700 1072790119 /nfs/dbraw/zinc/79/01/19/1072790119.db2.gz FVSXRSWJPVRMHN-GCJKJVERSA-N 1 2 455.559 1.769 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001507722804 1072790457 /nfs/dbraw/zinc/79/04/57/1072790457.db2.gz JOUUBEDFAPAKNS-UHFFFAOYSA-N 1 2 487.402 1.745 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(OC)cc(OC)cc2OC)CC1 ZINC001507723629 1072791805 /nfs/dbraw/zinc/79/18/05/1072791805.db2.gz OVFYOXKLHVYDEO-IBGZPJMESA-N 1 2 468.558 1.253 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc43)n2C[C@](C)(O)CCOC)CC1 ZINC001507723924 1072791824 /nfs/dbraw/zinc/79/18/24/1072791824.db2.gz ZKQOFLDZRKMYJJ-AREMUKBSSA-N 1 2 493.612 1.608 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001507723707 1072791833 /nfs/dbraw/zinc/79/18/33/1072791833.db2.gz RMYXXYXBYFBELQ-GOSISDBHSA-N 1 2 467.540 1.649 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001507723719 1072791920 /nfs/dbraw/zinc/79/19/20/1072791920.db2.gz RWYXUQVNTKBKQF-MSOLQXFVSA-N 1 2 457.579 1.384 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)CC1 ZINC001507724037 1072792474 /nfs/dbraw/zinc/79/24/74/1072792474.db2.gz DPEBHYHTXNRYDD-UHFFFAOYSA-N 1 2 450.996 1.217 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001507725093 1072794115 /nfs/dbraw/zinc/79/41/15/1072794115.db2.gz OUIJBXJHRVOCCQ-UHFFFAOYSA-N 1 2 453.547 1.389 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CC2(C(=O)NCC)CCC2)CC1 ZINC001507726640 1072794985 /nfs/dbraw/zinc/79/49/85/1072794985.db2.gz COXLIIZZIYIEMW-UHFFFAOYSA-N 1 2 450.587 1.961 20 30 JDEDLO C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001507727116 1072795780 /nfs/dbraw/zinc/79/57/80/1072795780.db2.gz GUPWVJFBKPBQHJ-OAQYLSRUSA-N 1 2 452.603 1.548 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCC(F)F)CC1 ZINC001507727207 1072795992 /nfs/dbraw/zinc/79/59/92/1072795992.db2.gz OROKNUQNQCIEBR-UHFFFAOYSA-N 1 2 470.528 1.982 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001507727637 1072796036 /nfs/dbraw/zinc/79/60/36/1072796036.db2.gz KEBLNQCKNKZMFI-OAQYLSRUSA-N 1 2 450.587 1.742 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccccc2)CC1 ZINC001507728954 1072797194 /nfs/dbraw/zinc/79/71/94/1072797194.db2.gz CCEPLTIAQBJAMU-CTNGQTDRSA-N 1 2 472.615 1.170 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccccc2)CC1 ZINC001507728957 1072798263 /nfs/dbraw/zinc/79/82/63/1072798263.db2.gz CCEPLTIAQBJAMU-TZIWHRDSSA-N 1 2 472.615 1.170 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2=CCCCC2)CC1 ZINC001507729125 1072798581 /nfs/dbraw/zinc/79/85/81/1072798581.db2.gz DZAOPUPBGXVWEU-HXUWFJFHSA-N 1 2 462.620 1.257 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)CC1 ZINC001507730539 1072799493 /nfs/dbraw/zinc/79/94/93/1072799493.db2.gz SJQSVZGECOYQIS-LJQANCHMSA-N 1 2 462.595 1.768 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)COCCO2)CC1 ZINC001507730883 1072799772 /nfs/dbraw/zinc/79/97/72/1072799772.db2.gz XMAGFUNBOBOIIR-NTKDMRAZSA-N 1 2 490.605 1.147 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC001507731676 1072800715 /nfs/dbraw/zinc/80/07/15/1072800715.db2.gz OGDDWZPYRDRVKQ-FQEVSTJZSA-N 1 2 472.615 1.574 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)CCC)CC1 ZINC001507731884 1072800936 /nfs/dbraw/zinc/80/09/36/1072800936.db2.gz RIZMCUYBCZPBQV-XMMPIXPASA-N 1 2 452.607 1.758 20 30 JDEDLO C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001507731765 1072800990 /nfs/dbraw/zinc/80/09/90/1072800990.db2.gz CLYCRTQEHHBZJR-OAQYLSRUSA-N 1 2 468.602 1.732 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(CCOC)c2)CC1 ZINC001507732227 1072801322 /nfs/dbraw/zinc/80/13/22/1072801322.db2.gz DHUAMVXJEWASRO-NHCUHLMSSA-N 1 2 455.607 1.843 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001507732414 1072801574 /nfs/dbraw/zinc/80/15/74/1072801574.db2.gz GZSDLKITHBSBGR-FLFXDLLNSA-N 1 2 474.606 1.344 20 30 JDEDLO C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001507732441 1072801621 /nfs/dbraw/zinc/80/16/21/1072801621.db2.gz VNLYIJHTNOFFNA-PMACEKPBSA-N 1 2 474.631 1.612 20 30 JDEDLO C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001507732447 1072801804 /nfs/dbraw/zinc/80/18/04/1072801804.db2.gz VNLYIJHTNOFFNA-WOJBJXKFSA-N 1 2 474.631 1.612 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001507732528 1072801897 /nfs/dbraw/zinc/80/18/97/1072801897.db2.gz WJDMQZXLUIJOGA-KRWDZBQOSA-N 1 2 450.465 1.922 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NCCC)CC1 ZINC001507732758 1072802052 /nfs/dbraw/zinc/80/20/52/1072802052.db2.gz KRCNIYZTTXWPCQ-KDURUIRLSA-N 1 2 473.622 1.720 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001507733057 1072802102 /nfs/dbraw/zinc/80/21/02/1072802102.db2.gz NSJYLSSRUJOEBR-QYZOEREBSA-N 1 2 462.595 1.671 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001507732819 1072802154 /nfs/dbraw/zinc/80/21/54/1072802154.db2.gz TVNWBQCASZFHIT-UHFFFAOYSA-N 1 2 488.658 1.801 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)Cc2cccc(F)c2)CC1 ZINC001507733128 1072802389 /nfs/dbraw/zinc/80/23/89/1072802389.db2.gz PQDNNHIWDFNUGA-REWPJTCUSA-N 1 2 484.576 1.255 20 30 JDEDLO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001507733368 1072802488 /nfs/dbraw/zinc/80/24/88/1072802488.db2.gz WROFKVLDMJLOSM-SFTDATJTSA-N 1 2 487.649 1.826 20 30 JDEDLO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001507733368 1072802489 /nfs/dbraw/zinc/80/24/89/1072802489.db2.gz WROFKVLDMJLOSM-SFTDATJTSA-N 1 2 487.649 1.826 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001507736059 1072806673 /nfs/dbraw/zinc/80/66/73/1072806673.db2.gz KMQAYLWACXVSFU-VWLOTQADSA-N 1 2 488.633 1.007 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001507740197 1072815367 /nfs/dbraw/zinc/81/53/67/1072815367.db2.gz JYXLKJFWJMSSNC-NRFANRHFSA-N 1 2 480.613 1.586 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001507740197 1072815374 /nfs/dbraw/zinc/81/53/74/1072815374.db2.gz JYXLKJFWJMSSNC-NRFANRHFSA-N 1 2 480.613 1.586 20 30 JDEDLO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001507765046 1072828470 /nfs/dbraw/zinc/82/84/70/1072828470.db2.gz QJALWSWRGUEAKP-VGOFRKELSA-N 1 2 473.603 1.160 20 30 JDEDLO C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001507765044 1072828571 /nfs/dbraw/zinc/82/85/71/1072828571.db2.gz QJALWSWRGUEAKP-HTAPYJJXSA-N 1 2 473.603 1.160 20 30 JDEDLO C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001507824966 1072843843 /nfs/dbraw/zinc/84/38/43/1072843843.db2.gz NRJFXLITTGGMHX-MRXNPFEDSA-N 1 2 466.583 1.934 20 30 JDEDLO C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001507836171 1072846323 /nfs/dbraw/zinc/84/63/23/1072846323.db2.gz ZHOUPBWPPRJRSA-LJQANCHMSA-N 1 2 461.611 1.142 20 30 JDEDLO C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001507872249 1072852785 /nfs/dbraw/zinc/85/27/85/1072852785.db2.gz BWKMPMJFOSAECL-QYZOEREBSA-N 1 2 467.014 1.888 20 30 JDEDLO C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001507897550 1072854782 /nfs/dbraw/zinc/85/47/82/1072854782.db2.gz RRSNAJWBPJOURA-QGZVFWFLSA-N 1 2 475.619 1.571 20 30 JDEDLO C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001507952875 1072859091 /nfs/dbraw/zinc/85/90/91/1072859091.db2.gz BQDBGLOSXOAGSB-IBGZPJMESA-N 1 2 479.607 1.196 20 30 JDEDLO C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507954350 1072859360 /nfs/dbraw/zinc/85/93/60/1072859360.db2.gz LQBJVWBZOQLUQN-HMXCVIKNSA-N 1 2 478.663 1.525 20 30 JDEDLO C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507954350 1072859363 /nfs/dbraw/zinc/85/93/63/1072859363.db2.gz LQBJVWBZOQLUQN-HMXCVIKNSA-N 1 2 478.663 1.525 20 30 JDEDLO C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001507983260 1072863250 /nfs/dbraw/zinc/86/32/50/1072863250.db2.gz POXUFMHKSRWQQW-ZWKOTPCHSA-N 1 2 484.573 1.814 20 30 JDEDLO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)C(C)C ZINC001508012097 1072866462 /nfs/dbraw/zinc/86/64/62/1072866462.db2.gz BKTNXYWJYWARTJ-OALUTQOASA-N 1 2 469.677 1.448 20 30 JDEDLO C=CC[NH+](CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)C(C)C ZINC001508012095 1072866571 /nfs/dbraw/zinc/86/65/71/1072866571.db2.gz BKTNXYWJYWARTJ-MOPGFXCFSA-N 1 2 469.677 1.448 20 30 JDEDLO C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508047440 1072869310 /nfs/dbraw/zinc/86/93/10/1072869310.db2.gz HOSWVUMPQFORHF-SFHVURJKSA-N 1 2 472.615 1.668 20 30 JDEDLO C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001508058513 1072870309 /nfs/dbraw/zinc/87/03/09/1072870309.db2.gz BRUCJNJUCBKTST-HNNXBMFYSA-N 1 2 451.515 1.457 20 30 JDEDLO C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001508072853 1072874584 /nfs/dbraw/zinc/87/45/84/1072874584.db2.gz KXYCYJVVWDZGCV-INIZCTEOSA-N 1 2 471.993 1.690 20 30 JDEDLO C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001508073676 1072875583 /nfs/dbraw/zinc/87/55/83/1072875583.db2.gz OQKHHHPXHQMKII-UHFFFAOYSA-N 1 2 495.609 1.675 20 30 JDEDLO C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001508078977 1072878468 /nfs/dbraw/zinc/87/84/68/1072878468.db2.gz LZSRXAFSBSYMPI-HSZRJFAPSA-N 1 2 492.628 1.350 20 30 JDEDLO C=CCNC(=O)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001508096473 1072891852 /nfs/dbraw/zinc/89/18/52/1072891852.db2.gz ALHSKPDMJCCTQV-XMMPIXPASA-N 1 2 469.590 1.645 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001508272277 1073040452 /nfs/dbraw/zinc/04/04/52/1073040452.db2.gz GCVCPARAAVIULW-FQEVSTJZSA-N 1 2 473.965 1.403 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001508272283 1073040668 /nfs/dbraw/zinc/04/06/68/1073040668.db2.gz GCVCPARAAVIULW-HXUWFJFHSA-N 1 2 473.965 1.403 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001508275857 1073046668 /nfs/dbraw/zinc/04/66/68/1073046668.db2.gz XJZJLGOPOBELOX-GOSISDBHSA-N 1 2 453.547 1.118 20 30 JDEDLO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001508854823 1073419072 /nfs/dbraw/zinc/41/90/72/1073419072.db2.gz MXOLERTUPARMBX-VGSWGCGISA-N 1 2 456.526 1.724 20 30 JDEDLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001509435741 1073618204 /nfs/dbraw/zinc/61/82/04/1073618204.db2.gz PDRVHNURMILENN-UXHICEINSA-N 1 2 488.614 1.434 20 30 JDEDLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001509435741 1073618214 /nfs/dbraw/zinc/61/82/14/1073618214.db2.gz PDRVHNURMILENN-UXHICEINSA-N 1 2 488.614 1.434 20 30 JDEDLO CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001509619138 1073742672 /nfs/dbraw/zinc/74/26/72/1073742672.db2.gz FTKVSIKITNSYCF-KRWDZBQOSA-N 1 2 452.563 1.825 20 30 JDEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164708459 719868927 /nfs/dbraw/zinc/86/89/27/719868927.db2.gz ZHTPTYSXNXLZAD-OJLQRUNKSA-N 1 2 467.526 1.643 20 30 JDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C ZINC001164707451 719874508 /nfs/dbraw/zinc/87/45/08/719874508.db2.gz STGFQEUWIDJIDS-DGGJZMOXSA-N 1 2 459.547 1.658 20 30 JDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164709615 719914991 /nfs/dbraw/zinc/91/49/91/719914991.db2.gz ZADSJEXDOBUNBB-IBGZPJMESA-N 1 2 474.544 1.955 20 30 JDEDLO CCOC(=O)c1cc(C)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C#N ZINC001164705237 720047552 /nfs/dbraw/zinc/04/75/52/720047552.db2.gz XBJZMHDNRXMXHY-UHFFFAOYSA-N 1 2 451.531 1.122 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722786 720298391 /nfs/dbraw/zinc/29/83/91/720298391.db2.gz ROQXJJDBOOPKBY-SBUREZEXSA-N 1 2 458.563 1.090 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722786 720298395 /nfs/dbraw/zinc/29/83/95/720298395.db2.gz ROQXJJDBOOPKBY-SBUREZEXSA-N 1 2 458.563 1.090 20 30 JDEDLO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826652 720384538 /nfs/dbraw/zinc/38/45/38/720384538.db2.gz XHLVOISORXMPPR-UHFFFAOYSA-N 1 2 450.572 1.860 20 30 JDEDLO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826652 720384544 /nfs/dbraw/zinc/38/45/44/720384544.db2.gz XHLVOISORXMPPR-UHFFFAOYSA-N 1 2 450.572 1.860 20 30 JDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)CC)CC1 ZINC001501769287 1069622203 /nfs/dbraw/zinc/62/22/03/1069622203.db2.gz ARUPZIOBDPZILG-UUWRZZSWSA-N 1 2 485.658 1.966 20 30 JDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)CC)CC1 ZINC001501769287 1069622230 /nfs/dbraw/zinc/62/22/30/1069622230.db2.gz ARUPZIOBDPZILG-UUWRZZSWSA-N 1 2 485.658 1.966 20 30 JDEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc2)C1 ZINC001478352277 1069975355 /nfs/dbraw/zinc/97/53/55/1069975355.db2.gz XXGKMCTZEGHRBY-ZNWBIBPKSA-N 1 2 452.964 1.291 20 30 JDEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc2)C1 ZINC001478352277 1069975367 /nfs/dbraw/zinc/97/53/67/1069975367.db2.gz XXGKMCTZEGHRBY-ZNWBIBPKSA-N 1 2 452.964 1.291 20 30 JDEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502315803 1070106589 /nfs/dbraw/zinc/10/65/89/1070106589.db2.gz VEBILZPGILOCER-FQEVSTJZSA-N 1 2 494.644 1.860 20 30 JDEDLO CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC001479284061 1070118313 /nfs/dbraw/zinc/11/83/13/1070118313.db2.gz DPDSVVDCDUBIGM-UHFFFAOYSA-N 1 2 455.584 1.977 20 30 JDEDLO CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001502426606 1070373464 /nfs/dbraw/zinc/37/34/64/1070373464.db2.gz HAWZQJUXIFZVPZ-UHFFFAOYSA-N 1 2 460.542 1.527 20 30 JDEDLO CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001494779625 1070742067 /nfs/dbraw/zinc/74/20/67/1070742067.db2.gz LIMFSCBTMWYOPB-XMMPIXPASA-N 1 2 451.575 1.722 20 30 JDEDLO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 ZINC001503383575 1071639771 /nfs/dbraw/zinc/63/97/71/1071639771.db2.gz SWBGVAUZCIEWBQ-SPYBWZPUSA-N 1 2 452.581 1.987 20 30 JDEDLO COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001504887880 1071811250 /nfs/dbraw/zinc/81/12/50/1071811250.db2.gz FSRJTUMBKFWUQT-FQEVSTJZSA-N 1 2 455.563 1.818 20 30 JDEDLO COCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001504913541 1071873077 /nfs/dbraw/zinc/87/30/77/1071873077.db2.gz JYHDOYSOTIARLH-UHFFFAOYSA-N 1 2 453.591 1.696 20 30 JDEDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CCNC(=O)C1N=CC=CC1=O ZINC001503619308 1071908282 /nfs/dbraw/zinc/90/82/82/1071908282.db2.gz GAJDUQGONIXESB-LSDHQDQOSA-N 1 2 451.531 1.240 20 30 JDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)c(Br)c(OC)c2N)CC1 ZINC001464844520 1067673314 /nfs/dbraw/zinc/67/33/14/1067673314.db2.gz IKKJBUTVDKWWES-UHFFFAOYSA-N 1 2 457.756 1.591 20 30 JDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(Br)c(OC)c2N)CC1 ZINC001464844520 1067673321 /nfs/dbraw/zinc/67/33/21/1067673321.db2.gz IKKJBUTVDKWWES-UHFFFAOYSA-N 1 2 457.756 1.591 20 30 JDEDLO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001465307746 1067777239 /nfs/dbraw/zinc/77/72/39/1067777239.db2.gz KSUFCSFORMXNDY-LJQANCHMSA-N 1 2 456.568 1.175 20 30 JDEDLO N#Cc1cccc(C2(NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC001467645511 1068042462 /nfs/dbraw/zinc/04/24/62/1068042462.db2.gz BMBYXINFQCSZOV-UHFFFAOYSA-N 1 2 454.556 1.394 20 30 JDEDLO CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001467746254 1068060918 /nfs/dbraw/zinc/06/09/18/1068060918.db2.gz VTUQGWPEYUCMCM-ZIFCJYIRSA-N 1 2 450.605 1.852 20 30 JDEDLO CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001467746254 1068060932 /nfs/dbraw/zinc/06/09/32/1068060932.db2.gz VTUQGWPEYUCMCM-ZIFCJYIRSA-N 1 2 450.605 1.852 20 30 JDEDLO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001467746253 1068061050 /nfs/dbraw/zinc/06/10/50/1068061050.db2.gz VTUQGWPEYUCMCM-SCTDSRPQSA-N 1 2 450.605 1.852 20 30 JDEDLO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001467746253 1068061064 /nfs/dbraw/zinc/06/10/64/1068061064.db2.gz VTUQGWPEYUCMCM-SCTDSRPQSA-N 1 2 450.605 1.852 20 30 JDEDLO C#CC[N@H+](C)CCCNC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1 ZINC001468544793 1068309457 /nfs/dbraw/zinc/30/94/57/1068309457.db2.gz DDUNHCHIVVDRAJ-LJQANCHMSA-N 1 2 455.584 1.794 20 30 JDEDLO C#CC[N@@H+](C)CCCNC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1 ZINC001468544793 1068309477 /nfs/dbraw/zinc/30/94/77/1068309477.db2.gz DDUNHCHIVVDRAJ-LJQANCHMSA-N 1 2 455.584 1.794 20 30 JDEDLO COCC(COC)[NH+]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 ZINC001468987679 1068416598 /nfs/dbraw/zinc/41/65/98/1068416598.db2.gz ULVZOLPOHLBOIL-UHFFFAOYSA-N 1 2 451.365 1.563 20 30 JDEDLO N#Cc1cc(F)ccc1N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001471227594 1068844752 /nfs/dbraw/zinc/84/47/52/1068844752.db2.gz WORZWJOWHNCYEO-UHFFFAOYSA-N 1 2 450.518 1.870 20 30 JDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC001473006750 1069057252 /nfs/dbraw/zinc/05/72/52/1069057252.db2.gz ZTJPTKUZNADIDW-UHFFFAOYSA-N 1 2 455.515 1.063 20 30 JDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COc2cc(Br)ccc2C#N)CC1 ZINC001473041939 1069065131 /nfs/dbraw/zinc/06/51/31/1069065131.db2.gz KMKRBTOGGGACEM-UHFFFAOYSA-N 1 2 456.304 1.725 20 30 JDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCN(C(=O)Oc4ccccc4)CC3)CC2)o1 ZINC001473171063 1069088952 /nfs/dbraw/zinc/08/89/52/1069088952.db2.gz VZMGPMGFVSFJLZ-UHFFFAOYSA-N 1 2 452.515 1.710 20 30 JDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCN(C(=O)Oc4ccccc4)CC3)CC2)o1 ZINC001473171063 1069088955 /nfs/dbraw/zinc/08/89/55/1069088955.db2.gz VZMGPMGFVSFJLZ-UHFFFAOYSA-N 1 2 452.515 1.710 20 30 JDEDLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)CCC1 ZINC001473236419 1069103600 /nfs/dbraw/zinc/10/36/00/1069103600.db2.gz NELZQPPYRPCQPV-QGZVFWFLSA-N 1 2 451.593 1.547 20 30 JDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC001473779567 1069222479 /nfs/dbraw/zinc/22/24/79/1069222479.db2.gz QNTQWAVICUNWPG-YFVAEKQCSA-N 1 2 450.543 1.814 20 30 JDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC001473779567 1069222491 /nfs/dbraw/zinc/22/24/91/1069222491.db2.gz QNTQWAVICUNWPG-YFVAEKQCSA-N 1 2 450.543 1.814 20 30 JDEDLO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001507548826 1072609601 /nfs/dbraw/zinc/60/96/01/1072609601.db2.gz WLCIEYXYMJRFRM-UHFFFAOYSA-N 1 2 481.601 1.583 20 30 JDEDLO C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001507570522 1072624860 /nfs/dbraw/zinc/62/48/60/1072624860.db2.gz QFVMXYRRBSIEEB-HXUWFJFHSA-N 1 2 455.607 1.337 20 30 JDEDLO C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001507570520 1072624982 /nfs/dbraw/zinc/62/49/82/1072624982.db2.gz QFVMXYRRBSIEEB-FQEVSTJZSA-N 1 2 455.607 1.337 20 30 JDEDLO C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001507574696 1072627990 /nfs/dbraw/zinc/62/79/90/1072627990.db2.gz BEDQSJUTPGMFEP-SFHVURJKSA-N 1 2 484.626 1.551 20 30 JDEDLO C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001507601952 1072637832 /nfs/dbraw/zinc/63/78/32/1072637832.db2.gz WQZUPZNXRBGCSO-QUCCMNQESA-N 1 2 460.604 1.340 20 30 JDEDLO C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001507616575 1072640499 /nfs/dbraw/zinc/64/04/99/1072640499.db2.gz KYFOQGAAWWYRCT-HXUWFJFHSA-N 1 2 487.630 1.360 20 30 JDEDLO C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCc1cccc(C)[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001507622299 1072647301 /nfs/dbraw/zinc/64/73/01/1072647301.db2.gz DHZMTKKRBGQNBT-FQEVSTJZSA-N 1 2 470.599 1.477 20 30 JDEDLO C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507623840 1072654029 /nfs/dbraw/zinc/65/40/29/1072654029.db2.gz YCJWXQRYIGIIIW-IBGZPJMESA-N 1 2 464.636 1.309 20 30 JDEDLO C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001507634075 1072707184 /nfs/dbraw/zinc/70/71/84/1072707184.db2.gz IRTBBTGWBFDXID-FQEVSTJZSA-N 1 2 465.583 1.400 20 30 JDEDLO C#CCN(c1nnc([C@H]2CCCOC2)n1CCCNc1cccc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001507634578 1072708389 /nfs/dbraw/zinc/70/83/89/1072708389.db2.gz ZEOSOALLASQWCB-RBUKOAKNSA-N 1 2 458.588 1.696 20 30 JDEDLO C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507637501 1072718510 /nfs/dbraw/zinc/71/85/10/1072718510.db2.gz BHKPVFVLWMEKEI-RBUKOAKNSA-N 1 2 490.655 1.392 20 30 JDEDLO C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(N(CC)CC)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001507638893 1072723295 /nfs/dbraw/zinc/72/32/95/1072723295.db2.gz HQPGUSHIPDSGSY-FQEVSTJZSA-N 1 2 499.641 1.317 20 30 JDEDLO C#CCN(c1nnc(COCC)n1C[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507638751 1072723373 /nfs/dbraw/zinc/72/33/73/1072723373.db2.gz SMZSWWUFPHYKTP-RBUKOAKNSA-N 1 2 461.588 1.871 20 30 JDEDLO C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(N(CC)CC)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001507638895 1072723967 /nfs/dbraw/zinc/72/39/67/1072723967.db2.gz HQPGUSHIPDSGSY-HXUWFJFHSA-N 1 2 499.641 1.317 20 30 JDEDLO C#CCN(c1nnc(COc2ccccc2F)n1CC[N@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507640424 1072731692 /nfs/dbraw/zinc/73/16/92/1072731692.db2.gz SCNWTEOWOVCAGU-LJQANCHMSA-N 1 2 473.574 1.885 20 30 JDEDLO C#CCN(c1nnc(COc2ccccc2F)n1CC[N@@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507640424 1072731714 /nfs/dbraw/zinc/73/17/14/1072731714.db2.gz SCNWTEOWOVCAGU-LJQANCHMSA-N 1 2 473.574 1.885 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001507642245 1072736599 /nfs/dbraw/zinc/73/65/99/1072736599.db2.gz RFCZLYHABXXAIH-SANMLTNESA-N 1 2 463.582 1.884 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507643182 1072737478 /nfs/dbraw/zinc/73/74/78/1072737478.db2.gz RQQIUYDGSJPDFZ-LJQANCHMSA-N 1 2 452.534 1.794 20 30 JDEDLO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507656149 1072747801 /nfs/dbraw/zinc/74/78/01/1072747801.db2.gz DNFKYGDHNCTIBE-SFHVURJKSA-N 1 2 489.609 1.843 20 30 JDEDLO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507656149 1072747808 /nfs/dbraw/zinc/74/78/08/1072747808.db2.gz DNFKYGDHNCTIBE-SFHVURJKSA-N 1 2 489.609 1.843 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001507659041 1072748931 /nfs/dbraw/zinc/74/89/31/1072748931.db2.gz LAJWRYXZUGIFMT-AQNXPRMDSA-N 1 2 456.591 1.842 20 30 JDEDLO C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507699877 1072763887 /nfs/dbraw/zinc/76/38/87/1072763887.db2.gz KHAVWONLDUTNRR-UEXGIBASSA-N 1 2 454.579 1.962 20 30 JDEDLO C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507699877 1072763900 /nfs/dbraw/zinc/76/39/00/1072763900.db2.gz KHAVWONLDUTNRR-UEXGIBASSA-N 1 2 454.579 1.962 20 30 JDEDLO C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001507713145 1072771878 /nfs/dbraw/zinc/77/18/78/1072771878.db2.gz YUQVTHGCOOJZDP-FGZHOGPDSA-N 1 2 466.586 1.697 20 30 JDEDLO C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001507713144 1072771979 /nfs/dbraw/zinc/77/19/79/1072771979.db2.gz YUQVTHGCOOJZDP-FCHUYYIVSA-N 1 2 466.586 1.697 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC001507715811 1072773957 /nfs/dbraw/zinc/77/39/57/1072773957.db2.gz IFGSFCKSAHRHLK-UHFFFAOYSA-N 1 2 463.586 1.286 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001507716170 1072775214 /nfs/dbraw/zinc/77/52/14/1072775214.db2.gz NLASNVFWWHXKPM-HXUWFJFHSA-N 1 2 485.633 1.916 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OCCOC)CC1 ZINC001507717143 1072776092 /nfs/dbraw/zinc/77/60/92/1072776092.db2.gz YTIZKZVTSBEAPR-UHFFFAOYSA-N 1 2 476.541 1.149 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CCOC2)CC1 ZINC001507717690 1072777419 /nfs/dbraw/zinc/77/74/19/1072777419.db2.gz FTCMRDYZRZFSTM-FQEVSTJZSA-N 1 2 464.339 1.753 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CSCCS2)CC1 ZINC001507717759 1072777582 /nfs/dbraw/zinc/77/75/82/1072777582.db2.gz ILCNQGQUUKCKAQ-GOSISDBHSA-N 1 2 477.681 1.952 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001507717989 1072778218 /nfs/dbraw/zinc/77/82/18/1072778218.db2.gz KFEVKEPYUQLCEB-LPHOPBHVSA-N 1 2 477.407 1.853 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001507718385 1072779028 /nfs/dbraw/zinc/77/90/28/1072779028.db2.gz DAERAFXRHFYKNQ-RUZDIDTESA-N 1 2 472.634 1.913 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)COC)CC1 ZINC001507718308 1072779162 /nfs/dbraw/zinc/77/91/62/1072779162.db2.gz NXDLYIOLZURQER-UHFFFAOYSA-N 1 2 474.631 1.623 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)COC)CC1 ZINC001507718172 1072779377 /nfs/dbraw/zinc/77/93/77/1072779377.db2.gz CJWWCTJNRDETLZ-QGZVFWFLSA-N 1 2 459.620 1.584 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncccc2C)CC1 ZINC001507718866 1072780104 /nfs/dbraw/zinc/78/01/04/1072780104.db2.gz TXUBYPKYNQRQHP-UHFFFAOYSA-N 1 2 450.568 1.856 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOC(C)C)CC1 ZINC001507718819 1072780402 /nfs/dbraw/zinc/78/04/02/1072780402.db2.gz IAGWUGBGERPOJK-UHFFFAOYSA-N 1 2 459.620 1.727 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001507718649 1072780432 /nfs/dbraw/zinc/78/04/32/1072780432.db2.gz SXCADZKXVJGCDK-CYFREDJKSA-N 1 2 486.642 1.502 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 ZINC001507718502 1072780546 /nfs/dbraw/zinc/78/05/46/1072780546.db2.gz DTHDTRVMOYRFGZ-VQTJNVASSA-N 1 2 456.595 1.160 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)nn2C)CC1 ZINC001507718886 1072780877 /nfs/dbraw/zinc/78/08/77/1072780877.db2.gz UQOAMDJDYSWZOV-UHFFFAOYSA-N 1 2 453.572 1.194 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001507718970 1072781378 /nfs/dbraw/zinc/78/13/78/1072781378.db2.gz IRJCYHVVJHRUHE-OAQYLSRUSA-N 1 2 456.616 1.611 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2(O)CCC2)CC1 ZINC001507718879 1072781530 /nfs/dbraw/zinc/78/15/30/1072781530.db2.gz UKQWAPVGWDGXHH-UHFFFAOYSA-N 1 2 472.615 1.256 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2OC)CC1 ZINC001507719543 1072782028 /nfs/dbraw/zinc/78/20/28/1072782028.db2.gz OOLOBDQIWBFWDI-XMMPIXPASA-N 1 2 455.559 1.751 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001507719914 1072783082 /nfs/dbraw/zinc/78/30/82/1072783082.db2.gz BZMMMJYVQCQQRD-UHFFFAOYSA-N 1 2 466.586 1.976 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001507720167 1072783117 /nfs/dbraw/zinc/78/31/17/1072783117.db2.gz SKOUKSFCIJNIQN-HSZRJFAPSA-N 1 2 460.579 1.164 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)N(C)C)CC1 ZINC001507719934 1072783292 /nfs/dbraw/zinc/78/32/92/1072783292.db2.gz CHRAWXZTSSOMJY-UHFFFAOYSA-N 1 2 454.575 1.974 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C3OCCO3)c2)CC1 ZINC001507721153 1072784951 /nfs/dbraw/zinc/78/49/51/1072784951.db2.gz ZGZSCQVGJDBZKT-LJQANCHMSA-N 1 2 455.559 1.851 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2COCCO2)CC1 ZINC001507720766 1072785134 /nfs/dbraw/zinc/78/51/34/1072785134.db2.gz FTMFTGPWRNTIFU-KNQAVFIVSA-N 1 2 455.559 1.987 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCSCC2)CC1 ZINC001507721598 1072785521 /nfs/dbraw/zinc/78/55/21/1072785521.db2.gz WPSBOBMHUUCBQA-UHFFFAOYSA-N 1 2 474.656 1.153 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001507721512 1072785584 /nfs/dbraw/zinc/78/55/84/1072785584.db2.gz UOUWUUADGOYHGK-HXUWFJFHSA-N 1 2 487.626 1.547 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001507721486 1072785606 /nfs/dbraw/zinc/78/56/06/1072785606.db2.gz UCJKQRCBCDTOGA-UHFFFAOYSA-N 1 2 498.575 1.988 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNS(=O)(=O)CC)CC1 ZINC001507721392 1072785797 /nfs/dbraw/zinc/78/57/97/1072785797.db2.gz OCNFCCAXJRTPAX-UHFFFAOYSA-N 1 2 466.995 1.302 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc3ccc(F)cc3c2C)CC1 ZINC001507721350 1072785938 /nfs/dbraw/zinc/78/59/38/1072785938.db2.gz JDCLVRUFXCUCOX-MRXNPFEDSA-N 1 2 474.562 1.886 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC(c3ccccc3)C2)CC1 ZINC001507721654 1072786382 /nfs/dbraw/zinc/78/63/82/1072786382.db2.gz KSDSAJFOKJMWHX-JSOIOWGOSA-N 1 2 456.616 1.837 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCn2cnnn2)CC1 ZINC001507721793 1072786825 /nfs/dbraw/zinc/78/68/25/1072786825.db2.gz YMDAMYXFSNKEOD-UHFFFAOYSA-N 1 2 462.381 1.601 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCOc3ccccc32)CC1 ZINC001507722367 1072788154 /nfs/dbraw/zinc/78/81/54/1072788154.db2.gz VKAZHZMHKVDCPT-QZTJIDSGSA-N 1 2 458.588 1.210 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001507722321 1072788252 /nfs/dbraw/zinc/78/82/52/1072788252.db2.gz URHWCBJRGODBHW-MSOLQXFVSA-N 1 2 495.650 1.043 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2cccc(F)c2)CC1 ZINC001507722335 1072788330 /nfs/dbraw/zinc/78/83/30/1072788330.db2.gz UUMZZLCQLXZYSG-SJORKVTESA-N 1 2 464.567 1.250 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC(F)(F)F)CC1 ZINC001507722363 1072788353 /nfs/dbraw/zinc/78/83/53/1072788353.db2.gz VHHQKZDPRHYCIS-OAHLLOKOSA-N 1 2 486.520 1.590 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001507722623 1072789228 /nfs/dbraw/zinc/78/92/28/1072789228.db2.gz CBDQSMOHYZNFKI-LJQANCHMSA-N 1 2 482.585 1.212 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001507722436 1072789315 /nfs/dbraw/zinc/78/93/15/1072789315.db2.gz XARYFIBKDVYGGH-GFCCVEGCSA-N 1 2 477.538 1.167 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)N(C)C)CC1 ZINC001507723106 1072790051 /nfs/dbraw/zinc/79/00/51/1072790051.db2.gz VDHCBSBPKSRBHC-UHFFFAOYSA-N 1 2 481.420 1.354 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CCCNS(C)(=O)=O)CC1 ZINC001507722802 1072790209 /nfs/dbraw/zinc/79/02/09/1072790209.db2.gz JHXASIDELLCJGI-UHFFFAOYSA-N 1 2 453.572 1.188 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(OCCOC)CCOCC2)CC1 ZINC001507723424 1072791045 /nfs/dbraw/zinc/79/10/45/1072791045.db2.gz IEKGOXOEIKFAEZ-UHFFFAOYSA-N 1 2 454.575 1.616 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001507723562 1072791273 /nfs/dbraw/zinc/79/12/73/1072791273.db2.gz MUCFNRUZZBQODM-UHFFFAOYSA-N 1 2 450.568 1.856 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)CC1 ZINC001507723640 1072791742 /nfs/dbraw/zinc/79/17/42/1072791742.db2.gz PIKFUNMTNHCSHE-INIZCTEOSA-N 1 2 463.464 1.369 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)CC1 ZINC001507723641 1072792072 /nfs/dbraw/zinc/79/20/72/1072792072.db2.gz PIKFUNMTNHCSHE-MRXNPFEDSA-N 1 2 463.464 1.369 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507724940 1072793604 /nfs/dbraw/zinc/79/36/04/1072793604.db2.gz YLWBIKIJXQKJIB-FQEVSTJZSA-N 1 2 477.535 1.672 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccccc2F)CC1 ZINC001507725838 1072794221 /nfs/dbraw/zinc/79/42/21/1072794221.db2.gz BLHPIPYPAFCQSR-UHFFFAOYSA-N 1 2 464.549 1.464 20 30 JDEDLO C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001507727109 1072796335 /nfs/dbraw/zinc/79/63/35/1072796335.db2.gz GUPWVJFBKPBQHJ-NRFANRHFSA-N 1 2 452.603 1.548 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001507728305 1072797139 /nfs/dbraw/zinc/79/71/39/1072797139.db2.gz XIKMEQQAVGJYSF-SFHVURJKSA-N 1 2 459.595 1.317 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001507728331 1072797567 /nfs/dbraw/zinc/79/75/67/1072797567.db2.gz XTZRUINPWCVQRD-UHFFFAOYSA-N 1 2 477.495 1.077 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)cn2)CC1 ZINC001507729924 1072798064 /nfs/dbraw/zinc/79/80/64/1072798064.db2.gz LFXIUFVEKNLTGI-FQEVSTJZSA-N 1 2 485.564 1.924 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccccc2)CC1 ZINC001507728956 1072798618 /nfs/dbraw/zinc/79/86/18/1072798618.db2.gz CCEPLTIAQBJAMU-PZJWPPBQSA-N 1 2 472.615 1.170 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)COCCO2)CC1 ZINC001507730881 1072799027 /nfs/dbraw/zinc/79/90/27/1072799027.db2.gz XMAGFUNBOBOIIR-CYFREDJKSA-N 1 2 490.605 1.147 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nccs2)CC1 ZINC001507730262 1072799111 /nfs/dbraw/zinc/79/91/11/1072799111.db2.gz PWKOZGDPSFHFIL-QGZVFWFLSA-N 1 2 473.603 1.847 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCNC(C)=O)CC1 ZINC001507731151 1072800066 /nfs/dbraw/zinc/80/00/66/1072800066.db2.gz BYLYTDZYIAHYKQ-UHFFFAOYSA-N 1 2 473.622 1.674 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC001507731357 1072800175 /nfs/dbraw/zinc/80/01/75/1072800175.db2.gz GPRIHWGUQPXHBA-JOCHJYFZSA-N 1 2 466.586 1.790 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(=O)NC)CC1 ZINC001507731445 1072800367 /nfs/dbraw/zinc/80/03/67/1072800367.db2.gz IWFCGDSDYDXJQX-UHFFFAOYSA-N 1 2 459.595 1.284 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)CC1 ZINC001507731572 1072800486 /nfs/dbraw/zinc/80/04/86/1072800486.db2.gz LYLKDKLUDXNGGT-PMACEKPBSA-N 1 2 474.606 1.563 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC=C)CC1 ZINC001507731660 1072800687 /nfs/dbraw/zinc/80/06/87/1072800687.db2.gz NZBXXQIZYZWLAN-LJQANCHMSA-N 1 2 471.606 1.450 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCCO)CC1 ZINC001507731672 1072800738 /nfs/dbraw/zinc/80/07/38/1072800738.db2.gz OCTHQLKIKNKBPE-UHFFFAOYSA-N 1 2 452.607 1.760 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001507732205 1072801388 /nfs/dbraw/zinc/80/13/88/1072801388.db2.gz JYOTWEPAUZBXRX-OAQYLSRUSA-N 1 2 486.642 1.599 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(C(=O)NCC)CCC2)CC1 ZINC001507732522 1072801884 /nfs/dbraw/zinc/80/18/84/1072801884.db2.gz OJKLLJQWDBLKSW-UHFFFAOYSA-N 1 2 466.586 1.927 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCCCO)CC1 ZINC001507733459 1072802324 /nfs/dbraw/zinc/80/23/24/1072802324.db2.gz ZJGPJDUQWJRXKX-KDURUIRLSA-N 1 2 462.595 1.203 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001507736058 1072806738 /nfs/dbraw/zinc/80/67/38/1072806738.db2.gz KMQAYLWACXVSFU-RUZDIDTESA-N 1 2 488.633 1.007 20 30 JDEDLO C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507769661 1072828537 /nfs/dbraw/zinc/82/85/37/1072828537.db2.gz LNTRMRVALMRLLJ-RUZDIDTESA-N 1 2 461.570 1.885 20 30 JDEDLO C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001507785408 1072833953 /nfs/dbraw/zinc/83/39/53/1072833953.db2.gz QNTNJCNPNHSQEV-IAGOWNOFSA-N 1 2 467.412 1.824 20 30 JDEDLO C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001507785409 1072833979 /nfs/dbraw/zinc/83/39/79/1072833979.db2.gz QNTNJCNPNHSQEV-IRXDYDNUSA-N 1 2 467.412 1.824 20 30 JDEDLO C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001507789711 1072834675 /nfs/dbraw/zinc/83/46/75/1072834675.db2.gz JDXHFMWADJIHCE-UHFFFAOYSA-N 1 2 469.409 1.947 20 30 JDEDLO C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001507821785 1072843027 /nfs/dbraw/zinc/84/30/27/1072843027.db2.gz JORVLNHFDFDFBG-UHFFFAOYSA-N 1 2 452.567 1.776 20 30 JDEDLO C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001507829442 1072844217 /nfs/dbraw/zinc/84/42/17/1072844217.db2.gz XOVGOMVSGPGEPQ-UHFFFAOYSA-N 1 2 464.578 1.487 20 30 JDEDLO C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001507872247 1072852739 /nfs/dbraw/zinc/85/27/39/1072852739.db2.gz BWKMPMJFOSAECL-FHWLQOOXSA-N 1 2 467.014 1.888 20 30 JDEDLO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC(OCC)C2)CC1 ZINC001507896439 1072854536 /nfs/dbraw/zinc/85/45/36/1072854536.db2.gz JLRKWPQFMKLWKD-QRGRWYIGSA-N 1 2 496.678 1.561 20 30 JDEDLO C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507954352 1072859528 /nfs/dbraw/zinc/85/95/28/1072859528.db2.gz LQBJVWBZOQLUQN-TYPHKJRUSA-N 1 2 478.663 1.525 20 30 JDEDLO C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507954352 1072859532 /nfs/dbraw/zinc/85/95/32/1072859532.db2.gz LQBJVWBZOQLUQN-TYPHKJRUSA-N 1 2 478.663 1.525 20 30 JDEDLO C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001507962287 1072861061 /nfs/dbraw/zinc/86/10/61/1072861061.db2.gz PKXAZAGIPVLOFN-HXUWFJFHSA-N 1 2 468.606 1.851 20 30 JDEDLO C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001507980378 1072863077 /nfs/dbraw/zinc/86/30/77/1072863077.db2.gz GJZPQUXZCNMUBA-LJQANCHMSA-N 1 2 475.619 1.667 20 30 JDEDLO C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001508072204 1072873629 /nfs/dbraw/zinc/87/36/29/1072873629.db2.gz OIBLXSRCCRECDF-UHFFFAOYSA-N 1 2 454.579 1.522 20 30 JDEDLO C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001508086453 1072883013 /nfs/dbraw/zinc/88/30/13/1072883013.db2.gz LOWUXAOPAGTFHF-KRWDZBQOSA-N 1 2 467.578 1.080 20 30 JDEDLO C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508087538 1072883585 /nfs/dbraw/zinc/88/35/85/1072883585.db2.gz SWYQHEADVGXQNB-NRFANRHFSA-N 1 2 479.629 1.612 20 30 JDEDLO C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001508093007 1072888522 /nfs/dbraw/zinc/88/85/22/1072888522.db2.gz SYDZWVCFVNSAJI-LJQANCHMSA-N 1 2 490.605 1.334 20 30 JDEDLO C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001508093007 1072888527 /nfs/dbraw/zinc/88/85/27/1072888527.db2.gz SYDZWVCFVNSAJI-LJQANCHMSA-N 1 2 490.605 1.334 20 30 JDEDLO C=CCNC(=O)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001508096469 1072891504 /nfs/dbraw/zinc/89/15/04/1072891504.db2.gz ALHSKPDMJCCTQV-DEOSSOPVSA-N 1 2 469.590 1.645 20 30 JDEDLO C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001508118050 1072897990 /nfs/dbraw/zinc/89/79/90/1072897990.db2.gz VZWCBMBJJFZMDK-WMZOPIPTSA-N 1 2 459.576 1.560 20 30 JDEDLO C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001508118042 1072898036 /nfs/dbraw/zinc/89/80/36/1072898036.db2.gz VZWCBMBJJFZMDK-FUHWJXTLSA-N 1 2 459.576 1.560 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001508129178 1072901531 /nfs/dbraw/zinc/90/15/31/1072901531.db2.gz ALCJPDYGUKHCEB-UHFFFAOYSA-N 1 2 459.576 1.058 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001508130031 1072902544 /nfs/dbraw/zinc/90/25/44/1072902544.db2.gz GDVOVTSVWVOIQZ-LJQANCHMSA-N 1 2 474.631 1.728 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001508130031 1072902557 /nfs/dbraw/zinc/90/25/57/1072902557.db2.gz GDVOVTSVWVOIQZ-LJQANCHMSA-N 1 2 474.631 1.728 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001508143940 1072921300 /nfs/dbraw/zinc/92/13/00/1072921300.db2.gz LKLQRFZJIFLWST-UHFFFAOYSA-N 1 2 450.634 1.767 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001508145449 1072924042 /nfs/dbraw/zinc/92/40/42/1072924042.db2.gz MHGLGXJRNVRZSO-CTNGQTDRSA-N 1 2 494.706 1.846 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001508145449 1072924049 /nfs/dbraw/zinc/92/40/49/1072924049.db2.gz MHGLGXJRNVRZSO-CTNGQTDRSA-N 1 2 494.706 1.846 20 30 JDEDLO C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001508152636 1072930676 /nfs/dbraw/zinc/93/06/76/1072930676.db2.gz PCCRCUORWQGDLH-INIZCTEOSA-N 1 2 451.622 1.529 20 30 JDEDLO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001508261308 1073029435 /nfs/dbraw/zinc/02/94/35/1073029435.db2.gz QUQSTCIJWQZIMU-UHFFFAOYSA-N 1 2 480.617 1.423 20 30 JDEDLO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001508261308 1073029445 /nfs/dbraw/zinc/02/94/45/1073029445.db2.gz QUQSTCIJWQZIMU-UHFFFAOYSA-N 1 2 480.617 1.423 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001508273675 1073041769 /nfs/dbraw/zinc/04/17/69/1073041769.db2.gz MRVWDDRZGYGYLP-OAQYLSRUSA-N 1 2 453.547 1.058 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001508273132 1073041842 /nfs/dbraw/zinc/04/18/42/1073041842.db2.gz LKLVNQJKJPPXCG-UTKZUKDTSA-N 1 2 455.538 1.687 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)CC1 ZINC001508273732 1073042387 /nfs/dbraw/zinc/04/23/87/1073042387.db2.gz NEPBOARGINFCAE-UHFFFAOYSA-N 1 2 470.603 1.174 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001508275187 1073045601 /nfs/dbraw/zinc/04/56/01/1073045601.db2.gz STFHAMYTAMDBOS-QFIPXVFZSA-N 1 2 459.501 1.602 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001508276995 1073050003 /nfs/dbraw/zinc/05/00/03/1073050003.db2.gz DHEBFOQAILYEKG-LJQANCHMSA-N 1 2 480.621 1.355 20 30 JDEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001508427085 1073222301 /nfs/dbraw/zinc/22/23/01/1073222301.db2.gz XZCAVGRJGWEORM-SJLPKXTDSA-N 1 2 459.576 1.056 20 30 JDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001508433597 1073231607 /nfs/dbraw/zinc/23/16/07/1073231607.db2.gz NXRTULTXZBTVOZ-GOSISDBHSA-N 1 2 492.628 1.911 20 30 JDEDLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001509435744 1073617702 /nfs/dbraw/zinc/61/77/02/1073617702.db2.gz PDRVHNURMILENN-VQTJNVASSA-N 1 2 488.614 1.434 20 30 JDEDLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001509435744 1073617711 /nfs/dbraw/zinc/61/77/11/1073617711.db2.gz PDRVHNURMILENN-VQTJNVASSA-N 1 2 488.614 1.434 20 30 JDEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164708454 719868854 /nfs/dbraw/zinc/86/88/54/719868854.db2.gz ZHTPTYSXNXLZAD-HOZJOUCCSA-N 1 2 467.526 1.643 20 30 JDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C ZINC001164707453 719874429 /nfs/dbraw/zinc/87/44/29/719874429.db2.gz STGFQEUWIDJIDS-QQMNAOGKSA-N 1 2 459.547 1.658 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)C2)C1 ZINC001164720431 720264877 /nfs/dbraw/zinc/26/48/77/720264877.db2.gz VVLLMCIAROZLDL-LJQANCHMSA-N 1 2 457.909 1.825 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)C2)C1 ZINC001164720431 720264888 /nfs/dbraw/zinc/26/48/88/720264888.db2.gz VVLLMCIAROZLDL-LJQANCHMSA-N 1 2 457.909 1.825 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C#C[Si](C)(C)C)c3C(=O)OC)C2)C1 ZINC001164721205 720267437 /nfs/dbraw/zinc/26/74/37/720267437.db2.gz HSASSZVZCFFEEZ-DEOSSOPVSA-N 1 2 472.662 1.762 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C#C[Si](C)(C)C)c3C(=O)OC)C2)C1 ZINC001164721205 720267456 /nfs/dbraw/zinc/26/74/56/720267456.db2.gz HSASSZVZCFFEEZ-DEOSSOPVSA-N 1 2 472.662 1.762 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3[C@H](C#N)C(=O)OC)C2)C1 ZINC001164723736 720288111 /nfs/dbraw/zinc/28/81/11/720288111.db2.gz XQNPDXXBZQPOQA-XDHUDOTRSA-N 1 2 466.542 1.075 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3[C@H](C#N)C(=O)OC)C2)C1 ZINC001164723736 720288115 /nfs/dbraw/zinc/28/81/15/720288115.db2.gz XQNPDXXBZQPOQA-XDHUDOTRSA-N 1 2 466.542 1.075 20 30 JDEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164825724 720441955 /nfs/dbraw/zinc/44/19/55/720441955.db2.gz UPAPUIIAEIBPLO-KRWDZBQOSA-N 1 2 488.976 1.969 20 30 JDEDLO CCOC(=O)c1cc(C)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C#N ZINC001164821938 720442009 /nfs/dbraw/zinc/44/20/09/720442009.db2.gz AWONILOLTNCYPH-SFHVURJKSA-N 1 2 468.558 1.625 20 30 JDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)C2 ZINC001164832623 720476137 /nfs/dbraw/zinc/47/61/37/720476137.db2.gz KJAWIPFCXTWVMS-MOPGFXCFSA-N 1 2 497.600 1.612 20 30 JDEDLO CCOC(=O)c1cc(C)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C#N ZINC001164912878 721776367 /nfs/dbraw/zinc/77/63/67/721776367.db2.gz RDSLYKMYTPIFSQ-DEOSSOPVSA-N 1 2 451.527 1.941 20 30 JDEDLO CCOC(=O)c1cc(C)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C#N ZINC001164912878 721776373 /nfs/dbraw/zinc/77/63/73/721776373.db2.gz RDSLYKMYTPIFSQ-DEOSSOPVSA-N 1 2 451.527 1.941 20 30 JDEDLO CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001501190970 1069444504 /nfs/dbraw/zinc/44/45/04/1069444504.db2.gz TZFMVFWCYWBNAC-LJQANCHMSA-N 1 2 478.601 1.476 20 30 JDEDLO CN(CCC#N)S(=O)(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001475665013 1069519557 /nfs/dbraw/zinc/51/95/57/1069519557.db2.gz JUPWLHGDVSSHBW-UHFFFAOYSA-N 1 2 451.593 1.919 20 30 JDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 ZINC001501779928 1069663877 /nfs/dbraw/zinc/66/38/77/1069663877.db2.gz CSBGTWASTHNPPU-UHFFFAOYSA-N 1 2 476.589 1.489 20 30 JDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001501780591 1069666791 /nfs/dbraw/zinc/66/67/91/1069666791.db2.gz NRNTYBZPMHYHRN-GOTSBHOMSA-N 1 2 495.628 1.859 20 30 JDEDLO CCN(CC)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c[nH+]1 ZINC001501840999 1069746154 /nfs/dbraw/zinc/74/61/54/1069746154.db2.gz VIJGSFVDPVMQCW-IEBWSBKVSA-N 1 2 490.634 1.639 20 30 JDEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc2)C1 ZINC001478352274 1069975723 /nfs/dbraw/zinc/97/57/23/1069975723.db2.gz XXGKMCTZEGHRBY-TXJVSEOTSA-N 1 2 452.964 1.291 20 30 JDEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc2)C1 ZINC001478352274 1069975755 /nfs/dbraw/zinc/97/57/55/1069975755.db2.gz XXGKMCTZEGHRBY-TXJVSEOTSA-N 1 2 452.964 1.291 20 30 JDEDLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)[nH+]c12 ZINC001478410975 1069990485 /nfs/dbraw/zinc/99/04/85/1069990485.db2.gz VYCVPSIJKXBATD-UGSOOPFHSA-N 1 2 466.361 1.528 20 30 JDEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502315245 1070099184 /nfs/dbraw/zinc/09/91/84/1070099184.db2.gz JTXLBABDJCAEAN-IBGZPJMESA-N 1 2 480.617 1.456 20 30 JDEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502315595 1070102498 /nfs/dbraw/zinc/10/24/98/1070102498.db2.gz QZBAYWOJKZGWJT-FQEVSTJZSA-N 1 2 496.616 1.643 20 30 JDEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502315804 1070106748 /nfs/dbraw/zinc/10/67/48/1070106748.db2.gz VEBILZPGILOCER-HXUWFJFHSA-N 1 2 494.644 1.860 20 30 JDEDLO CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001503366447 1071592671 /nfs/dbraw/zinc/59/26/71/1071592671.db2.gz AGWWLJZMNAOCCF-UHFFFAOYSA-N 1 2 478.601 1.430 20 30 JDEDLO C[NH+](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 ZINC001503383572 1071639664 /nfs/dbraw/zinc/63/96/64/1071639664.db2.gz SWBGVAUZCIEWBQ-QMTMVMCOSA-N 1 2 452.581 1.987 20 30 JDEDLO COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[NH+]2CCOCC2)CC1=O ZINC001504905154 1071846073 /nfs/dbraw/zinc/84/60/73/1071846073.db2.gz QZHNWRNNAHHANG-FQEVSTJZSA-N 1 2 467.574 1.080 20 30 JDEDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001503620039 1071909918 /nfs/dbraw/zinc/90/99/18/1071909918.db2.gz NCQLNLOSCONMQM-HXUWFJFHSA-N 1 2 473.603 1.009 20 30 JDEDLO COCC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001504926944 1071921244 /nfs/dbraw/zinc/92/12/44/1071921244.db2.gz UOTMOESNFFFEDL-XIFFEERXSA-N 1 2 472.615 1.798 20 30 JDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC001464847886 1067675387 /nfs/dbraw/zinc/67/53/87/1067675387.db2.gz MBJWPGKZRSMQDL-RTBURBONSA-N 1 2 455.559 1.974 20 30 JDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC001464847886 1067675392 /nfs/dbraw/zinc/67/53/92/1067675392.db2.gz MBJWPGKZRSMQDL-RTBURBONSA-N 1 2 455.559 1.974 20 30 JDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC001464847882 1067675401 /nfs/dbraw/zinc/67/54/01/1067675401.db2.gz MBJWPGKZRSMQDL-OALUTQOASA-N 1 2 455.559 1.974 20 30 JDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC001464847882 1067675406 /nfs/dbraw/zinc/67/54/06/1067675406.db2.gz MBJWPGKZRSMQDL-OALUTQOASA-N 1 2 455.559 1.974 20 30 JDEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 ZINC001466738340 1067911674 /nfs/dbraw/zinc/91/16/74/1067911674.db2.gz XVAJFGAVPREJSN-WBVHZDCISA-N 1 2 451.568 1.851 20 30 JDEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 ZINC001466738337 1067911755 /nfs/dbraw/zinc/91/17/55/1067911755.db2.gz XVAJFGAVPREJSN-DOTOQJQBSA-N 1 2 451.568 1.851 20 30 JDEDLO Cc1nn(C)c(N2CCN(C(=O)N[C@H](Cc3ccccc3)C[NH+]3CCOCC3)CC2)c1C#N ZINC001468935825 1068396623 /nfs/dbraw/zinc/39/66/23/1068396623.db2.gz YXZCKEGIVOSRBF-OAQYLSRUSA-N 1 2 451.575 1.375 20 30 JDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[NH+](CCc4cnccn4)CC3)C2)C1 ZINC001471408244 1068862926 /nfs/dbraw/zinc/86/29/26/1068862926.db2.gz NUKKAUSEULSOTI-IQJRZOLZSA-N 1 2 454.575 1.950 20 30 JDEDLO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001499329147 1068984786 /nfs/dbraw/zinc/98/47/86/1068984786.db2.gz NXLBRNGORXBIIW-PXNSSMCTSA-N 1 2 453.547 1.164 20 30 JDEDLO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001499329148 1068984912 /nfs/dbraw/zinc/98/49/12/1068984912.db2.gz NXLBRNGORXBIIW-XLIONFOSSA-N 1 2 453.547 1.164 20 30 JDEDLO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001472404264 1069006463 /nfs/dbraw/zinc/00/64/63/1069006463.db2.gz UMRVJJYNAJUHPZ-UHFFFAOYSA-N 1 2 457.943 1.982 20 30 JDEDLO COc1cccc(OCC[NH+]2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c1 ZINC001472535462 1069026986 /nfs/dbraw/zinc/02/69/86/1069026986.db2.gz WHUAXQLUGYFVTM-UHFFFAOYSA-N 1 2 458.540 1.068 20 30 JDEDLO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC001499680433 1069040120 /nfs/dbraw/zinc/04/01/20/1069040120.db2.gz GHRGGTDFVMLROK-HXUWFJFHSA-N 1 2 460.604 1.798 20 30 JDEDLO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC[N@H+]1CCOC ZINC001499680433 1069040140 /nfs/dbraw/zinc/04/01/40/1069040140.db2.gz GHRGGTDFVMLROK-HXUWFJFHSA-N 1 2 460.604 1.798 20 30 JDEDLO C=CC[N@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001473233318 1069101966 /nfs/dbraw/zinc/10/19/66/1069101966.db2.gz JLKJJDIRLZDXQV-SFHVURJKSA-N 1 2 455.602 1.475 20 30 JDEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001473233318 1069101972 /nfs/dbraw/zinc/10/19/72/1069101972.db2.gz JLKJJDIRLZDXQV-SFHVURJKSA-N 1 2 455.602 1.475 20 30 JDEDLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)CCC1 ZINC001473236418 1069102793 /nfs/dbraw/zinc/10/27/93/1069102793.db2.gz NELZQPPYRPCQPV-KRWDZBQOSA-N 1 2 451.593 1.547 20 30 JDEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001474792548 1069257229 /nfs/dbraw/zinc/25/72/29/1069257229.db2.gz YKAPSEKVFLOFDN-UHFFFAOYSA-N 1 2 454.478 1.858 20 30 JDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507545719 1072606965 /nfs/dbraw/zinc/60/69/65/1072606965.db2.gz AEZJMFAUBFFELT-YSIASYRMSA-N 1 2 473.622 1.671 20 30 JDEDLO C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2([NH+]3CCOCC3)CC2)c1 ZINC001507551777 1072614053 /nfs/dbraw/zinc/61/40/53/1072614053.db2.gz HGAGYSQTLZXYOC-UHFFFAOYSA-N 1 2 452.559 1.736 20 30 JDEDLO C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001507615813 1072639426 /nfs/dbraw/zinc/63/94/26/1072639426.db2.gz BNBFHZBOQKZQEV-HXUWFJFHSA-N 1 2 456.616 1.462 20 30 JDEDLO C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCNc1cccc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001507622086 1072645658 /nfs/dbraw/zinc/64/56/58/1072645658.db2.gz AZONTMBVGONHOK-SFHVURJKSA-N 1 2 471.587 1.038 20 30 JDEDLO C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCNc1cccc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622398 1072647114 /nfs/dbraw/zinc/64/71/14/1072647114.db2.gz IJKBUXVPKGQVCN-GOSISDBHSA-N 1 2 494.581 1.449 20 30 JDEDLO C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001507633009 1072699823 /nfs/dbraw/zinc/69/98/23/1072699823.db2.gz RCSVRSWIPPXIDQ-NJYVYQBISA-N 1 2 479.647 1.156 20 30 JDEDLO C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001507633009 1072699836 /nfs/dbraw/zinc/69/98/36/1072699836.db2.gz RCSVRSWIPPXIDQ-NJYVYQBISA-N 1 2 479.647 1.156 20 30 JDEDLO C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1cccc(C)[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001507637344 1072716917 /nfs/dbraw/zinc/71/69/17/1072716917.db2.gz AOCHLKVRIGRKOS-FQEVSTJZSA-N 1 2 470.599 1.363 20 30 JDEDLO C#CCN(c1nnc(COc2ccccc2F)n1CC[N@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507640423 1072730870 /nfs/dbraw/zinc/73/08/70/1072730870.db2.gz SCNWTEOWOVCAGU-IBGZPJMESA-N 1 2 473.574 1.885 20 30 JDEDLO C#CCN(c1nnc(COc2ccccc2F)n1CC[N@@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507640423 1072730881 /nfs/dbraw/zinc/73/08/81/1072730881.db2.gz SCNWTEOWOVCAGU-IBGZPJMESA-N 1 2 473.574 1.885 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507660957 1072750709 /nfs/dbraw/zinc/75/07/09/1072750709.db2.gz IMGQROXDBNKNKR-NLFFAJNJSA-N 1 2 478.601 1.894 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507660957 1072750713 /nfs/dbraw/zinc/75/07/13/1072750713.db2.gz IMGQROXDBNKNKR-NLFFAJNJSA-N 1 2 478.601 1.894 20 30 JDEDLO C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507678594 1072758940 /nfs/dbraw/zinc/75/89/40/1072758940.db2.gz KRYPXJCYAQDQCS-WZONZLPQSA-N 1 2 454.579 1.890 20 30 JDEDLO C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507678594 1072758953 /nfs/dbraw/zinc/75/89/53/1072758953.db2.gz KRYPXJCYAQDQCS-WZONZLPQSA-N 1 2 454.579 1.890 20 30 JDEDLO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001507690830 1072762615 /nfs/dbraw/zinc/76/26/15/1072762615.db2.gz XTPFRMRPPHNBKK-RTWAWAEBSA-N 1 2 470.643 1.850 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 ZINC001507715633 1072773417 /nfs/dbraw/zinc/77/34/17/1072773417.db2.gz FMMBFJZCNDMFPV-IBGZPJMESA-N 1 2 458.950 1.032 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001507716130 1072774150 /nfs/dbraw/zinc/77/41/50/1072774150.db2.gz MYSGIMNRRUTCIY-UHFFFAOYSA-N 1 2 482.589 1.984 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2COc3ccccc3O2)CC1 ZINC001507715935 1072774417 /nfs/dbraw/zinc/77/44/17/1072774417.db2.gz KFSXAJHNWWFXMM-LJQANCHMSA-N 1 2 452.559 1.792 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC(=O)N(C)C)CC1 ZINC001507716983 1072775712 /nfs/dbraw/zinc/77/57/12/1072775712.db2.gz XNHOEWKIRVDKIM-UHFFFAOYSA-N 1 2 471.993 1.485 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCO[C@@H]2CCOC2)CC1 ZINC001507717069 1072775768 /nfs/dbraw/zinc/77/57/68/1072775768.db2.gz YDKCIEHIJXFYJF-OAQYLSRUSA-N 1 2 487.004 1.812 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)c2ccco2)CC1 ZINC001507717150 1072776797 /nfs/dbraw/zinc/77/67/97/1072776797.db2.gz ZBBMMRLWWCGXNZ-UHFFFAOYSA-N 1 2 475.553 1.925 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CSCCS2)CC1 ZINC001507717760 1072777497 /nfs/dbraw/zinc/77/74/97/1072777497.db2.gz ILCNQGQUUKCKAQ-SFHVURJKSA-N 1 2 477.681 1.952 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001507717988 1072778546 /nfs/dbraw/zinc/77/85/46/1072778546.db2.gz KFEVKEPYUQLCEB-APWZRJJASA-N 1 2 477.407 1.853 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001507718255 1072779517 /nfs/dbraw/zinc/77/95/17/1072779517.db2.gz MZKHJHYLWRJGGX-UHFFFAOYSA-N 1 2 493.593 1.506 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2occc2C)CC1 ZINC001507718591 1072780498 /nfs/dbraw/zinc/78/04/98/1072780498.db2.gz QUFXQKBSFKRIRG-UHFFFAOYSA-N 1 2 468.583 1.900 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001507719002 1072780897 /nfs/dbraw/zinc/78/08/97/1072780897.db2.gz JQHGUWDZXBUSER-OAQYLSRUSA-N 1 2 458.632 1.903 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnnn2C)CC1 ZINC001507718895 1072780959 /nfs/dbraw/zinc/78/09/59/1072780959.db2.gz VAGGMLJVFNUTLQ-UHFFFAOYSA-N 1 2 459.327 1.779 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC2(C)C)CC1 ZINC001507718928 1072781560 /nfs/dbraw/zinc/78/15/60/1072781560.db2.gz WUVPHXSAZSPNFP-IBGZPJMESA-N 1 2 456.616 1.997 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001507720070 1072782974 /nfs/dbraw/zinc/78/29/74/1072782974.db2.gz CAUFAELLECOYAT-MRXNPFEDSA-N 1 2 479.676 1.640 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001507720235 1072783011 /nfs/dbraw/zinc/78/30/11/1072783011.db2.gz SYIYPSHCZWDSCU-ROUUACIJSA-N 1 2 458.529 1.642 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001507720234 1072783881 /nfs/dbraw/zinc/78/38/81/1072783881.db2.gz SYIYPSHCZWDSCU-QZTJIDSGSA-N 1 2 458.529 1.642 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001507721157 1072784596 /nfs/dbraw/zinc/78/45/96/1072784596.db2.gz ZHNBOARAFWZYGY-VWLOTQADSA-N 1 2 466.586 1.436 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001507720824 1072784705 /nfs/dbraw/zinc/78/47/05/1072784705.db2.gz XBXAYTIRLXJFCC-RBUKOAKNSA-N 1 2 490.605 1.736 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)CC1 ZINC001507721078 1072784879 /nfs/dbraw/zinc/78/48/79/1072784879.db2.gz LNFTWRCLFKNKSQ-UHFFFAOYSA-N 1 2 450.547 1.673 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C3OCCO3)c2)CC1 ZINC001507721151 1072784996 /nfs/dbraw/zinc/78/49/96/1072784996.db2.gz ZGZSCQVGJDBZKT-IBGZPJMESA-N 1 2 455.559 1.851 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001507721701 1072786540 /nfs/dbraw/zinc/78/65/40/1072786540.db2.gz LHEIYSYKHOVZAL-LJQANCHMSA-N 1 2 495.609 1.879 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cnnn2)CC1 ZINC001507721794 1072786879 /nfs/dbraw/zinc/78/68/79/1072786879.db2.gz YOQUWBHOPAWPMJ-UHFFFAOYSA-N 1 2 456.352 1.540 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001507721992 1072787343 /nfs/dbraw/zinc/78/73/43/1072787343.db2.gz WKPAGOKPUWASDZ-LJQANCHMSA-N 1 2 452.559 1.204 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)CCC)cc2)CC1 ZINC001507722212 1072787368 /nfs/dbraw/zinc/78/73/68/1072787368.db2.gz RGXGRVLKYFWUDN-SFHVURJKSA-N 1 2 487.630 1.430 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001507722208 1072787475 /nfs/dbraw/zinc/78/74/75/1072787475.db2.gz REYXCDMSXJCUGJ-SFHVURJKSA-N 1 2 474.606 1.806 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN(C)c2ccccc2)CC1 ZINC001507722221 1072787620 /nfs/dbraw/zinc/78/76/20/1072787620.db2.gz RJQKMCBCOVBYTE-LJQANCHMSA-N 1 2 459.620 1.170 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001507721990 1072787814 /nfs/dbraw/zinc/78/78/14/1072787814.db2.gz WKPAGOKPUWASDZ-IBGZPJMESA-N 1 2 452.559 1.204 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2cccc(F)c2)CC1 ZINC001507722332 1072788282 /nfs/dbraw/zinc/78/82/82/1072788282.db2.gz UUMZZLCQLXZYSG-DLBZAZTESA-N 1 2 464.567 1.250 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc32)CC1 ZINC001507722277 1072788310 /nfs/dbraw/zinc/78/83/10/1072788310.db2.gz SMMLEWKLYGSMCY-MOPGFXCFSA-N 1 2 471.631 1.095 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001507722323 1072788474 /nfs/dbraw/zinc/78/84/74/1072788474.db2.gz URHWCBJRGODBHW-ROUUACIJSA-N 1 2 495.650 1.043 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2cccc(F)c2)CC1 ZINC001507722334 1072788564 /nfs/dbraw/zinc/78/85/64/1072788564.db2.gz UUMZZLCQLXZYSG-IRXDYDNUSA-N 1 2 464.567 1.250 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCC(=O)N(C)C)CC1 ZINC001507722863 1072790351 /nfs/dbraw/zinc/79/03/51/1072790351.db2.gz LXKLMTHGEDPJKL-UHFFFAOYSA-N 1 2 454.575 1.976 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOC(F)F)CC1 ZINC001507723541 1072790787 /nfs/dbraw/zinc/79/07/87/1072790787.db2.gz LZGBAXOHXORSFZ-UHFFFAOYSA-N 1 2 467.546 1.623 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc43)n2C[C@@H](F)COC)CC1 ZINC001507723262 1072790858 /nfs/dbraw/zinc/79/08/58/1072790858.db2.gz BEXYWIXLHSVIRW-GOSISDBHSA-N 1 2 467.549 1.805 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001507723584 1072791944 /nfs/dbraw/zinc/79/19/44/1072791944.db2.gz NPXKSKZYGXDLJF-UHFFFAOYSA-N 1 2 457.535 1.286 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001507724839 1072792540 /nfs/dbraw/zinc/79/25/40/1072792540.db2.gz XTCUWODTMFYQSX-FQEVSTJZSA-N 1 2 471.005 1.772 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC001507724497 1072792696 /nfs/dbraw/zinc/79/26/96/1072792696.db2.gz QXGFZPUXZXJWQU-UHFFFAOYSA-N 1 2 473.581 1.534 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507724568 1072793042 /nfs/dbraw/zinc/79/30/42/1072793042.db2.gz GZQDMXURHMMODH-IBGZPJMESA-N 1 2 463.508 1.749 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001507724914 1072793145 /nfs/dbraw/zinc/79/31/45/1072793145.db2.gz YAVBKXSJPKQBNQ-UHFFFAOYSA-N 1 2 464.574 1.797 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(OCCOC)CCOCC2)CC1 ZINC001507724164 1072793226 /nfs/dbraw/zinc/79/32/26/1072793226.db2.gz JAJBOPSNGKZNCJ-UHFFFAOYSA-N 1 2 471.577 1.975 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 ZINC001507725116 1072794012 /nfs/dbraw/zinc/79/40/12/1072794012.db2.gz PAWVMOLHUHNMNM-UHFFFAOYSA-N 1 2 451.556 1.052 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001507727042 1072795148 /nfs/dbraw/zinc/79/51/48/1072795148.db2.gz GDGKVOLERHYOMO-UHFFFAOYSA-N 1 2 456.616 1.656 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001507728406 1072797418 /nfs/dbraw/zinc/79/74/18/1072797418.db2.gz SUBRLYPGZUAIDI-UHFFFAOYSA-N 1 2 450.587 1.491 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001507728304 1072797606 /nfs/dbraw/zinc/79/76/06/1072797606.db2.gz XIKMEQQAVGJYSF-GOSISDBHSA-N 1 2 459.595 1.317 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCC2)CC1 ZINC001507729058 1072798482 /nfs/dbraw/zinc/79/84/82/1072798482.db2.gz DEKKCHRZGLMSFP-IBGZPJMESA-N 1 2 474.606 1.647 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nccs2)CC1 ZINC001507730261 1072799312 /nfs/dbraw/zinc/79/93/12/1072799312.db2.gz PWKOZGDPSFHFIL-KRWDZBQOSA-N 1 2 473.603 1.847 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CCC2)CC1 ZINC001507730554 1072799737 /nfs/dbraw/zinc/79/97/37/1072799737.db2.gz SXGLYECKOGIOFF-LJQANCHMSA-N 1 2 464.636 1.337 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC001507731358 1072800051 /nfs/dbraw/zinc/80/00/51/1072800051.db2.gz GPRIHWGUQPXHBA-QFIPXVFZSA-N 1 2 466.586 1.790 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cccc(OC)c2)CC1 ZINC001507731172 1072800145 /nfs/dbraw/zinc/80/01/45/1072800145.db2.gz CGWATWVGISVBDR-NRFANRHFSA-N 1 2 452.559 1.714 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001507732416 1072801563 /nfs/dbraw/zinc/80/15/63/1072801563.db2.gz GZSDLKITHBSBGR-FVJVTNMWSA-N 1 2 474.606 1.344 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001507732545 1072801930 /nfs/dbraw/zinc/80/19/30/1072801930.db2.gz OUZHHGDWWCUKCC-UHFFFAOYSA-N 1 2 458.950 1.125 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001507733466 1072802368 /nfs/dbraw/zinc/80/23/68/1072802368.db2.gz ZMQDBMQKLVJFLD-WMZOPIPTSA-N 1 2 459.620 1.955 20 30 JDEDLO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001507733258 1072802380 /nfs/dbraw/zinc/80/23/80/1072802380.db2.gz RFLKOXHQMQTFCM-NJYVYQBISA-N 1 2 487.649 1.525 20 30 JDEDLO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001507733259 1072802448 /nfs/dbraw/zinc/80/24/48/1072802448.db2.gz RFLKOXHQMQTFCM-PCCBWWKXSA-N 1 2 487.649 1.525 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001507733195 1072802455 /nfs/dbraw/zinc/80/24/55/1072802455.db2.gz ZNMBUZACTCRAJC-UHFFFAOYSA-N 1 2 455.559 1.553 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001507743008 1072820183 /nfs/dbraw/zinc/82/01/83/1072820183.db2.gz VKDKIOLJJWPWSK-HXUWFJFHSA-N 1 2 480.613 1.564 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001507743008 1072820187 /nfs/dbraw/zinc/82/01/87/1072820187.db2.gz VKDKIOLJJWPWSK-HXUWFJFHSA-N 1 2 480.613 1.564 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001507743007 1072820209 /nfs/dbraw/zinc/82/02/09/1072820209.db2.gz VKDKIOLJJWPWSK-FQEVSTJZSA-N 1 2 480.613 1.564 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001507743007 1072820213 /nfs/dbraw/zinc/82/02/13/1072820213.db2.gz VKDKIOLJJWPWSK-FQEVSTJZSA-N 1 2 480.613 1.564 20 30 JDEDLO C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001507744290 1072820771 /nfs/dbraw/zinc/82/07/71/1072820771.db2.gz QQNIEUQKZMANEW-LJQANCHMSA-N 1 2 468.631 1.508 20 30 JDEDLO C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001507752046 1072824988 /nfs/dbraw/zinc/82/49/88/1072824988.db2.gz UNAMVCCPAKKRDX-NRFANRHFSA-N 1 2 473.668 1.911 20 30 JDEDLO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001507766378 1072828563 /nfs/dbraw/zinc/82/85/63/1072828563.db2.gz ZOQPVOOGLSMFLY-IDAHTXHNSA-N 1 2 494.662 1.150 20 30 JDEDLO C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001507774823 1072830356 /nfs/dbraw/zinc/83/03/56/1072830356.db2.gz OFSQTMHWMRKAHL-MRXNPFEDSA-N 1 2 454.417 1.541 20 30 JDEDLO C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001507781640 1072832106 /nfs/dbraw/zinc/83/21/06/1072832106.db2.gz FFHYHYIJRSBFSK-UHFFFAOYSA-N 1 2 453.341 1.683 20 30 JDEDLO C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001507836170 1072846268 /nfs/dbraw/zinc/84/62/68/1072846268.db2.gz ZHOUPBWPPRJRSA-IBGZPJMESA-N 1 2 461.611 1.142 20 30 JDEDLO C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC001507881597 1072853238 /nfs/dbraw/zinc/85/32/38/1072853238.db2.gz OXISMUWYVVSBFS-NRFANRHFSA-N 1 2 487.674 1.863 20 30 JDEDLO C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507954351 1072859465 /nfs/dbraw/zinc/85/94/65/1072859465.db2.gz LQBJVWBZOQLUQN-NRSPTQNISA-N 1 2 478.663 1.525 20 30 JDEDLO C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507954351 1072859469 /nfs/dbraw/zinc/85/94/69/1072859469.db2.gz LQBJVWBZOQLUQN-NRSPTQNISA-N 1 2 478.663 1.525 20 30 JDEDLO C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001508092998 1072888629 /nfs/dbraw/zinc/88/86/29/1072888629.db2.gz SYDZWVCFVNSAJI-IBGZPJMESA-N 1 2 490.605 1.334 20 30 JDEDLO C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001508092998 1072888631 /nfs/dbraw/zinc/88/86/31/1072888631.db2.gz SYDZWVCFVNSAJI-IBGZPJMESA-N 1 2 490.605 1.334 20 30 JDEDLO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508093904 1072889524 /nfs/dbraw/zinc/88/95/24/1072889524.db2.gz KYXWPJZRQXKEQC-LJQANCHMSA-N 1 2 499.591 1.431 20 30 JDEDLO C=CCNC(=O)Cn1c(N2CC[NH+](Cc3cnc(C)s3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001508097711 1072892860 /nfs/dbraw/zinc/89/28/60/1072892860.db2.gz KFPZGHRUIFWPQL-HSZRJFAPSA-N 1 2 489.646 1.708 20 30 JDEDLO C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001508118039 1072897966 /nfs/dbraw/zinc/89/79/66/1072897966.db2.gz VZWCBMBJJFZMDK-AEFFLSMTSA-N 1 2 459.576 1.560 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001508138904 1072912427 /nfs/dbraw/zinc/91/24/27/1072912427.db2.gz AJFVUFVETZNSMC-UHFFFAOYSA-N 1 2 469.615 1.910 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001508143510 1072919341 /nfs/dbraw/zinc/91/93/41/1072919341.db2.gz GZPIVGJMAPIAJL-UHFFFAOYSA-N 1 2 471.631 1.895 20 30 JDEDLO C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001508152209 1072930612 /nfs/dbraw/zinc/93/06/12/1072930612.db2.gz JRPAEEYINPAXAJ-OAHLLOKOSA-N 1 2 465.649 1.831 20 30 JDEDLO C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001508152208 1072930751 /nfs/dbraw/zinc/93/07/51/1072930751.db2.gz JRPAEEYINPAXAJ-HNNXBMFYSA-N 1 2 465.649 1.831 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001508274604 1073043580 /nfs/dbraw/zinc/04/35/80/1073043580.db2.gz QORPADYPQBTEOU-QFIPXVFZSA-N 1 2 481.601 1.756 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cscn2)CC1 ZINC001508274636 1073043611 /nfs/dbraw/zinc/04/36/11/1073043611.db2.gz RQPNHKROLQMWGU-UHFFFAOYSA-N 1 2 480.598 1.986 20 30 JDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(C#C[Si](C)(C)C)c3C(=O)OC)CC2)C1=O ZINC001164640213 719277146 /nfs/dbraw/zinc/27/71/46/719277146.db2.gz OZMBLEWUHOLNNU-UHFFFAOYSA-N 1 2 472.662 1.857 20 30 JDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(C#C[Si](C)(C)C)c3C(=O)OC)CC2)C1=O ZINC001164640213 719277149 /nfs/dbraw/zinc/27/71/49/719277149.db2.gz OZMBLEWUHOLNNU-UHFFFAOYSA-N 1 2 472.662 1.857 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)C2)C1 ZINC001164720430 720265933 /nfs/dbraw/zinc/26/59/33/720265933.db2.gz VVLLMCIAROZLDL-IBGZPJMESA-N 1 2 457.909 1.825 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)C2)C1 ZINC001164720430 720265951 /nfs/dbraw/zinc/26/59/51/720265951.db2.gz VVLLMCIAROZLDL-IBGZPJMESA-N 1 2 457.909 1.825 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722783 720300050 /nfs/dbraw/zinc/30/00/50/720300050.db2.gz ROQXJJDBOOPKBY-HXOBKFHXSA-N 1 2 458.563 1.090 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722783 720300056 /nfs/dbraw/zinc/30/00/56/720300056.db2.gz ROQXJJDBOOPKBY-HXOBKFHXSA-N 1 2 458.563 1.090 20 30 JDEDLO CSc1nc(Cl)c(C#N)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826243 720428124 /nfs/dbraw/zinc/42/81/24/720428124.db2.gz OXXJWRZHYMXNBZ-AWEZNQCLSA-N 1 2 463.995 1.910 20 30 JDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C3(C#N)CCOCC3)cn1)C2 ZINC001164829646 720468211 /nfs/dbraw/zinc/46/82/11/720468211.db2.gz GLVOGXUJVOWOHO-FQEVSTJZSA-N 1 2 466.586 1.839 20 30 JDEDLO CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001501190969 1069444539 /nfs/dbraw/zinc/44/45/39/1069444539.db2.gz TZFMVFWCYWBNAC-IBGZPJMESA-N 1 2 478.601 1.476 20 30 JDEDLO CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001501421793 1069524806 /nfs/dbraw/zinc/52/48/06/1069524806.db2.gz WPUUFUCXCFSLMV-OAQYLSRUSA-N 1 2 499.641 1.242 20 30 JDEDLO CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001501421793 1069524813 /nfs/dbraw/zinc/52/48/13/1069524813.db2.gz WPUUFUCXCFSLMV-OAQYLSRUSA-N 1 2 499.641 1.242 20 30 JDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001501780592 1069666689 /nfs/dbraw/zinc/66/66/89/1069666689.db2.gz NRNTYBZPMHYHRN-PKTZIBPZSA-N 1 2 495.628 1.859 20 30 JDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 ZINC001501781046 1069666722 /nfs/dbraw/zinc/66/67/22/1069666722.db2.gz UQYLNWGBTPLGPQ-RUZDIDTESA-N 1 2 481.601 1.613 20 30 JDEDLO C#CCC1(O)CCN(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)CC1 ZINC001477756535 1069854468 /nfs/dbraw/zinc/85/44/68/1069854468.db2.gz QAIPHCQUDZFKSJ-UHFFFAOYSA-N 1 2 456.587 1.332 20 30 JDEDLO CCN1CC[NH+]([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502314469 1070093761 /nfs/dbraw/zinc/09/37/61/1070093761.db2.gz WCRBGKCAOYIOHH-MSOLQXFVSA-N 1 2 459.545 1.902 20 30 JDEDLO CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001502372359 1070319131 /nfs/dbraw/zinc/31/91/31/1070319131.db2.gz KGSPPFLIFKWTKB-GOSISDBHSA-N 1 2 492.628 1.768 20 30 JDEDLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC001494604151 1070656875 /nfs/dbraw/zinc/65/68/75/1070656875.db2.gz XIGMHLNADCXBNK-SFHVURJKSA-N 1 2 450.547 1.819 20 30 JDEDLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC001494604151 1070656894 /nfs/dbraw/zinc/65/68/94/1070656894.db2.gz XIGMHLNADCXBNK-SFHVURJKSA-N 1 2 450.547 1.819 20 30 JDEDLO CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001494779624 1070741796 /nfs/dbraw/zinc/74/17/96/1070741796.db2.gz LIMFSCBTMWYOPB-DEOSSOPVSA-N 1 2 451.575 1.722 20 30 JDEDLO COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001504652614 1071513085 /nfs/dbraw/zinc/51/30/85/1071513085.db2.gz WHXQICVKSUCRQX-UHFFFAOYSA-N 1 2 479.585 1.676 20 30 JDEDLO COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504873878 1071806294 /nfs/dbraw/zinc/80/62/94/1071806294.db2.gz MHDMKKWTRDAPJM-UHFFFAOYSA-N 1 2 451.575 1.844 20 30 JDEDLO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001503621849 1071918695 /nfs/dbraw/zinc/91/86/95/1071918695.db2.gz KAXGKQFVLYTMET-UHFFFAOYSA-N 1 2 480.598 1.846 20 30 JDEDLO COCCO[C@@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001504969651 1072018521 /nfs/dbraw/zinc/01/85/21/1072018521.db2.gz SPSFEDQOJLKWNC-AVRDEDQJSA-N 1 2 499.616 1.894 20 30 JDEDLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503704907 1072047516 /nfs/dbraw/zinc/04/75/16/1072047516.db2.gz HTYDZTJHXGJELC-SFHVURJKSA-N 1 2 474.569 1.915 20 30 JDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC001464847870 1067675307 /nfs/dbraw/zinc/67/53/07/1067675307.db2.gz LZQHXZAMGUPHTQ-HNNXBMFYSA-N 1 2 451.354 1.630 20 30 JDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC001464847870 1067675312 /nfs/dbraw/zinc/67/53/12/1067675312.db2.gz LZQHXZAMGUPHTQ-HNNXBMFYSA-N 1 2 451.354 1.630 20 30 JDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC001464847875 1067675428 /nfs/dbraw/zinc/67/54/28/1067675428.db2.gz LZQHXZAMGUPHTQ-OAHLLOKOSA-N 1 2 451.354 1.630 20 30 JDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC001464847875 1067675434 /nfs/dbraw/zinc/67/54/34/1067675434.db2.gz LZQHXZAMGUPHTQ-OAHLLOKOSA-N 1 2 451.354 1.630 20 30 JDEDLO CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001467678023 1068050780 /nfs/dbraw/zinc/05/07/80/1068050780.db2.gz KIFSBRYAZSLMEV-GOSISDBHSA-N 1 2 450.605 1.709 20 30 JDEDLO CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001467678023 1068050793 /nfs/dbraw/zinc/05/07/93/1068050793.db2.gz KIFSBRYAZSLMEV-GOSISDBHSA-N 1 2 450.605 1.709 20 30 JDEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001467701343 1068053100 /nfs/dbraw/zinc/05/31/00/1068053100.db2.gz ZDGMYYJWPXBEPI-TZIWHRDSSA-N 1 2 459.978 1.230 20 30 JDEDLO C=CCOc1ccc(CC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467901642 1068088972 /nfs/dbraw/zinc/08/89/72/1068088972.db2.gz STXGYGKMFUHJAV-HXUWFJFHSA-N 1 2 451.571 1.757 20 30 JDEDLO C=CCOc1ccc(CC(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC001467901641 1068089236 /nfs/dbraw/zinc/08/92/36/1068089236.db2.gz STXGYGKMFUHJAV-FQEVSTJZSA-N 1 2 451.571 1.757 20 30 JDEDLO C#CC[N@H+](C)CCCNC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1 ZINC001468544792 1068309957 /nfs/dbraw/zinc/30/99/57/1068309957.db2.gz DDUNHCHIVVDRAJ-IBGZPJMESA-N 1 2 455.584 1.794 20 30 JDEDLO C#CC[N@@H+](C)CCCNC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1 ZINC001468544792 1068309989 /nfs/dbraw/zinc/30/99/89/1068309989.db2.gz DDUNHCHIVVDRAJ-IBGZPJMESA-N 1 2 455.584 1.794 20 30 JDEDLO Cc1nn(C)c(N2CCN(C(=O)N[C@@H](Cc3ccccc3)C[NH+]3CCOCC3)CC2)c1C#N ZINC001468935824 1068396791 /nfs/dbraw/zinc/39/67/91/1068396791.db2.gz YXZCKEGIVOSRBF-NRFANRHFSA-N 1 2 451.575 1.375 20 30 JDEDLO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC[N@@H+]1CCOC ZINC001499697923 1069045414 /nfs/dbraw/zinc/04/54/14/1069045414.db2.gz WRHDORIMGDGGTG-HXUWFJFHSA-N 1 2 472.615 1.941 20 30 JDEDLO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC[N@H+]1CCOC ZINC001499697923 1069045424 /nfs/dbraw/zinc/04/54/24/1069045424.db2.gz WRHDORIMGDGGTG-HXUWFJFHSA-N 1 2 472.615 1.941 20 30 JDEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC001473746253 1069218836 /nfs/dbraw/zinc/21/88/36/1069218836.db2.gz DWXNMWQCNXSINJ-UHFFFAOYSA-N 1 2 451.589 1.905 20 30 JDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC001473779565 1069222698 /nfs/dbraw/zinc/22/26/98/1069222698.db2.gz QNTQWAVICUNWPG-QFUCXCTJSA-N 1 2 450.543 1.814 20 30 JDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC001473779565 1069222707 /nfs/dbraw/zinc/22/27/07/1069222707.db2.gz QNTQWAVICUNWPG-QFUCXCTJSA-N 1 2 450.543 1.814 20 30 JDEDLO C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507533917 1072597623 /nfs/dbraw/zinc/59/76/23/1072597623.db2.gz TWVZALYNBIEVJQ-IBGZPJMESA-N 1 2 465.606 1.074 20 30 JDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001507537497 1072600108 /nfs/dbraw/zinc/60/01/08/1072600108.db2.gz IKPVNVAQXNUWMY-UZLBHIALSA-N 1 2 487.561 1.442 20 30 JDEDLO C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001507587866 1072632496 /nfs/dbraw/zinc/63/24/96/1072632496.db2.gz BFFZEAAVYVOCRL-QGZVFWFLSA-N 1 2 477.553 1.685 20 30 JDEDLO C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507612402 1072639486 /nfs/dbraw/zinc/63/94/86/1072639486.db2.gz STUUMAFIVQMOFI-UHFFFAOYSA-N 1 2 473.622 1.626 20 30 JDEDLO C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507618078 1072642890 /nfs/dbraw/zinc/64/28/90/1072642890.db2.gz HDHWNIAUPPHGJO-INIZCTEOSA-N 1 2 465.587 1.840 20 30 JDEDLO C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507618078 1072642906 /nfs/dbraw/zinc/64/29/06/1072642906.db2.gz HDHWNIAUPPHGJO-INIZCTEOSA-N 1 2 465.587 1.840 20 30 JDEDLO C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCNc1cccc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622082 1072645582 /nfs/dbraw/zinc/64/55/82/1072645582.db2.gz AZONTMBVGONHOK-GOSISDBHSA-N 1 2 471.587 1.038 20 30 JDEDLO C#CCN(c1nnc(-c2ccccn2)n1CCCNc1cccc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001507630341 1072679593 /nfs/dbraw/zinc/67/95/93/1072679593.db2.gz XGEMXZWOFUTSNV-SFHVURJKSA-N 1 2 451.556 1.864 20 30 JDEDLO C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507637505 1072718221 /nfs/dbraw/zinc/71/82/21/1072718221.db2.gz BHKPVFVLWMEKEI-RTBURBONSA-N 1 2 490.655 1.392 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001507667594 1072753819 /nfs/dbraw/zinc/75/38/19/1072753819.db2.gz PFCQSLXEGHQOAD-QHCPKHFHSA-N 1 2 459.598 1.510 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001507677361 1072758386 /nfs/dbraw/zinc/75/83/86/1072758386.db2.gz YONFTDTZIDEMPC-VXKWHMMOSA-N 1 2 464.570 1.745 20 30 JDEDLO C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001507679850 1072758786 /nfs/dbraw/zinc/75/87/86/1072758786.db2.gz RWHPPFVSZMWQPW-QUCCMNQESA-N 1 2 460.604 1.249 20 30 JDEDLO C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001507679850 1072758794 /nfs/dbraw/zinc/75/87/94/1072758794.db2.gz RWHPPFVSZMWQPW-QUCCMNQESA-N 1 2 460.604 1.249 20 30 JDEDLO C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001507691507 1072763088 /nfs/dbraw/zinc/76/30/88/1072763088.db2.gz IUBUBAZRTWJXLJ-RTBURBONSA-N 1 2 462.595 1.767 20 30 JDEDLO C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001507691501 1072763284 /nfs/dbraw/zinc/76/32/84/1072763284.db2.gz IUBUBAZRTWJXLJ-MOPGFXCFSA-N 1 2 462.595 1.767 20 30 JDEDLO C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507699879 1072764082 /nfs/dbraw/zinc/76/40/82/1072764082.db2.gz KHAVWONLDUTNRR-WFXMLNOXSA-N 1 2 454.579 1.962 20 30 JDEDLO C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507699879 1072764088 /nfs/dbraw/zinc/76/40/88/1072764088.db2.gz KHAVWONLDUTNRR-WFXMLNOXSA-N 1 2 454.579 1.962 20 30 JDEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507702837 1072765696 /nfs/dbraw/zinc/76/56/96/1072765696.db2.gz MQXRHKZZRXFRIT-UHFFFAOYSA-N 1 2 481.576 1.344 20 30 JDEDLO C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1Cc1c[nH+]ccc1OC ZINC001507710095 1072768323 /nfs/dbraw/zinc/76/83/23/1072768323.db2.gz IKIJRNBLOGRYBS-UHFFFAOYSA-N 1 2 459.510 1.730 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001507715516 1072772537 /nfs/dbraw/zinc/77/25/37/1072772537.db2.gz CGQWDXAXGKSJMR-UHFFFAOYSA-N 1 2 455.563 1.621 20 30 JDEDLO C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001507713427 1072772724 /nfs/dbraw/zinc/77/27/24/1072772724.db2.gz JOBWFLGXJZLPEN-UHFFFAOYSA-N 1 2 464.574 1.506 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001507716123 1072774247 /nfs/dbraw/zinc/77/42/47/1072774247.db2.gz MXDLATYHXGJZAR-UHFFFAOYSA-N 1 2 455.529 1.446 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCn2cc(Br)cn2)CC1 ZINC001507716019 1072774315 /nfs/dbraw/zinc/77/43/15/1072774315.db2.gz LFUHHWKVLOKTRW-UHFFFAOYSA-N 1 2 489.422 1.709 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001507716167 1072775090 /nfs/dbraw/zinc/77/50/90/1072775090.db2.gz NLASNVFWWHXKPM-FQEVSTJZSA-N 1 2 485.633 1.916 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001507716733 1072775742 /nfs/dbraw/zinc/77/57/42/1072775742.db2.gz UBCKPEZZKIUVBP-LJQANCHMSA-N 1 2 473.622 1.819 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(=O)NCC)c2)CC1 ZINC001507716919 1072775909 /nfs/dbraw/zinc/77/59/09/1072775909.db2.gz WJNXPGIDWROOKK-UHFFFAOYSA-N 1 2 465.602 1.750 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001507716664 1072775935 /nfs/dbraw/zinc/77/59/35/1072775935.db2.gz SNADGWWXMRWCNH-RTBURBONSA-N 1 2 473.622 1.817 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(OC)CCOC2)CC1 ZINC001507717161 1072776858 /nfs/dbraw/zinc/77/68/58/1072776858.db2.gz ZKTIBMSRBYMOKF-HSZRJFAPSA-N 1 2 472.977 1.422 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001507717381 1072776868 /nfs/dbraw/zinc/77/68/68/1072776868.db2.gz AFWYDDAMBUMUGT-UHFFFAOYSA-N 1 2 481.420 1.616 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ncn(C)n2)CC1 ZINC001507717726 1072777316 /nfs/dbraw/zinc/77/73/16/1072777316.db2.gz GVBLWHPCMNQJMF-UHFFFAOYSA-N 1 2 471.363 1.648 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C#N)o2)CC1 ZINC001507717720 1072777553 /nfs/dbraw/zinc/77/75/53/1072777553.db2.gz GQOCSGGDAMWTNR-UHFFFAOYSA-N 1 2 479.566 1.464 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001507718027 1072778340 /nfs/dbraw/zinc/77/83/40/1072778340.db2.gz LDOFFGOPVGKYMB-MOPGFXCFSA-N 1 2 457.600 1.919 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001507718028 1072778688 /nfs/dbraw/zinc/77/86/88/1072778688.db2.gz LDOFFGOPVGKYMB-OALUTQOASA-N 1 2 457.600 1.919 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001507718096 1072779221 /nfs/dbraw/zinc/77/92/21/1072779221.db2.gz BDTCASOKRMRELO-UHFFFAOYSA-N 1 2 456.616 1.395 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001507718386 1072779282 /nfs/dbraw/zinc/77/92/82/1072779282.db2.gz DAERAFXRHFYKNQ-VWLOTQADSA-N 1 2 472.634 1.913 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001507718331 1072779420 /nfs/dbraw/zinc/77/94/20/1072779420.db2.gz OUDYYBLRMFLZTJ-QHCPKHFHSA-N 1 2 469.567 1.605 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)COC)CC1 ZINC001507718170 1072779477 /nfs/dbraw/zinc/77/94/77/1072779477.db2.gz CJWWCTJNRDETLZ-KRWDZBQOSA-N 1 2 459.620 1.584 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N[C@H](C)CC)CC1 ZINC001507718300 1072779568 /nfs/dbraw/zinc/77/95/68/1072779568.db2.gz NUPUBXRMIHJYKW-GOSISDBHSA-N 1 2 472.615 1.409 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ncn(-c3ccccc3)n2)CC1 ZINC001507718683 1072779949 /nfs/dbraw/zinc/77/99/49/1072779949.db2.gz GIFYHLYSGZSGRR-LJQANCHMSA-N 1 2 450.547 1.386 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](OC)C(C)C)CC1 ZINC001507718589 1072780151 /nfs/dbraw/zinc/78/01/51/1072780151.db2.gz FGJKGSAJKUXERK-LJQANCHMSA-N 1 2 473.647 1.973 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccco2)CC1 ZINC001507719015 1072781285 /nfs/dbraw/zinc/78/12/85/1072781285.db2.gz JTYYOLOXDBWKPE-QHCPKHFHSA-N 1 2 456.547 1.097 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(CC)c2)CC1 ZINC001507718870 1072781415 /nfs/dbraw/zinc/78/14/15/1072781415.db2.gz UHAIBGMNBNKXSN-UHFFFAOYSA-N 1 2 482.614 1.215 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2conc2COC)CC1 ZINC001507718946 1072781504 /nfs/dbraw/zinc/78/15/04/1072781504.db2.gz XEQAXXKBXRGXAG-UHFFFAOYSA-N 1 2 452.515 1.900 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@H]2C)CC1 ZINC001507719809 1072782081 /nfs/dbraw/zinc/78/20/81/1072782081.db2.gz BDKWAZMKZVSQAV-MOPGFXCFSA-N 1 2 471.631 1.095 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2OC)CC1 ZINC001507719542 1072782236 /nfs/dbraw/zinc/78/22/36/1072782236.db2.gz OOLOBDQIWBFWDI-DEOSSOPVSA-N 1 2 455.559 1.751 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCn2cc(CO)nn2)CC1 ZINC001507720151 1072782938 /nfs/dbraw/zinc/78/29/38/1072782938.db2.gz HHFQGDHVUHDKAJ-UHFFFAOYSA-N 1 2 499.417 1.945 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001507719874 1072783000 /nfs/dbraw/zinc/78/30/00/1072783000.db2.gz QOENVUJTSCEBKV-OAQYLSRUSA-N 1 2 483.560 1.516 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNS(=O)(=O)CC)CC1 ZINC001507720324 1072783930 /nfs/dbraw/zinc/78/39/30/1072783930.db2.gz UDOSBCACGFJTEU-KRWDZBQOSA-N 1 2 464.567 1.252 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2F)CC1 ZINC001507721208 1072784617 /nfs/dbraw/zinc/78/46/17/1072784617.db2.gz HXGSDIWTKMOLAI-CQSZACIVSA-N 1 2 470.521 1.304 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2COCCO2)CC1 ZINC001507720769 1072784639 /nfs/dbraw/zinc/78/46/39/1072784639.db2.gz FTMFTGPWRNTIFU-UGKGYDQZSA-N 1 2 455.559 1.987 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001507720700 1072784674 /nfs/dbraw/zinc/78/46/74/1072784674.db2.gz WDBKSYQLAVCDQB-JOCHJYFZSA-N 1 2 460.966 1.813 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001507721072 1072784834 /nfs/dbraw/zinc/78/48/34/1072784834.db2.gz YDOHPIWLCCZQSE-GOSISDBHSA-N 1 2 491.589 1.252 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001507720826 1072785092 /nfs/dbraw/zinc/78/50/92/1072785092.db2.gz XBXAYTIRLXJFCC-RTBURBONSA-N 1 2 490.605 1.736 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001507721864 1072786444 /nfs/dbraw/zinc/78/64/44/1072786444.db2.gz ZLHMPDXOVDLJSY-UHFFFAOYSA-N 1 2 495.447 1.663 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001507721909 1072786620 /nfs/dbraw/zinc/78/66/20/1072786620.db2.gz MZHSSCMKICTIRV-MRXNPFEDSA-N 1 2 466.558 1.804 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001507721699 1072786845 /nfs/dbraw/zinc/78/68/45/1072786845.db2.gz LHEIYSYKHOVZAL-IBGZPJMESA-N 1 2 495.609 1.879 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)CCC)cc2)CC1 ZINC001507722211 1072787534 /nfs/dbraw/zinc/78/75/34/1072787534.db2.gz RGXGRVLKYFWUDN-GOSISDBHSA-N 1 2 487.630 1.430 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001507721945 1072787663 /nfs/dbraw/zinc/78/76/63/1072787663.db2.gz VTWBVYIYFFWWCJ-UHFFFAOYSA-N 1 2 490.630 1.388 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC001507722303 1072788230 /nfs/dbraw/zinc/78/82/30/1072788230.db2.gz UDPHGCUUVIOKFK-SFHVURJKSA-N 1 2 469.615 1.790 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC001507722302 1072788449 /nfs/dbraw/zinc/78/84/49/1072788449.db2.gz UDPHGCUUVIOKFK-GOSISDBHSA-N 1 2 469.615 1.790 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccc(F)cc23)CC1 ZINC001507722311 1072788502 /nfs/dbraw/zinc/78/85/02/1072788502.db2.gz UJNVNIQDLYDRHB-MRXNPFEDSA-N 1 2 473.578 1.507 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC)Oc2ccccc2F)CC1 ZINC001507722370 1072789205 /nfs/dbraw/zinc/78/92/05/1072789205.db2.gz VLXXVWVZCCVXTN-MSOLQXFVSA-N 1 2 478.594 1.640 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(Cl)c2)CC1 ZINC001507722417 1072789262 /nfs/dbraw/zinc/78/92/62/1072789262.db2.gz WIOBERKCNPXQPA-HNNXBMFYSA-N 1 2 466.995 1.354 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOc3ccccc32)CC1 ZINC001507722368 1072789394 /nfs/dbraw/zinc/78/93/94/1072789394.db2.gz VKAZHZMHKVDCPT-ROUUACIJSA-N 1 2 458.588 1.210 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001507722622 1072789422 /nfs/dbraw/zinc/78/94/22/1072789422.db2.gz CBDQSMOHYZNFKI-IBGZPJMESA-N 1 2 482.585 1.212 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001507723362 1072790944 /nfs/dbraw/zinc/79/09/44/1072790944.db2.gz FVUJKHOXMBEEBZ-KRWDZBQOSA-N 1 2 474.512 1.837 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001507723720 1072791616 /nfs/dbraw/zinc/79/16/16/1072791616.db2.gz RWYXUQVNTKBKQF-QZTJIDSGSA-N 1 2 457.579 1.384 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCCC=C)CC1 ZINC001507723649 1072791665 /nfs/dbraw/zinc/79/16/65/1072791665.db2.gz POTJUJQZRAOJBK-UHFFFAOYSA-N 1 2 457.604 1.586 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(OC)cc(OC)cc2OC)CC1 ZINC001507723630 1072791769 /nfs/dbraw/zinc/79/17/69/1072791769.db2.gz OVFYOXKLHVYDEO-LJQANCHMSA-N 1 2 468.558 1.253 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCCS(C)(=O)=O)CC1 ZINC001507723752 1072792036 /nfs/dbraw/zinc/79/20/36/1072792036.db2.gz SZNHTNVAMWLHPZ-UHFFFAOYSA-N 1 2 497.625 1.162 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001507724001 1072792795 /nfs/dbraw/zinc/79/27/95/1072792795.db2.gz CPICKRLRBYVRIZ-GOSISDBHSA-N 1 2 460.579 1.045 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507724591 1072793290 /nfs/dbraw/zinc/79/32/90/1072793290.db2.gz TWQAFSBVTOJAAN-FQEVSTJZSA-N 1 2 477.535 1.672 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507724547 1072793344 /nfs/dbraw/zinc/79/33/44/1072793344.db2.gz RZZGKQZMLJFHBV-HXUWFJFHSA-N 1 2 477.535 1.672 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC001507724891 1072793681 /nfs/dbraw/zinc/79/36/81/1072793681.db2.gz LLRTYFWTFFUPJA-UHFFFAOYSA-N 1 2 471.612 1.444 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001507725878 1072793782 /nfs/dbraw/zinc/79/37/82/1072793782.db2.gz BUZYFCHEVALMKP-FQEVSTJZSA-N 1 2 472.615 1.202 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 ZINC001507725695 1072794074 /nfs/dbraw/zinc/79/40/74/1072794074.db2.gz YVVGBLIRTQNPFP-UHFFFAOYSA-N 1 2 455.588 1.131 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001507725401 1072794166 /nfs/dbraw/zinc/79/41/66/1072794166.db2.gz VBARPBYDYSAFOP-UHFFFAOYSA-N 1 2 453.572 1.080 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001507727626 1072795880 /nfs/dbraw/zinc/79/58/80/1072795880.db2.gz QVTGPOPVESLEMI-UHFFFAOYSA-N 1 2 473.603 1.550 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001507728386 1072796746 /nfs/dbraw/zinc/79/67/46/1072796746.db2.gz SFOCMDALJOLJMM-UHFFFAOYSA-N 1 2 466.586 1.109 20 30 JDEDLO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001507728332 1072797357 /nfs/dbraw/zinc/79/73/57/1072797357.db2.gz XUGUKKDZDRZXPN-UHFFFAOYSA-N 1 2 464.599 1.534 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001507728146 1072797385 /nfs/dbraw/zinc/79/73/85/1072797385.db2.gz OXLURYRPTMFFOV-NRFANRHFSA-N 1 2 456.616 1.100 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001507731215 1072800189 /nfs/dbraw/zinc/80/01/89/1072800189.db2.gz DCDVCLXIMSGXNM-LJQANCHMSA-N 1 2 471.606 1.426 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)CC1 ZINC001507731573 1072800402 /nfs/dbraw/zinc/80/04/02/1072800402.db2.gz LYLKDKLUDXNGGT-UXHICEINSA-N 1 2 474.606 1.563 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001507731369 1072800429 /nfs/dbraw/zinc/80/04/29/1072800429.db2.gz GTHGUWWSUKEALT-OAQYLSRUSA-N 1 2 457.600 1.921 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCc2ccco2)CC1 ZINC001507732093 1072801239 /nfs/dbraw/zinc/80/12/39/1072801239.db2.gz BWOOYAYPBQUADN-TZIWHRDSSA-N 1 2 454.575 1.861 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001507732310 1072801278 /nfs/dbraw/zinc/80/12/78/1072801278.db2.gz FLWMPHVZIGEJEX-YIGJPRQDSA-N 1 2 458.607 1.965 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001507732530 1072801792 /nfs/dbraw/zinc/80/17/92/1072801792.db2.gz WJDMQZXLUIJOGA-QGZVFWFLSA-N 1 2 450.465 1.922 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2Cc2cccn(CC)c2=O)CC1 ZINC001507733017 1072802143 /nfs/dbraw/zinc/80/21/43/1072802143.db2.gz WNDHPGSTLPXBAO-UHFFFAOYSA-N 1 2 450.518 1.981 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(OC)CCOC2)CC1 ZINC001507733035 1072802208 /nfs/dbraw/zinc/80/22/08/1072802208.db2.gz NDEBBPRNDSVNCJ-YADARESESA-N 1 2 474.606 1.911 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCCC)CC1 ZINC001507733245 1072802407 /nfs/dbraw/zinc/80/24/07/1072802407.db2.gz QUKBSIGFZOTLTC-HDICACEKSA-N 1 2 459.595 1.330 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001507742607 1072820162 /nfs/dbraw/zinc/82/01/62/1072820162.db2.gz METHSADJKQHDHG-QFIPXVFZSA-N 1 2 450.587 1.880 20 30 JDEDLO C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001507744289 1072820753 /nfs/dbraw/zinc/82/07/53/1072820753.db2.gz QQNIEUQKZMANEW-IBGZPJMESA-N 1 2 468.631 1.508 20 30 JDEDLO C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001507766380 1072828463 /nfs/dbraw/zinc/82/84/63/1072828463.db2.gz ZOQPVOOGLSMFLY-NYESOORMSA-N 1 2 494.662 1.150 20 30 JDEDLO C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001507785406 1072833671 /nfs/dbraw/zinc/83/36/71/1072833671.db2.gz QNTNJCNPNHSQEV-DLBZAZTESA-N 1 2 467.412 1.824 20 30 JDEDLO C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001507830784 1072844951 /nfs/dbraw/zinc/84/49/51/1072844951.db2.gz ZHAWUNIYPGPHQO-GOSISDBHSA-N 1 2 450.584 1.931 20 30 JDEDLO C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001507983257 1072863404 /nfs/dbraw/zinc/86/34/04/1072863404.db2.gz POXUFMHKSRWQQW-ROUUACIJSA-N 1 2 484.573 1.814 20 30 JDEDLO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)C(C)C ZINC001508012099 1072866491 /nfs/dbraw/zinc/86/64/91/1072866491.db2.gz BKTNXYWJYWARTJ-RBUKOAKNSA-N 1 2 469.677 1.448 20 30 JDEDLO C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001508018572 1072867198 /nfs/dbraw/zinc/86/71/98/1072867198.db2.gz GHBFUYRJIFEZRC-MSOLQXFVSA-N 1 2 472.619 1.859 20 30 JDEDLO C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001508018572 1072867209 /nfs/dbraw/zinc/86/72/09/1072867209.db2.gz GHBFUYRJIFEZRC-MSOLQXFVSA-N 1 2 472.619 1.859 20 30 JDEDLO C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001508037372 1072868091 /nfs/dbraw/zinc/86/80/91/1072868091.db2.gz BMSZPBRFFDCUIX-OAQYLSRUSA-N 1 2 459.616 1.877 20 30 JDEDLO C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001508037372 1072868092 /nfs/dbraw/zinc/86/80/92/1072868092.db2.gz BMSZPBRFFDCUIX-OAQYLSRUSA-N 1 2 459.616 1.877 20 30 JDEDLO C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001508048710 1072869648 /nfs/dbraw/zinc/86/96/48/1072869648.db2.gz WNFTXFUMYVGRAS-INIZCTEOSA-N 1 2 470.574 1.946 20 30 JDEDLO C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001508048180 1072869776 /nfs/dbraw/zinc/86/97/76/1072869776.db2.gz PHCHBKRRLCVMNJ-UHFFFAOYSA-N 1 2 458.588 1.279 20 30 JDEDLO C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001508072856 1072874482 /nfs/dbraw/zinc/87/44/82/1072874482.db2.gz KXYCYJVVWDZGCV-MRXNPFEDSA-N 1 2 471.993 1.690 20 30 JDEDLO C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001508078864 1072878518 /nfs/dbraw/zinc/87/85/18/1072878518.db2.gz KYSCBNRJAOKHFR-UHFFFAOYSA-N 1 2 490.612 1.786 20 30 JDEDLO C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001508086467 1072882918 /nfs/dbraw/zinc/88/29/18/1072882918.db2.gz LOWUXAOPAGTFHF-QGZVFWFLSA-N 1 2 467.578 1.080 20 30 JDEDLO C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508087540 1072883670 /nfs/dbraw/zinc/88/36/70/1072883670.db2.gz SWYQHEADVGXQNB-OAQYLSRUSA-N 1 2 479.629 1.612 20 30 JDEDLO C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001508091639 1072887239 /nfs/dbraw/zinc/88/72/39/1072887239.db2.gz WCNJRGCIZJYBFX-LJQANCHMSA-N 1 2 472.565 1.944 20 30 JDEDLO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001508094078 1072889812 /nfs/dbraw/zinc/88/98/12/1072889812.db2.gz MKEVIQSRBZGYDC-UHFFFAOYSA-N 1 2 469.521 1.917 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001508143170 1072918721 /nfs/dbraw/zinc/91/87/21/1072918721.db2.gz FDEXOIKDPYHPIN-UHFFFAOYSA-N 1 2 468.587 1.290 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001508145741 1072924970 /nfs/dbraw/zinc/92/49/70/1072924970.db2.gz PAIAWTIYXWNLMC-SFHVURJKSA-N 1 2 495.596 1.906 20 30 JDEDLO C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001508145804 1072925185 /nfs/dbraw/zinc/92/51/85/1072925185.db2.gz QEDPPYUUKFYUPJ-OAQYLSRUSA-N 1 2 459.616 1.748 20 30 JDEDLO C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508147955 1072927346 /nfs/dbraw/zinc/92/73/46/1072927346.db2.gz OEAYVYZKWNTRSW-GOSISDBHSA-N 1 2 463.652 1.468 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001508271365 1073039325 /nfs/dbraw/zinc/03/93/25/1073039325.db2.gz CMPZMDCQEFWHMO-MRXNPFEDSA-N 1 2 458.592 1.030 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001508274603 1073043482 /nfs/dbraw/zinc/04/34/82/1073043482.db2.gz QORPADYPQBTEOU-JOCHJYFZSA-N 1 2 481.601 1.756 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001508275186 1073045773 /nfs/dbraw/zinc/04/57/73/1073045773.db2.gz STFHAMYTAMDBOS-JOCHJYFZSA-N 1 2 459.501 1.602 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001508276992 1073049976 /nfs/dbraw/zinc/04/99/76/1073049976.db2.gz DHEBFOQAILYEKG-IBGZPJMESA-N 1 2 480.621 1.355 20 30 JDEDLO C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@H]1C ZINC001508415343 1073219302 /nfs/dbraw/zinc/21/93/02/1073219302.db2.gz BBNIQOQLQLLZJB-DLBZAZTESA-N 1 2 450.547 1.509 20 30 JDEDLO C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@H]1C ZINC001508415343 1073219314 /nfs/dbraw/zinc/21/93/14/1073219314.db2.gz BBNIQOQLQLLZJB-DLBZAZTESA-N 1 2 450.547 1.509 20 30 JDEDLO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001508427084 1073222199 /nfs/dbraw/zinc/22/21/99/1073222199.db2.gz XZCAVGRJGWEORM-FUHWJXTLSA-N 1 2 459.576 1.056 20 30 JDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 ZINC001508430763 1073225964 /nfs/dbraw/zinc/22/59/64/1073225964.db2.gz CUZWRFHIVGFJGU-KRWDZBQOSA-N 1 2 451.575 1.767 20 30 JDEDLO CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001508727883 1073352308 /nfs/dbraw/zinc/35/23/08/1073352308.db2.gz CBRKLGLERDFUGE-UHFFFAOYSA-N 1 2 451.575 1.722 20 30 JDEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164708461 719868915 /nfs/dbraw/zinc/86/89/15/719868915.db2.gz ZHTPTYSXNXLZAD-SRGWNRLKSA-N 1 2 467.526 1.643 20 30 JDEDLO COc1cc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(C#N)c(Cl)n1 ZINC001164709175 719915541 /nfs/dbraw/zinc/91/55/41/719915541.db2.gz PYRGNXOUPAVOOZ-UHFFFAOYSA-N 1 2 479.919 1.844 20 30 JDEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719057 720265048 /nfs/dbraw/zinc/26/50/48/720265048.db2.gz KWMZIYQAZVNKJB-NRFANRHFSA-N 1 2 499.946 1.993 20 30 JDEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719057 720265062 /nfs/dbraw/zinc/26/50/62/720265062.db2.gz KWMZIYQAZVNKJB-NRFANRHFSA-N 1 2 499.946 1.993 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722775 720299202 /nfs/dbraw/zinc/29/92/02/720299202.db2.gz ROQXJJDBOOPKBY-GAJHUEQPSA-N 1 2 458.563 1.090 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722775 720299206 /nfs/dbraw/zinc/29/92/06/720299206.db2.gz ROQXJJDBOOPKBY-GAJHUEQPSA-N 1 2 458.563 1.090 20 30 JDEDLO COC(=O)c1cc(C#N)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824450 720383767 /nfs/dbraw/zinc/38/37/67/720383767.db2.gz RYSSEIBYMGAOIS-UHFFFAOYSA-N 1 2 454.556 1.818 20 30 JDEDLO COC(=O)c1cc(C#N)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824450 720383775 /nfs/dbraw/zinc/38/37/75/720383775.db2.gz RYSSEIBYMGAOIS-UHFFFAOYSA-N 1 2 454.556 1.818 20 30 JDEDLO CSc1nc(Cl)c(C=NO)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824031 720440795 /nfs/dbraw/zinc/44/07/95/720440795.db2.gz LGYWPPQIEGHAQD-AWEZNQCLSA-N 1 2 482.010 1.846 20 30 JDEDLO CCOC(=O)c1cc(C)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C#N ZINC001164821936 720441979 /nfs/dbraw/zinc/44/19/79/720441979.db2.gz AWONILOLTNCYPH-GOSISDBHSA-N 1 2 468.558 1.625 20 30 JDEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)c1 ZINC001476204247 1069641420 /nfs/dbraw/zinc/64/14/20/1069641420.db2.gz AEZSZRIOSGIPQJ-UHFFFAOYSA-N 1 2 451.531 1.970 20 30 JDEDLO CCN(CC)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c[nH+]1 ZINC001501841000 1069746349 /nfs/dbraw/zinc/74/63/49/1069746349.db2.gz VIJGSFVDPVMQCW-MJGOQNOKSA-N 1 2 490.634 1.639 20 30 JDEDLO C=CCS(=O)(=O)CCNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001478282300 1069950531 /nfs/dbraw/zinc/95/05/31/1069950531.db2.gz DEXYERFWAQQJHT-UHFFFAOYSA-N 1 2 450.605 1.258 20 30 JDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 ZINC001478403909 1069986882 /nfs/dbraw/zinc/98/68/82/1069986882.db2.gz OADQVOHBGYJXJL-RDJZCZTQSA-N 1 2 451.568 1.851 20 30 JDEDLO CCN1CC[NH+]([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502314470 1070093827 /nfs/dbraw/zinc/09/38/27/1070093827.db2.gz WCRBGKCAOYIOHH-QZTJIDSGSA-N 1 2 459.545 1.902 20 30 JDEDLO CSc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1C#N ZINC001479314942 1070126386 /nfs/dbraw/zinc/12/63/86/1070126386.db2.gz XVVDDZZSMDEGAQ-UHFFFAOYSA-N 1 2 453.572 1.939 20 30 JDEDLO CSc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1C#N ZINC001479314942 1070126396 /nfs/dbraw/zinc/12/63/96/1070126396.db2.gz XVVDDZZSMDEGAQ-UHFFFAOYSA-N 1 2 453.572 1.939 20 30 JDEDLO Cc1cc(C[NH+]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NC(C)C)CC2)on1 ZINC001493158211 1070221777 /nfs/dbraw/zinc/22/17/77/1070221777.db2.gz VZYHBWRJNXAGNC-UHFFFAOYSA-N 1 2 478.557 1.872 20 30 JDEDLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)NC(C)C)CC2)on1 ZINC001493157576 1070222072 /nfs/dbraw/zinc/22/20/72/1070222072.db2.gz RPCVLEHWZXDBOH-UHFFFAOYSA-N 1 2 498.613 1.763 20 30 JDEDLO CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001502372360 1070319350 /nfs/dbraw/zinc/31/93/50/1070319350.db2.gz KGSPPFLIFKWTKB-SFHVURJKSA-N 1 2 492.628 1.768 20 30 JDEDLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502469005 1070520280 /nfs/dbraw/zinc/52/02/80/1070520280.db2.gz KHPMHYBKYHNLJM-HXUWFJFHSA-N 1 2 480.598 1.844 20 30 JDEDLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502469004 1070521204 /nfs/dbraw/zinc/52/12/04/1070521204.db2.gz KHPMHYBKYHNLJM-FQEVSTJZSA-N 1 2 480.598 1.844 20 30 JDEDLO CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502635873 1070714108 /nfs/dbraw/zinc/71/41/08/1070714108.db2.gz OXSPVNWQDCOGFY-VWLOTQADSA-N 1 2 481.601 1.602 20 30 JDEDLO CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502635872 1070714307 /nfs/dbraw/zinc/71/43/07/1070714307.db2.gz OXSPVNWQDCOGFY-RUZDIDTESA-N 1 2 481.601 1.602 20 30 JDEDLO CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504026718 1070790747 /nfs/dbraw/zinc/79/07/47/1070790747.db2.gz DTBXICBPIAFHCU-RUZDIDTESA-N 1 2 481.601 1.898 20 30 JDEDLO COC[C@@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504608692 1071465492 /nfs/dbraw/zinc/46/54/92/1071465492.db2.gz MEUTYMHPFLHQQW-RTWAWAEBSA-N 1 2 490.605 1.749 20 30 JDEDLO COC[C@@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504608692 1071465506 /nfs/dbraw/zinc/46/55/06/1071465506.db2.gz MEUTYMHPFLHQQW-RTWAWAEBSA-N 1 2 490.605 1.749 20 30 JDEDLO COCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 ZINC001504911151 1071866300 /nfs/dbraw/zinc/86/63/00/1071866300.db2.gz QOQUECPTTSDTSM-UHFFFAOYSA-N 1 2 453.591 1.696 20 30 JDEDLO COCC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001504926943 1071921221 /nfs/dbraw/zinc/92/12/21/1071921221.db2.gz UOTMOESNFFFEDL-MGBGTMOVSA-N 1 2 472.615 1.798 20 30 JDEDLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503704902 1072047539 /nfs/dbraw/zinc/04/75/39/1072047539.db2.gz HTYDZTJHXGJELC-GOSISDBHSA-N 1 2 474.569 1.915 20 30 JDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)CC1 ZINC001464845899 1067673814 /nfs/dbraw/zinc/67/38/14/1067673814.db2.gz HDNDCSZBXSFHRP-UHFFFAOYSA-N 1 2 454.571 1.332 20 30 JDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)CC1 ZINC001464845899 1067673826 /nfs/dbraw/zinc/67/38/26/1067673826.db2.gz HDNDCSZBXSFHRP-UHFFFAOYSA-N 1 2 454.571 1.332 20 30 JDEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC001465278682 1067771263 /nfs/dbraw/zinc/77/12/63/1067771263.db2.gz VDXGBHCWAXCPOE-UHFFFAOYSA-N 1 2 453.524 1.850 20 30 JDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC001465278682 1067771273 /nfs/dbraw/zinc/77/12/73/1067771273.db2.gz VDXGBHCWAXCPOE-UHFFFAOYSA-N 1 2 453.524 1.850 20 30 JDEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC001465380436 1067791488 /nfs/dbraw/zinc/79/14/88/1067791488.db2.gz ZODVETCMQIFBLM-OAHLLOKOSA-N 1 2 459.037 1.888 20 30 JDEDLO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001467678026 1068050566 /nfs/dbraw/zinc/05/05/66/1068050566.db2.gz KIFSBRYAZSLMEV-SFHVURJKSA-N 1 2 450.605 1.709 20 30 JDEDLO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001467678026 1068050580 /nfs/dbraw/zinc/05/05/80/1068050580.db2.gz KIFSBRYAZSLMEV-SFHVURJKSA-N 1 2 450.605 1.709 20 30 JDEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)CC1 ZINC001472544915 1069028876 /nfs/dbraw/zinc/02/88/76/1069028876.db2.gz DKXMKMWAEXXBMT-UHFFFAOYSA-N 1 2 455.540 1.139 20 30 JDEDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1S(=O)(=O)N(C)C ZINC001473513096 1069173205 /nfs/dbraw/zinc/17/32/05/1069173205.db2.gz MOTQSBOLJVKWHA-QGZVFWFLSA-N 1 2 459.528 1.304 20 30 JDEDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1S(=O)(=O)N(C)C ZINC001473513096 1069173226 /nfs/dbraw/zinc/17/32/26/1069173226.db2.gz MOTQSBOLJVKWHA-QGZVFWFLSA-N 1 2 459.528 1.304 20 30 JDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C3)CC2)o1 ZINC001473659719 1069203078 /nfs/dbraw/zinc/20/30/78/1069203078.db2.gz PRVCDPOQKHEQEV-NVXWUHKLSA-N 1 2 450.515 1.440 20 30 JDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C3)CC2)o1 ZINC001473659719 1069203089 /nfs/dbraw/zinc/20/30/89/1069203089.db2.gz PRVCDPOQKHEQEV-NVXWUHKLSA-N 1 2 450.515 1.440 20 30 JDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC001473779564 1069222214 /nfs/dbraw/zinc/22/22/14/1069222214.db2.gz QNTQWAVICUNWPG-LMNJBCLMSA-N 1 2 450.543 1.814 20 30 JDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC001473779564 1069222228 /nfs/dbraw/zinc/22/22/28/1069222228.db2.gz QNTQWAVICUNWPG-LMNJBCLMSA-N 1 2 450.543 1.814 20 30 JDEDLO C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507533923 1072597486 /nfs/dbraw/zinc/59/74/86/1072597486.db2.gz TWVZALYNBIEVJQ-LJQANCHMSA-N 1 2 465.606 1.074 20 30 JDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001507537493 1072599983 /nfs/dbraw/zinc/59/99/83/1072599983.db2.gz IKPVNVAQXNUWMY-OXJNMPFZSA-N 1 2 487.561 1.442 20 30 JDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507545712 1072606482 /nfs/dbraw/zinc/60/64/82/1072606482.db2.gz AEZJMFAUBFFELT-RLLQIKCJSA-N 1 2 473.622 1.671 20 30 JDEDLO C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507546892 1072607898 /nfs/dbraw/zinc/60/78/98/1072607898.db2.gz SUKRXAZCLCAFPJ-LJQANCHMSA-N 1 2 454.575 1.878 20 30 JDEDLO C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001507560994 1072619446 /nfs/dbraw/zinc/61/94/46/1072619446.db2.gz QBTBILGVWJKKBT-UHFFFAOYSA-N 1 2 469.590 1.800 20 30 JDEDLO C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001507575978 1072628498 /nfs/dbraw/zinc/62/84/98/1072628498.db2.gz VDWJWPGQAFGXHI-KRWDZBQOSA-N 1 2 478.594 1.772 20 30 JDEDLO C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001507587862 1072632461 /nfs/dbraw/zinc/63/24/61/1072632461.db2.gz BFFZEAAVYVOCRL-KRWDZBQOSA-N 1 2 477.553 1.685 20 30 JDEDLO C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001507601950 1072637381 /nfs/dbraw/zinc/63/73/81/1072637381.db2.gz WQZUPZNXRBGCSO-ICSRJNTNSA-N 1 2 460.604 1.340 20 30 JDEDLO C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001507601949 1072637411 /nfs/dbraw/zinc/63/74/11/1072637411.db2.gz WQZUPZNXRBGCSO-AZUAARDMSA-N 1 2 460.604 1.340 20 30 JDEDLO C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC001507622751 1072648558 /nfs/dbraw/zinc/64/85/58/1072648558.db2.gz LXIHFZRTDMLRCF-FQEVSTJZSA-N 1 2 499.641 1.477 20 30 JDEDLO C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507623841 1072653854 /nfs/dbraw/zinc/65/38/54/1072653854.db2.gz YCJWXQRYIGIIIW-LJQANCHMSA-N 1 2 464.636 1.309 20 30 JDEDLO C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCNc1cccc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001507634579 1072708698 /nfs/dbraw/zinc/70/86/98/1072708698.db2.gz ZEOSOALLASQWCB-RTBURBONSA-N 1 2 458.588 1.696 20 30 JDEDLO C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507637498 1072718532 /nfs/dbraw/zinc/71/85/32/1072718532.db2.gz BHKPVFVLWMEKEI-OALUTQOASA-N 1 2 490.655 1.392 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001507653956 1072745526 /nfs/dbraw/zinc/74/55/26/1072745526.db2.gz UELKLFTYXBUKTE-FQEVSTJZSA-N 1 2 484.601 1.524 20 30 JDEDLO C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001507657342 1072748349 /nfs/dbraw/zinc/74/83/49/1072748349.db2.gz PUWMJFWPDJFJAG-HSZRJFAPSA-N 1 2 460.582 1.855 20 30 JDEDLO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507659055 1072748880 /nfs/dbraw/zinc/74/88/80/1072748880.db2.gz UJCHIJMAJXSIHJ-IBGZPJMESA-N 1 2 484.568 1.889 20 30 JDEDLO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507659055 1072748892 /nfs/dbraw/zinc/74/88/92/1072748892.db2.gz UJCHIJMAJXSIHJ-IBGZPJMESA-N 1 2 484.568 1.889 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001507659145 1072749030 /nfs/dbraw/zinc/74/90/30/1072749030.db2.gz LQLDRVKNLAGDOR-AQNXPRMDSA-N 1 2 456.591 1.842 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001507659145 1072749040 /nfs/dbraw/zinc/74/90/40/1072749040.db2.gz LQLDRVKNLAGDOR-AQNXPRMDSA-N 1 2 456.591 1.842 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001507660061 1072749165 /nfs/dbraw/zinc/74/91/65/1072749165.db2.gz LPFHGNMHDMTMFG-IBGZPJMESA-N 1 2 469.615 1.785 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507660955 1072750543 /nfs/dbraw/zinc/75/05/43/1072750543.db2.gz IMGQROXDBNKNKR-CPJSRVTESA-N 1 2 478.601 1.894 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507660955 1072750554 /nfs/dbraw/zinc/75/05/54/1072750554.db2.gz IMGQROXDBNKNKR-CPJSRVTESA-N 1 2 478.601 1.894 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001507660507 1072750696 /nfs/dbraw/zinc/75/06/96/1072750696.db2.gz VZFLPQZUEUJBJZ-SFHVURJKSA-N 1 2 451.556 1.585 20 30 JDEDLO C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507678592 1072759137 /nfs/dbraw/zinc/75/91/37/1072759137.db2.gz KRYPXJCYAQDQCS-MBSDFSHPSA-N 1 2 454.579 1.890 20 30 JDEDLO C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507678592 1072759142 /nfs/dbraw/zinc/75/91/42/1072759142.db2.gz KRYPXJCYAQDQCS-MBSDFSHPSA-N 1 2 454.579 1.890 20 30 JDEDLO C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001507691503 1072763071 /nfs/dbraw/zinc/76/30/71/1072763071.db2.gz IUBUBAZRTWJXLJ-OALUTQOASA-N 1 2 462.595 1.767 20 30 JDEDLO C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001507713279 1072771834 /nfs/dbraw/zinc/77/18/34/1072771834.db2.gz DECXYJIEVBOBSZ-UHFFFAOYSA-N 1 2 451.506 1.860 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)C2CC2)CC1 ZINC001507715610 1072773353 /nfs/dbraw/zinc/77/33/53/1072773353.db2.gz FCOFIDYCUJDWHC-QHCPKHFHSA-N 1 2 456.978 1.778 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCCc2ccccc2)CC1 ZINC001507716149 1072775046 /nfs/dbraw/zinc/77/50/46/1072775046.db2.gz NEEXBCUHGINAMH-UHFFFAOYSA-N 1 2 450.587 1.919 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C(=O)NC)CC1 ZINC001507716639 1072775336 /nfs/dbraw/zinc/77/53/36/1072775336.db2.gz SMNXQEVBUYKERT-UHFFFAOYSA-N 1 2 451.575 1.675 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001507716657 1072775797 /nfs/dbraw/zinc/77/57/97/1072775797.db2.gz SNADGWWXMRWCNH-OALUTQOASA-N 1 2 473.622 1.817 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 ZINC001507716762 1072775815 /nfs/dbraw/zinc/77/58/15/1072775815.db2.gz UMICVPATEGGAIO-UHFFFAOYSA-N 1 2 468.558 1.343 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccc3c(c2)OCO3)CC1 ZINC001507717171 1072776664 /nfs/dbraw/zinc/77/66/64/1072776664.db2.gz ZRUNAZOQNHXOKV-UHFFFAOYSA-N 1 2 452.559 1.878 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001507717162 1072776731 /nfs/dbraw/zinc/77/67/31/1072776731.db2.gz ZKTIBMSRBYMOKF-QHCPKHFHSA-N 1 2 472.977 1.422 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 ZINC001507718477 1072779324 /nfs/dbraw/zinc/77/93/24/1072779324.db2.gz DRGRBRVLAAOMFV-AREMUKBSSA-N 1 2 480.613 1.872 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001507718194 1072779496 /nfs/dbraw/zinc/77/94/96/1072779496.db2.gz MIXWRXWNCPCQHG-WIYYLYMNSA-N 1 2 472.615 1.376 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001507718338 1072779543 /nfs/dbraw/zinc/77/95/43/1072779543.db2.gz PABFYACTKFCXFI-FQEVSTJZSA-N 1 2 482.585 1.641 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(C)COCCO2)CC1 ZINC001507718638 1072780066 /nfs/dbraw/zinc/78/00/66/1072780066.db2.gz SNXOSWJDXZMSMJ-XMMPIXPASA-N 1 2 471.558 1.532 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001507718573 1072780192 /nfs/dbraw/zinc/78/01/92/1072780192.db2.gz QODCQWGEUYTRFT-UHFFFAOYSA-N 1 2 498.653 1.895 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001507718835 1072780296 /nfs/dbraw/zinc/78/02/96/1072780296.db2.gz SXCADZKXVJGCDK-YADARESESA-N 1 2 486.642 1.502 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001507718984 1072781436 /nfs/dbraw/zinc/78/14/36/1072781436.db2.gz JCIDKFXJLBSYEX-NRFANRHFSA-N 1 2 468.602 1.642 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN(CC)S(C)(=O)=O)CC1 ZINC001507718925 1072781472 /nfs/dbraw/zinc/78/14/72/1072781472.db2.gz WHVNPMYINNECPI-UHFFFAOYSA-N 1 2 460.604 1.381 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@@H]2C)CC1 ZINC001507719814 1072782053 /nfs/dbraw/zinc/78/20/53/1072782053.db2.gz BDKWAZMKZVSQAV-OALUTQOASA-N 1 2 471.631 1.095 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@H]2C)CC1 ZINC001507719825 1072782896 /nfs/dbraw/zinc/78/28/96/1072782896.db2.gz BDKWAZMKZVSQAV-RTBURBONSA-N 1 2 471.631 1.095 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001507720061 1072783367 /nfs/dbraw/zinc/78/33/67/1072783367.db2.gz CAUFAELLECOYAT-INIZCTEOSA-N 1 2 479.676 1.640 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCOCCCO)CC1 ZINC001507720308 1072784041 /nfs/dbraw/zinc/78/40/41/1072784041.db2.gz FXDPCXBYCZTVJI-UHFFFAOYSA-N 1 2 478.391 1.870 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001507720231 1072784268 /nfs/dbraw/zinc/78/42/68/1072784268.db2.gz SYIYPSHCZWDSCU-MSOLQXFVSA-N 1 2 458.529 1.642 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001507721511 1072785641 /nfs/dbraw/zinc/78/56/41/1072785641.db2.gz UOUWUUADGOYHGK-FQEVSTJZSA-N 1 2 487.626 1.547 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001507721435 1072785978 /nfs/dbraw/zinc/78/59/78/1072785978.db2.gz OWWJWEHEEFEWQC-LJQANCHMSA-N 1 2 452.559 1.775 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC2CCCC2)CC1 ZINC001507721395 1072786009 /nfs/dbraw/zinc/78/60/09/1072786009.db2.gz JNGVDAYMSXMGIJ-SFHVURJKSA-N 1 2 487.630 1.408 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001507721716 1072786416 /nfs/dbraw/zinc/78/64/16/1072786416.db2.gz SRGNVCIJSFBORZ-GOSISDBHSA-N 1 2 475.479 1.643 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507721815 1072786684 /nfs/dbraw/zinc/78/66/84/1072786684.db2.gz TZURWGXDMULKLX-FQEVSTJZSA-N 1 2 478.519 1.972 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001507721719 1072786799 /nfs/dbraw/zinc/78/67/99/1072786799.db2.gz SRGNVCIJSFBORZ-SFHVURJKSA-N 1 2 475.479 1.643 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(=O)N(C)C)CC1 ZINC001507721829 1072786910 /nfs/dbraw/zinc/78/69/10/1072786910.db2.gz UKOKPPDIPFIBSE-UHFFFAOYSA-N 1 2 475.391 1.950 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001507721726 1072786964 /nfs/dbraw/zinc/78/69/64/1072786964.db2.gz SUDSTHQFUQMASZ-UHFFFAOYSA-N 1 2 488.522 1.560 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nc3ccccc3[nH]2)CC1 ZINC001507722227 1072787312 /nfs/dbraw/zinc/78/73/12/1072787312.db2.gz ROXKQLPAXXMTMH-QGZVFWFLSA-N 1 2 470.603 1.153 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001507721908 1072787499 /nfs/dbraw/zinc/78/74/99/1072787499.db2.gz VFMLJASZHFFVGM-GYHWCHFESA-N 1 2 459.554 1.789 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001507722022 1072787748 /nfs/dbraw/zinc/78/77/48/1072787748.db2.gz WVSXLIDHFWHDEC-UHFFFAOYSA-N 1 2 492.584 1.649 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccc(F)cc23)CC1 ZINC001507722310 1072788176 /nfs/dbraw/zinc/78/81/76/1072788176.db2.gz UJNVNIQDLYDRHB-INIZCTEOSA-N 1 2 473.578 1.507 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc32)CC1 ZINC001507722279 1072788210 /nfs/dbraw/zinc/78/82/10/1072788210.db2.gz SMMLEWKLYGSMCY-RBUKOAKNSA-N 1 2 471.631 1.095 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001507722324 1072788401 /nfs/dbraw/zinc/78/84/01/1072788401.db2.gz URHWCBJRGODBHW-ZWKOTPCHSA-N 1 2 495.650 1.043 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc32)CC1 ZINC001507722278 1072788424 /nfs/dbraw/zinc/78/84/24/1072788424.db2.gz SMMLEWKLYGSMCY-OALUTQOASA-N 1 2 471.631 1.095 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2cccc(F)c2)CC1 ZINC001507722333 1072788601 /nfs/dbraw/zinc/78/86/01/1072788601.db2.gz UUMZZLCQLXZYSG-IAGOWNOFSA-N 1 2 464.567 1.250 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC001507722398 1072789515 /nfs/dbraw/zinc/78/95/15/1072789515.db2.gz VWEWRUPXAKYULT-UHFFFAOYSA-N 1 2 450.634 1.679 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001507722713 1072790083 /nfs/dbraw/zinc/79/00/83/1072790083.db2.gz GERXLRQDFVNOOR-NRFANRHFSA-N 1 2 469.540 1.928 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001507722985 1072790158 /nfs/dbraw/zinc/79/01/58/1072790158.db2.gz QEHMTQQESTVCFG-UHFFFAOYSA-N 1 2 453.572 1.140 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001507722714 1072790230 /nfs/dbraw/zinc/79/02/30/1072790230.db2.gz GERXLRQDFVNOOR-OAQYLSRUSA-N 1 2 469.540 1.928 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cccc(OC)c2)CC1 ZINC001507723301 1072790824 /nfs/dbraw/zinc/79/08/24/1072790824.db2.gz CPPWGYUBBPKVFK-UHFFFAOYSA-N 1 2 459.554 1.842 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001507723317 1072791012 /nfs/dbraw/zinc/79/10/12/1072791012.db2.gz DAHNTLMXLITTFO-IBGZPJMESA-N 1 2 450.591 1.705 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001507723363 1072791218 /nfs/dbraw/zinc/79/12/18/1072791218.db2.gz FVUJKHOXMBEEBZ-QGZVFWFLSA-N 1 2 474.512 1.837 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001507723721 1072791955 /nfs/dbraw/zinc/79/19/55/1072791955.db2.gz RWYXUQVNTKBKQF-ROUUACIJSA-N 1 2 457.579 1.384 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507724545 1072792499 /nfs/dbraw/zinc/79/24/99/1072792499.db2.gz RZZGKQZMLJFHBV-FQEVSTJZSA-N 1 2 477.535 1.672 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC001507724845 1072793101 /nfs/dbraw/zinc/79/31/01/1072793101.db2.gz XYIDUHMOAQOXNP-UHFFFAOYSA-N 1 2 473.581 1.534 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(SC)CCOCC2)CC1 ZINC001507726768 1072795043 /nfs/dbraw/zinc/79/50/43/1072795043.db2.gz LTDCWAASIHPXRI-UHFFFAOYSA-N 1 2 474.656 1.937 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001507726718 1072795371 /nfs/dbraw/zinc/79/53/71/1072795371.db2.gz KSTKTDUEFZXMDQ-LJQANCHMSA-N 1 2 476.375 1.790 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)N2CCOCC2)CC1 ZINC001507727385 1072795857 /nfs/dbraw/zinc/79/58/57/1072795857.db2.gz PEPYCPZCNNMJLK-UHFFFAOYSA-N 1 2 452.559 1.170 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001507727226 1072796141 /nfs/dbraw/zinc/79/61/41/1072796141.db2.gz OYDCTASVIHAERQ-UHFFFAOYSA-N 1 2 491.621 1.731 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001507727093 1072796398 /nfs/dbraw/zinc/79/63/98/1072796398.db2.gz NORDDFORTLDIHJ-UHFFFAOYSA-N 1 2 477.560 1.726 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001507728248 1072797314 /nfs/dbraw/zinc/79/73/14/1072797314.db2.gz WGNIVPUXWLKPCZ-UHFFFAOYSA-N 1 2 464.574 1.298 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(OC)c2OC)CC1 ZINC001507727906 1072797494 /nfs/dbraw/zinc/79/74/94/1072797494.db2.gz VIRSWQYBGZKLFG-UHFFFAOYSA-N 1 2 479.585 1.969 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C)S(=O)(=O)CC)CC1 ZINC001507728928 1072797534 /nfs/dbraw/zinc/79/75/34/1072797534.db2.gz XQNJGHVGKNOTPL-UHFFFAOYSA-N 1 2 465.649 1.061 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(CO)c2)CC1 ZINC001507729621 1072798104 /nfs/dbraw/zinc/79/81/04/1072798104.db2.gz IZJANJUHMYEFOI-QFIPXVFZSA-N 1 2 496.612 1.882 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)C(C)C)CC1 ZINC001507729660 1072798216 /nfs/dbraw/zinc/79/82/16/1072798216.db2.gz JMWUNJMFAHWODG-NTKDMRAZSA-N 1 2 476.622 1.749 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)C(C)C)CC1 ZINC001507729657 1072798291 /nfs/dbraw/zinc/79/82/91/1072798291.db2.gz JMWUNJMFAHWODG-DVECYGJZSA-N 1 2 476.622 1.749 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCC2)CC1 ZINC001507729060 1072798409 /nfs/dbraw/zinc/79/84/09/1072798409.db2.gz DEKKCHRZGLMSFP-LJQANCHMSA-N 1 2 474.606 1.647 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)c(OC)c2OC)CC1 ZINC001507732125 1072801208 /nfs/dbraw/zinc/80/12/08/1072801208.db2.gz CGGHOWNKELSLTR-UGKGYDQZSA-N 1 2 485.585 1.831 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2)CC1 ZINC001507732060 1072801231 /nfs/dbraw/zinc/80/12/31/1072801231.db2.gz BQYMXNCRUCJYRN-IBGZPJMESA-N 1 2 454.579 1.887 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)CC1 ZINC001507732087 1072801297 /nfs/dbraw/zinc/80/12/97/1072801297.db2.gz SOLXYWXFUDKNKE-SFHVURJKSA-N 1 2 469.594 1.325 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)CC1 ZINC001507732086 1072801371 /nfs/dbraw/zinc/80/13/71/1072801371.db2.gz SOLXYWXFUDKNKE-GOSISDBHSA-N 1 2 469.594 1.325 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001507732240 1072801399 /nfs/dbraw/zinc/80/13/99/1072801399.db2.gz KCNLSPZPOIFPCM-UHFFFAOYSA-N 1 2 452.559 1.203 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001507732420 1072801494 /nfs/dbraw/zinc/80/14/94/1072801494.db2.gz GZSDLKITHBSBGR-YBJWPOLQSA-N 1 2 474.606 1.344 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001507732418 1072801508 /nfs/dbraw/zinc/80/15/08/1072801508.db2.gz GZSDLKITHBSBGR-RGKFVRLKSA-N 1 2 474.606 1.344 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001507732373 1072801557 /nfs/dbraw/zinc/80/15/57/1072801557.db2.gz GKSYLUAIBSWVEI-ZCNNSNEGSA-N 1 2 482.576 1.113 20 30 JDEDLO C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001507732598 1072801833 /nfs/dbraw/zinc/80/18/33/1072801833.db2.gz QCIYRDDNIPAUOH-UHFFFAOYSA-N 1 2 456.566 1.862 20 30 JDEDLO C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001507732598 1072801834 /nfs/dbraw/zinc/80/18/34/1072801834.db2.gz QCIYRDDNIPAUOH-UHFFFAOYSA-N 1 2 456.566 1.862 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ncn(C)n2)CC1 ZINC001507732773 1072802061 /nfs/dbraw/zinc/80/20/61/1072802061.db2.gz XLZFRVHTWLQGFC-UHFFFAOYSA-N 1 2 469.594 1.325 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(OC)CCOC2)CC1 ZINC001507733033 1072802126 /nfs/dbraw/zinc/80/21/26/1072802126.db2.gz NDEBBPRNDSVNCJ-CYFREDJKSA-N 1 2 474.606 1.911 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC001507733052 1072802145 /nfs/dbraw/zinc/80/21/45/1072802145.db2.gz NMOLMRVVBRSTNY-URXFXBBRSA-N 1 2 496.612 1.273 20 30 JDEDLO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001507733367 1072802354 /nfs/dbraw/zinc/80/23/54/1072802354.db2.gz WROFKVLDMJLOSM-RTWAWAEBSA-N 1 2 487.649 1.826 20 30 JDEDLO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001507733367 1072802357 /nfs/dbraw/zinc/80/23/57/1072802357.db2.gz WROFKVLDMJLOSM-RTWAWAEBSA-N 1 2 487.649 1.826 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001507733940 1072803274 /nfs/dbraw/zinc/80/32/74/1072803274.db2.gz OKLJQTLWIYVVQY-UHFFFAOYSA-N 1 2 465.602 1.821 20 30 JDEDLO C=C(Br)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001507782362 1072832475 /nfs/dbraw/zinc/83/24/75/1072832475.db2.gz CBZGLUUUQCWMSM-UHFFFAOYSA-N 1 2 460.380 1.993 20 30 JDEDLO C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001507785411 1072833941 /nfs/dbraw/zinc/83/39/41/1072833941.db2.gz QNTNJCNPNHSQEV-SJORKVTESA-N 1 2 467.412 1.824 20 30 JDEDLO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC001507827991 1072844268 /nfs/dbraw/zinc/84/42/68/1072844268.db2.gz LSBXTKOEMDISDY-LJQANCHMSA-N 1 2 484.601 1.956 20 30 JDEDLO C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001507855684 1072851083 /nfs/dbraw/zinc/85/10/83/1072851083.db2.gz AKVFRKYZGXQSAD-UHFFFAOYSA-N 1 2 469.011 1.716 20 30 JDEDLO C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC001507881600 1072853231 /nfs/dbraw/zinc/85/32/31/1072853231.db2.gz OXISMUWYVVSBFS-OAQYLSRUSA-N 1 2 487.674 1.863 20 30 JDEDLO C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC(OCC)C2)CC1 ZINC001507896440 1072854471 /nfs/dbraw/zinc/85/44/71/1072854471.db2.gz JLRKWPQFMKLWKD-TWEIKEKHSA-N 1 2 496.678 1.561 20 30 JDEDLO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001507897548 1072854711 /nfs/dbraw/zinc/85/47/11/1072854711.db2.gz RRSNAJWBPJOURA-KRWDZBQOSA-N 1 2 475.619 1.571 20 30 JDEDLO C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001508071507 1072872601 /nfs/dbraw/zinc/87/26/01/1072872601.db2.gz KAGOJNXKWBKABF-UHFFFAOYSA-N 1 2 455.538 1.278 20 30 JDEDLO C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001508072057 1072873232 /nfs/dbraw/zinc/87/32/32/1072873232.db2.gz NQLLPYVFTFBXOG-UHFFFAOYSA-N 1 2 481.605 1.365 20 30 JDEDLO C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001508078979 1072878433 /nfs/dbraw/zinc/87/84/33/1072878433.db2.gz LZSRXAFSBSYMPI-QHCPKHFHSA-N 1 2 492.628 1.350 20 30 JDEDLO C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001508081309 1072880567 /nfs/dbraw/zinc/88/05/67/1072880567.db2.gz JFXPQBNPAZBOSQ-UHFFFAOYSA-N 1 2 471.993 1.645 20 30 JDEDLO C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001508093566 1072888921 /nfs/dbraw/zinc/88/89/21/1072888921.db2.gz IWTWENLJCLUFDC-UHFFFAOYSA-N 1 2 463.542 1.890 20 30 JDEDLO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508093900 1072889575 /nfs/dbraw/zinc/88/95/75/1072889575.db2.gz KYXWPJZRQXKEQC-IBGZPJMESA-N 1 2 499.591 1.431 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001508273673 1073041476 /nfs/dbraw/zinc/04/14/76/1073041476.db2.gz MRVWDDRZGYGYLP-NRFANRHFSA-N 1 2 453.547 1.058 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001508275862 1073046770 /nfs/dbraw/zinc/04/67/70/1073046770.db2.gz XJZJLGOPOBELOX-SFHVURJKSA-N 1 2 453.547 1.118 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 ZINC001508276406 1073048657 /nfs/dbraw/zinc/04/86/57/1073048657.db2.gz MAQSMRXAHDFTKD-UHFFFAOYSA-N 1 2 451.579 1.159 20 30 JDEDLO C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001508405170 1073214737 /nfs/dbraw/zinc/21/47/37/1073214737.db2.gz CSPURIZZXZUYHC-LJQANCHMSA-N 1 2 451.575 1.990 20 30 JDEDLO C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001508405160 1073214811 /nfs/dbraw/zinc/21/48/11/1073214811.db2.gz CSPURIZZXZUYHC-IBGZPJMESA-N 1 2 451.575 1.990 20 30 JDEDLO C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@H]1C ZINC001508415354 1073219833 /nfs/dbraw/zinc/21/98/33/1073219833.db2.gz BBNIQOQLQLLZJB-IAGOWNOFSA-N 1 2 450.547 1.509 20 30 JDEDLO C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@H]1C ZINC001508415354 1073219836 /nfs/dbraw/zinc/21/98/36/1073219836.db2.gz BBNIQOQLQLLZJB-IAGOWNOFSA-N 1 2 450.547 1.509 20 30 JDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4nc3[C@@H](C#N)C(=O)OC)CC2)C1=O ZINC001164644318 719280136 /nfs/dbraw/zinc/28/01/36/719280136.db2.gz ICQGYIHHGAIIAZ-QGZVFWFLSA-N 1 2 466.542 1.169 20 30 JDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4nc3[C@@H](C#N)C(=O)OC)CC2)C1=O ZINC001164644318 719280138 /nfs/dbraw/zinc/28/01/38/719280138.db2.gz ICQGYIHHGAIIAZ-QGZVFWFLSA-N 1 2 466.542 1.169 20 30 JDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)CC2)C1=O ZINC001164644498 719283021 /nfs/dbraw/zinc/28/30/21/719283021.db2.gz MEIRYWKXAKBLMJ-KRWDZBQOSA-N 1 2 458.563 1.185 20 30 JDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)CC2)C1=O ZINC001164644498 719283022 /nfs/dbraw/zinc/28/30/22/719283022.db2.gz MEIRYWKXAKBLMJ-KRWDZBQOSA-N 1 2 458.563 1.185 20 30 JDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC001164707454 719874422 /nfs/dbraw/zinc/87/44/22/719874422.db2.gz STGFQEUWIDJIDS-QZMQVMSPSA-N 1 2 459.547 1.658 20 30 JDEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164702924 720048731 /nfs/dbraw/zinc/04/87/31/720048731.db2.gz HTMMOIVXXLWMFT-UHFFFAOYSA-N 1 2 471.949 1.467 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C#C[Si](C)(C)C)c3C(=O)OC)C2)C1 ZINC001164721208 720267479 /nfs/dbraw/zinc/26/74/79/720267479.db2.gz HSASSZVZCFFEEZ-XMMPIXPASA-N 1 2 472.662 1.762 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C#C[Si](C)(C)C)c3C(=O)OC)C2)C1 ZINC001164721208 720267491 /nfs/dbraw/zinc/26/74/91/720267491.db2.gz HSASSZVZCFFEEZ-XMMPIXPASA-N 1 2 472.662 1.762 20 30 JDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C#N)c(C#N)nc4Cl)CC3)C2=O)cs1 ZINC001164819971 720369362 /nfs/dbraw/zinc/36/93/62/720369362.db2.gz KBQLXDKJFMOXRW-UHFFFAOYSA-N 1 2 456.963 1.951 20 30 JDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C#N)c(C#N)nc4Cl)CC3)C2=O)cs1 ZINC001164819971 720369371 /nfs/dbraw/zinc/36/93/71/720369371.db2.gz KBQLXDKJFMOXRW-UHFFFAOYSA-N 1 2 456.963 1.951 20 30 JDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)C2 ZINC001164832624 720476147 /nfs/dbraw/zinc/47/61/47/720476147.db2.gz KJAWIPFCXTWVMS-OALUTQOASA-N 1 2 497.600 1.612 20 30 JDEDLO CCOC(=O)c1cc(C)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C#N ZINC001164912880 721776133 /nfs/dbraw/zinc/77/61/33/721776133.db2.gz RDSLYKMYTPIFSQ-XMMPIXPASA-N 1 2 451.527 1.941 20 30 JDEDLO CCOC(=O)c1cc(C)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C#N ZINC001164912880 721776135 /nfs/dbraw/zinc/77/61/35/721776135.db2.gz RDSLYKMYTPIFSQ-XMMPIXPASA-N 1 2 451.527 1.941 20 30 JDEDLO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915005 721794429 /nfs/dbraw/zinc/79/44/29/721794429.db2.gz SWPKZYYDTNYUID-RXFWQSSRSA-N 1 2 488.548 1.913 20 30 JDEDLO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915005 721794431 /nfs/dbraw/zinc/79/44/31/721794431.db2.gz SWPKZYYDTNYUID-RXFWQSSRSA-N 1 2 488.548 1.913 20 30 JDEDLO N#CCCc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC001474945101 1069315455 /nfs/dbraw/zinc/31/54/55/1069315455.db2.gz QSMDNCULFNFZPB-LJQANCHMSA-N 1 2 456.572 1.717 20 30 JDEDLO N#CCCc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC001474945101 1069315474 /nfs/dbraw/zinc/31/54/74/1069315474.db2.gz QSMDNCULFNFZPB-LJQANCHMSA-N 1 2 456.572 1.717 20 30 JDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 ZINC001501781047 1069666024 /nfs/dbraw/zinc/66/60/24/1069666024.db2.gz UQYLNWGBTPLGPQ-VWLOTQADSA-N 1 2 481.601 1.613 20 30 JDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001501780593 1069666175 /nfs/dbraw/zinc/66/61/75/1069666175.db2.gz NRNTYBZPMHYHRN-XZOQPEGZSA-N 1 2 495.628 1.859 20 30 JDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001501781098 1069667827 /nfs/dbraw/zinc/66/78/27/1069667827.db2.gz WQQJMFPFXAQXBM-UHFFFAOYSA-N 1 2 494.644 1.969 20 30 JDEDLO N#Cc1nc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Br ZINC001476945517 1069789969 /nfs/dbraw/zinc/78/99/69/1069789969.db2.gz BCDITNASFFOZSO-UHFFFAOYSA-N 1 2 458.320 1.971 20 30 JDEDLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502264328 1069970716 /nfs/dbraw/zinc/97/07/16/1069970716.db2.gz XWKMFGSDIGFAKD-STSQHVNTSA-N 1 2 488.614 1.197 20 30 JDEDLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502264328 1069970743 /nfs/dbraw/zinc/97/07/43/1069970743.db2.gz XWKMFGSDIGFAKD-STSQHVNTSA-N 1 2 488.614 1.197 20 30 JDEDLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502264325 1069971005 /nfs/dbraw/zinc/97/10/05/1069971005.db2.gz XWKMFGSDIGFAKD-BSRJHKFKSA-N 1 2 488.614 1.197 20 30 JDEDLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502264325 1069971020 /nfs/dbraw/zinc/97/10/20/1069971020.db2.gz XWKMFGSDIGFAKD-BSRJHKFKSA-N 1 2 488.614 1.197 20 30 JDEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502315246 1070099038 /nfs/dbraw/zinc/09/90/38/1070099038.db2.gz JTXLBABDJCAEAN-LJQANCHMSA-N 1 2 480.617 1.456 20 30 JDEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502315596 1070102030 /nfs/dbraw/zinc/10/20/30/1070102030.db2.gz QZBAYWOJKZGWJT-HXUWFJFHSA-N 1 2 496.616 1.643 20 30 JDEDLO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001502424377 1070367575 /nfs/dbraw/zinc/36/75/75/1070367575.db2.gz ICCUGLYOSLCVEV-UHFFFAOYSA-N 1 2 460.542 1.527 20 30 JDEDLO C[C@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494126646 1070411030 /nfs/dbraw/zinc/41/10/30/1070411030.db2.gz CHJGMHYESWDQSW-BRWVUGGUSA-N 1 2 476.607 1.295 20 30 JDEDLO COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504041127 1070800900 /nfs/dbraw/zinc/80/09/00/1070800900.db2.gz CYTLTSSPCRYOHL-UHFFFAOYSA-N 1 2 453.547 1.118 20 30 JDEDLO CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001495725464 1070817896 /nfs/dbraw/zinc/81/78/96/1070817896.db2.gz XNNNVFVRAROPNJ-MSOLQXFVSA-N 1 2 455.611 1.753 20 30 JDEDLO CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503065332 1071020695 /nfs/dbraw/zinc/02/06/95/1071020695.db2.gz DSHANEPWJJWIEP-UHFFFAOYSA-N 1 2 481.601 1.898 20 30 JDEDLO CCOCc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCCN1CC[NH+](CC)CC1 ZINC001503069593 1071025834 /nfs/dbraw/zinc/02/58/34/1071025834.db2.gz VZALGPFHQRQRIR-UHFFFAOYSA-N 1 2 454.579 1.377 20 30 JDEDLO CCOCc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001503069593 1071025840 /nfs/dbraw/zinc/02/58/40/1071025840.db2.gz VZALGPFHQRQRIR-UHFFFAOYSA-N 1 2 454.579 1.377 20 30 JDEDLO COc1cc[nH+]cc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001504455565 1071230406 /nfs/dbraw/zinc/23/04/06/1071230406.db2.gz CSSQIKJYBSAVAI-LJQANCHMSA-N 1 2 468.539 1.804 20 30 JDEDLO CN(C)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)c[nH+]1 ZINC001503394409 1071653872 /nfs/dbraw/zinc/65/38/72/1071653872.db2.gz RSAMHNALNQHBQW-UHFFFAOYSA-N 1 2 469.571 1.719 20 30 JDEDLO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504874593 1071806280 /nfs/dbraw/zinc/80/62/80/1071806280.db2.gz UZUDSUYAZTWBND-WIYYLYMNSA-N 1 2 467.574 1.475 20 30 JDEDLO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504874593 1071806281 /nfs/dbraw/zinc/80/62/81/1071806281.db2.gz UZUDSUYAZTWBND-WIYYLYMNSA-N 1 2 467.574 1.475 20 30 JDEDLO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504874592 1071806366 /nfs/dbraw/zinc/80/63/66/1071806366.db2.gz UZUDSUYAZTWBND-RXVVDRJESA-N 1 2 467.574 1.475 20 30 JDEDLO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504874592 1071806368 /nfs/dbraw/zinc/80/63/68/1071806368.db2.gz UZUDSUYAZTWBND-RXVVDRJESA-N 1 2 467.574 1.475 20 30 JDEDLO COCCN(CCC#N)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504886304 1071810209 /nfs/dbraw/zinc/81/02/09/1071810209.db2.gz GMHKOMQOYMNIPJ-QGZVFWFLSA-N 1 2 466.546 1.681 20 30 JDEDLO COCCN(CCC#N)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H](C)[NH+]1CCOCC1 ZINC001504886301 1071810239 /nfs/dbraw/zinc/81/02/39/1071810239.db2.gz GMHKOMQOYMNIPJ-KRWDZBQOSA-N 1 2 466.546 1.681 20 30 JDEDLO C[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 ZINC001503611217 1071895418 /nfs/dbraw/zinc/89/54/18/1071895418.db2.gz MYICNSKIWLOERM-IEBWSBKVSA-N 1 2 462.551 1.180 20 30 JDEDLO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 ZINC001503611217 1071895424 /nfs/dbraw/zinc/89/54/24/1071895424.db2.gz MYICNSKIWLOERM-IEBWSBKVSA-N 1 2 462.551 1.180 20 30 JDEDLO C[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 ZINC001503611222 1071895440 /nfs/dbraw/zinc/89/54/40/1071895440.db2.gz MYICNSKIWLOERM-MJGOQNOKSA-N 1 2 462.551 1.180 20 30 JDEDLO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 ZINC001503611222 1071895441 /nfs/dbraw/zinc/89/54/41/1071895441.db2.gz MYICNSKIWLOERM-MJGOQNOKSA-N 1 2 462.551 1.180 20 30 JDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 ZINC001464851191 1067675980 /nfs/dbraw/zinc/67/59/80/1067675980.db2.gz WPAJKEKKUFGAKX-UHFFFAOYSA-N 1 2 450.461 1.730 20 30 JDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 ZINC001464851191 1067675984 /nfs/dbraw/zinc/67/59/84/1067675984.db2.gz WPAJKEKKUFGAKX-UHFFFAOYSA-N 1 2 450.461 1.730 20 30 JDEDLO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001465307745 1067777124 /nfs/dbraw/zinc/77/71/24/1067777124.db2.gz KSUFCSFORMXNDY-IBGZPJMESA-N 1 2 456.568 1.175 20 30 JDEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 ZINC001466738338 1067911614 /nfs/dbraw/zinc/91/16/14/1067911614.db2.gz XVAJFGAVPREJSN-NVXWUHKLSA-N 1 2 451.568 1.851 20 30 JDEDLO CCOC1CC(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)([NH+]2CCOCC2)C1 ZINC001469729405 1068574674 /nfs/dbraw/zinc/57/46/74/1068574674.db2.gz MAKDNJLZSWKMHI-SFUYWUKASA-N 1 2 451.568 1.315 20 30 JDEDLO Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3C[N@H+](Cc4ccc(C)cc4)CCO3)CC2)c1C#N ZINC001471109805 1068836613 /nfs/dbraw/zinc/83/66/13/1068836613.db2.gz IEUDKBUJKGFKOQ-OAQYLSRUSA-N 1 2 451.575 1.641 20 30 JDEDLO Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccc(C)cc4)CCO3)CC2)c1C#N ZINC001471109805 1068836616 /nfs/dbraw/zinc/83/66/16/1068836616.db2.gz IEUDKBUJKGFKOQ-OAQYLSRUSA-N 1 2 451.575 1.641 20 30 JDEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001471979013 1068936279 /nfs/dbraw/zinc/93/62/79/1068936279.db2.gz SSTFFFUTKVGBNC-UHFFFAOYSA-N 1 2 453.337 1.379 20 30 JDEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001471979013 1068936293 /nfs/dbraw/zinc/93/62/93/1068936293.db2.gz SSTFFFUTKVGBNC-UHFFFAOYSA-N 1 2 453.337 1.379 20 30 JDEDLO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001499329146 1068984936 /nfs/dbraw/zinc/98/49/36/1068984936.db2.gz NXLBRNGORXBIIW-FXAWDEMLSA-N 1 2 453.547 1.164 20 30 JDEDLO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC[N@@H+]1CCOC ZINC001499697919 1069045286 /nfs/dbraw/zinc/04/52/86/1069045286.db2.gz WRHDORIMGDGGTG-FQEVSTJZSA-N 1 2 472.615 1.941 20 30 JDEDLO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC[N@H+]1CCOC ZINC001499697919 1069045294 /nfs/dbraw/zinc/04/52/94/1069045294.db2.gz WRHDORIMGDGGTG-FQEVSTJZSA-N 1 2 472.615 1.941 20 30 JDEDLO C=CC[N@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001473233317 1069102095 /nfs/dbraw/zinc/10/20/95/1069102095.db2.gz JLKJJDIRLZDXQV-GOSISDBHSA-N 1 2 455.602 1.475 20 30 JDEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001473233317 1069102111 /nfs/dbraw/zinc/10/21/11/1069102111.db2.gz JLKJJDIRLZDXQV-GOSISDBHSA-N 1 2 455.602 1.475 20 30 JDEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1C#N ZINC001473350079 1069129059 /nfs/dbraw/zinc/12/90/59/1069129059.db2.gz BTBXDVNYMYBNGH-UHFFFAOYSA-N 1 2 452.490 1.777 20 30 JDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC001473779566 1069222840 /nfs/dbraw/zinc/22/28/40/1069222840.db2.gz QNTQWAVICUNWPG-SLYNCCJLSA-N 1 2 450.543 1.814 20 30 JDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC001473779566 1069222856 /nfs/dbraw/zinc/22/28/56/1069222856.db2.gz QNTQWAVICUNWPG-SLYNCCJLSA-N 1 2 450.543 1.814 20 30 JDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001507537495 1072599882 /nfs/dbraw/zinc/59/98/82/1072599882.db2.gz IKPVNVAQXNUWMY-OXQOHEQNSA-N 1 2 487.561 1.442 20 30 JDEDLO C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001507554131 1072616578 /nfs/dbraw/zinc/61/65/78/1072616578.db2.gz LSSSLYPGXIZVQO-FQEVSTJZSA-N 1 2 478.601 1.862 20 30 JDEDLO C#CCCCn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001507598673 1072636782 /nfs/dbraw/zinc/63/67/82/1072636782.db2.gz GXRBBDKHEOBZIL-OFVILXPXSA-N 1 2 472.634 1.865 20 30 JDEDLO C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001507601954 1072637639 /nfs/dbraw/zinc/63/76/39/1072637639.db2.gz WQZUPZNXRBGCSO-UYAOXDASSA-N 1 2 460.604 1.340 20 30 JDEDLO C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001507615811 1072639558 /nfs/dbraw/zinc/63/95/58/1072639558.db2.gz BNBFHZBOQKZQEV-FQEVSTJZSA-N 1 2 456.616 1.462 20 30 JDEDLO C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(CC)CC)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001507630625 1072681213 /nfs/dbraw/zinc/68/12/13/1072681213.db2.gz DKMMXMRGDDVZNF-HXUWFJFHSA-N 1 2 482.614 1.595 20 30 JDEDLO C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001507633006 1072700048 /nfs/dbraw/zinc/70/00/48/1072700048.db2.gz RCSVRSWIPPXIDQ-NJDAHSKKSA-N 1 2 479.647 1.156 20 30 JDEDLO C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001507633006 1072700062 /nfs/dbraw/zinc/70/00/62/1072700062.db2.gz RCSVRSWIPPXIDQ-NJDAHSKKSA-N 1 2 479.647 1.156 20 30 JDEDLO C#CCN(c1nnc([C@H]2CCCOC2)n1CCCNc1cccc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001507634577 1072708822 /nfs/dbraw/zinc/70/88/22/1072708822.db2.gz ZEOSOALLASQWCB-OALUTQOASA-N 1 2 458.588 1.696 20 30 JDEDLO C#CCN(c1nnc(COCC)n1C[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507638752 1072723497 /nfs/dbraw/zinc/72/34/97/1072723497.db2.gz SMZSWWUFPHYKTP-RTBURBONSA-N 1 2 461.588 1.871 20 30 JDEDLO C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507640773 1072733247 /nfs/dbraw/zinc/73/32/47/1072733247.db2.gz VYTFSDBCFUYUCK-FQEVSTJZSA-N 1 2 457.604 1.028 20 30 JDEDLO C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507640773 1072733269 /nfs/dbraw/zinc/73/32/69/1072733269.db2.gz VYTFSDBCFUYUCK-FQEVSTJZSA-N 1 2 457.604 1.028 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507643181 1072737367 /nfs/dbraw/zinc/73/73/67/1072737367.db2.gz RQQIUYDGSJPDFZ-IBGZPJMESA-N 1 2 452.534 1.794 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001507653959 1072746345 /nfs/dbraw/zinc/74/63/45/1072746345.db2.gz UELKLFTYXBUKTE-HXUWFJFHSA-N 1 2 484.601 1.524 20 30 JDEDLO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507656143 1072747829 /nfs/dbraw/zinc/74/78/29/1072747829.db2.gz DNFKYGDHNCTIBE-GOSISDBHSA-N 1 2 489.609 1.843 20 30 JDEDLO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507656143 1072747837 /nfs/dbraw/zinc/74/78/37/1072747837.db2.gz DNFKYGDHNCTIBE-GOSISDBHSA-N 1 2 489.609 1.843 20 30 JDEDLO C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001507657344 1072748221 /nfs/dbraw/zinc/74/82/21/1072748221.db2.gz PUWMJFWPDJFJAG-QHCPKHFHSA-N 1 2 460.582 1.855 20 30 JDEDLO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507659056 1072748959 /nfs/dbraw/zinc/74/89/59/1072748959.db2.gz UJCHIJMAJXSIHJ-LJQANCHMSA-N 1 2 484.568 1.889 20 30 JDEDLO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507659056 1072748968 /nfs/dbraw/zinc/74/89/68/1072748968.db2.gz UJCHIJMAJXSIHJ-LJQANCHMSA-N 1 2 484.568 1.889 20 30 JDEDLO C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001507672663 1072757878 /nfs/dbraw/zinc/75/78/78/1072757878.db2.gz HGERPUXQNKCWQA-UHFFFAOYSA-N 1 2 458.570 1.883 20 30 JDEDLO C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001507679848 1072759036 /nfs/dbraw/zinc/75/90/36/1072759036.db2.gz RWHPPFVSZMWQPW-AZUAARDMSA-N 1 2 460.604 1.249 20 30 JDEDLO C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001507679848 1072759049 /nfs/dbraw/zinc/75/90/49/1072759049.db2.gz RWHPPFVSZMWQPW-AZUAARDMSA-N 1 2 460.604 1.249 20 30 JDEDLO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001507690856 1072762468 /nfs/dbraw/zinc/76/24/68/1072762468.db2.gz YBWJKWUSRNNJFA-UXHICEINSA-N 1 2 451.637 1.777 20 30 JDEDLO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001507690826 1072762532 /nfs/dbraw/zinc/76/25/32/1072762532.db2.gz XTPFRMRPPHNBKK-LEWJYISDSA-N 1 2 470.643 1.850 20 30 JDEDLO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001507690854 1072762625 /nfs/dbraw/zinc/76/26/25/1072762625.db2.gz YBWJKWUSRNNJFA-PMACEKPBSA-N 1 2 451.637 1.777 20 30 JDEDLO C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001507691505 1072763234 /nfs/dbraw/zinc/76/32/34/1072763234.db2.gz IUBUBAZRTWJXLJ-RBUKOAKNSA-N 1 2 462.595 1.767 20 30 JDEDLO C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507702840 1072765660 /nfs/dbraw/zinc/76/56/60/1072765660.db2.gz MRMDPUZOIILEMG-GOSISDBHSA-N 1 2 467.578 1.101 20 30 JDEDLO C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507702840 1072765672 /nfs/dbraw/zinc/76/56/72/1072765672.db2.gz MRMDPUZOIILEMG-GOSISDBHSA-N 1 2 467.578 1.101 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001507715634 1072773534 /nfs/dbraw/zinc/77/35/34/1072773534.db2.gz FMMBFJZCNDMFPV-LJQANCHMSA-N 1 2 458.950 1.032 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCCC2)CC1 ZINC001507716220 1072774883 /nfs/dbraw/zinc/77/48/83/1072774883.db2.gz OOLALFSCWJEUIP-UHFFFAOYSA-N 1 2 456.978 1.922 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2conc2COC)CC1 ZINC001507716266 1072774998 /nfs/dbraw/zinc/77/49/98/1072774998.db2.gz PIHIIRBPCLYYDP-UHFFFAOYSA-N 1 2 483.960 1.799 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001507716660 1072776292 /nfs/dbraw/zinc/77/62/92/1072776292.db2.gz SNADGWWXMRWCNH-RBUKOAKNSA-N 1 2 473.622 1.817 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccnc2OCCC)CC1 ZINC001507718059 1072778444 /nfs/dbraw/zinc/77/84/44/1072778444.db2.gz AGXSWOVBARWYDW-DEOSSOPVSA-N 1 2 454.575 1.918 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCOC[C@H]2OC)CC1 ZINC001507717991 1072778510 /nfs/dbraw/zinc/77/85/10/1072778510.db2.gz KFEVKEPYUQLCEB-VQIMIIECSA-N 1 2 477.407 1.853 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001507718330 1072779111 /nfs/dbraw/zinc/77/91/11/1072779111.db2.gz OUDYYBLRMFLZTJ-HSZRJFAPSA-N 1 2 469.567 1.605 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001507718825 1072780458 /nfs/dbraw/zinc/78/04/58/1072780458.db2.gz SXCADZKXVJGCDK-DVECYGJZSA-N 1 2 486.642 1.502 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001507718831 1072780476 /nfs/dbraw/zinc/78/04/76/1072780476.db2.gz SXCADZKXVJGCDK-NTKDMRAZSA-N 1 2 486.642 1.502 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001507718985 1072781236 /nfs/dbraw/zinc/78/12/36/1072781236.db2.gz JCIDKFXJLBSYEX-OAQYLSRUSA-N 1 2 468.602 1.642 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCCCC2=O)CC1 ZINC001507720101 1072783146 /nfs/dbraw/zinc/78/31/46/1072783146.db2.gz GYIJKULWNLFXMZ-UHFFFAOYSA-N 1 2 498.653 1.897 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001507720189 1072784164 /nfs/dbraw/zinc/78/41/64/1072784164.db2.gz DVKIXPQHPNGLNG-FQEVSTJZSA-N 1 2 452.559 1.632 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001507720190 1072784186 /nfs/dbraw/zinc/78/41/86/1072784186.db2.gz DVKIXPQHPNGLNG-HXUWFJFHSA-N 1 2 452.559 1.632 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001507720505 1072784207 /nfs/dbraw/zinc/78/42/07/1072784207.db2.gz DZDKXHGQPYAJJW-GOSISDBHSA-N 1 2 470.549 1.595 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001507720508 1072784244 /nfs/dbraw/zinc/78/42/44/1072784244.db2.gz DZDKXHGQPYAJJW-SFHVURJKSA-N 1 2 470.549 1.595 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001507721118 1072784570 /nfs/dbraw/zinc/78/45/70/1072784570.db2.gz OMFKRHLAPODWDZ-UHFFFAOYSA-N 1 2 458.544 1.433 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNS(=O)(=O)CC)CC1 ZINC001507720918 1072784910 /nfs/dbraw/zinc/78/49/10/1072784910.db2.gz JZHRTMADHWRXAT-UHFFFAOYSA-N 1 2 451.984 1.078 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CCOCC2)CC1 ZINC001507721758 1072786738 /nfs/dbraw/zinc/78/67/38/1072786738.db2.gz MBOFLRWDGJUYGC-FQEVSTJZSA-N 1 2 486.642 1.392 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC(c3ccccc3)C2)CC1 ZINC001507721656 1072786943 /nfs/dbraw/zinc/78/69/43/1072786943.db2.gz KSDSAJFOKJMWHX-LWEYNCJUSA-N 1 2 456.616 1.837 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001507722109 1072787694 /nfs/dbraw/zinc/78/76/94/1072787694.db2.gz ZQGVPTUDNBGYLY-UHFFFAOYSA-N 1 2 476.603 1.045 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(Cl)c2)CC1 ZINC001507722418 1072789141 /nfs/dbraw/zinc/78/91/41/1072789141.db2.gz WIOBERKCNPXQPA-OAHLLOKOSA-N 1 2 466.995 1.354 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC)Oc2ccccc2F)CC1 ZINC001507722372 1072789291 /nfs/dbraw/zinc/78/92/91/1072789291.db2.gz VLXXVWVZCCVXTN-ROUUACIJSA-N 1 2 478.594 1.640 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001507722445 1072789546 /nfs/dbraw/zinc/78/95/46/1072789546.db2.gz XKYMCBLBLUVQBW-ROUUACIJSA-N 1 2 497.666 1.193 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001507722699 1072790186 /nfs/dbraw/zinc/79/01/86/1072790186.db2.gz FVSXRSWJPVRMHN-AVRDEDQJSA-N 1 2 455.559 1.769 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCNC(=O)C2CC2)CC1 ZINC001507723055 1072790375 /nfs/dbraw/zinc/79/03/75/1072790375.db2.gz SIMXRKDTNXETFM-UHFFFAOYSA-N 1 2 457.376 1.989 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC001507723452 1072790801 /nfs/dbraw/zinc/79/08/01/1072790801.db2.gz JARFPAQHSLSBGR-QGZVFWFLSA-N 1 2 458.950 1.703 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001507723318 1072790876 /nfs/dbraw/zinc/79/08/76/1072790876.db2.gz DAHNTLMXLITTFO-LJQANCHMSA-N 1 2 450.591 1.705 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC001507723451 1072790908 /nfs/dbraw/zinc/79/09/08/1072790908.db2.gz JARFPAQHSLSBGR-KRWDZBQOSA-N 1 2 458.950 1.703 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc43)n2CCCCCO)CC1 ZINC001507723369 1072791194 /nfs/dbraw/zinc/79/11/94/1072791194.db2.gz FYUSIOBSGYLXJE-UHFFFAOYSA-N 1 2 463.586 1.983 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCSCCCO)CC1 ZINC001507723568 1072791236 /nfs/dbraw/zinc/79/12/36/1072791236.db2.gz NAWUTBCMYMPGKX-UHFFFAOYSA-N 1 2 453.572 1.465 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001507723722 1072792107 /nfs/dbraw/zinc/79/21/07/1072792107.db2.gz RWYXUQVNTKBKQF-ZWKOTPCHSA-N 1 2 457.579 1.384 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507724593 1072792454 /nfs/dbraw/zinc/79/24/54/1072792454.db2.gz TWQAFSBVTOJAAN-HXUWFJFHSA-N 1 2 477.535 1.672 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001507724002 1072792646 /nfs/dbraw/zinc/79/26/46/1072792646.db2.gz CPICKRLRBYVRIZ-SFHVURJKSA-N 1 2 460.579 1.045 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001507724484 1072792756 /nfs/dbraw/zinc/79/27/56/1072792756.db2.gz FWPXYGBJZDMDLB-UHFFFAOYSA-N 1 2 450.568 1.688 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCS2(=O)=O)CC1 ZINC001507725738 1072793878 /nfs/dbraw/zinc/79/38/78/1072793878.db2.gz ADRDATCZTBKRCN-UHFFFAOYSA-N 1 2 472.615 1.265 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001507725881 1072793939 /nfs/dbraw/zinc/79/39/39/1072793939.db2.gz BUZYFCHEVALMKP-HXUWFJFHSA-N 1 2 472.615 1.202 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2COCCO2)CC1 ZINC001507726716 1072794951 /nfs/dbraw/zinc/79/49/51/1072794951.db2.gz KSTKTDUEFZXMDQ-IBGZPJMESA-N 1 2 476.375 1.790 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001507727069 1072795191 /nfs/dbraw/zinc/79/51/91/1072795191.db2.gz NKHIWVFRUYMYCR-UHFFFAOYSA-N 1 2 460.586 1.554 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC001507726194 1072795240 /nfs/dbraw/zinc/79/52/40/1072795240.db2.gz HQSKNFPELQXQLG-UHFFFAOYSA-N 1 2 479.585 1.969 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001507727737 1072796364 /nfs/dbraw/zinc/79/63/64/1072796364.db2.gz SUJLOYROHDMHEZ-UHFFFAOYSA-N 1 2 461.570 1.742 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCCc2ccccc2)CC1 ZINC001507728043 1072797094 /nfs/dbraw/zinc/79/70/94/1072797094.db2.gz VSHJMDGQPAREKW-UHFFFAOYSA-N 1 2 460.586 1.254 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC001507727927 1072797454 /nfs/dbraw/zinc/79/74/54/1072797454.db2.gz OKCZHESWYJITJG-UHFFFAOYSA-N 1 2 493.637 1.904 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2=CCCCC2)CC1 ZINC001507729122 1072798442 /nfs/dbraw/zinc/79/84/42/1072798442.db2.gz DZAOPUPBGXVWEU-FQEVSTJZSA-N 1 2 462.620 1.257 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)cc(C)c2)CC1 ZINC001507729543 1072798525 /nfs/dbraw/zinc/79/85/25/1072798525.db2.gz IBFCXYVSUBDPNT-QFIPXVFZSA-N 1 2 486.642 1.226 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(=O)NC)CC1 ZINC001507730868 1072799146 /nfs/dbraw/zinc/79/91/46/1072799146.db2.gz XAXBGNDFMVUZBX-SFHVURJKSA-N 1 2 489.621 1.114 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)COCCO2)CC1 ZINC001507730884 1072799530 /nfs/dbraw/zinc/79/95/30/1072799530.db2.gz XMAGFUNBOBOIIR-YADARESESA-N 1 2 490.605 1.147 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001507731493 1072800355 /nfs/dbraw/zinc/80/03/55/1072800355.db2.gz JZJPGEYXPMJBIW-UHFFFAOYSA-N 1 2 495.632 1.732 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC=C)CC1 ZINC001507731658 1072800672 /nfs/dbraw/zinc/80/06/72/1072800672.db2.gz NZBXXQIZYZWLAN-IBGZPJMESA-N 1 2 471.606 1.450 20 30 JDEDLO C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001507731686 1072800703 /nfs/dbraw/zinc/80/07/03/1072800703.db2.gz AOTNLZOUPNXHOW-OAQYLSRUSA-N 1 2 468.602 1.732 20 30 JDEDLO C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001507731686 1072800705 /nfs/dbraw/zinc/80/07/05/1072800705.db2.gz AOTNLZOUPNXHOW-OAQYLSRUSA-N 1 2 468.602 1.732 20 30 JDEDLO C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001507731682 1072800769 /nfs/dbraw/zinc/80/07/69/1072800769.db2.gz AOTNLZOUPNXHOW-NRFANRHFSA-N 1 2 468.602 1.732 20 30 JDEDLO C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001507731682 1072800772 /nfs/dbraw/zinc/80/07/72/1072800772.db2.gz AOTNLZOUPNXHOW-NRFANRHFSA-N 1 2 468.602 1.732 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001507732337 1072801350 /nfs/dbraw/zinc/80/13/50/1072801350.db2.gz GGLSTYCYXHDBCT-SFHVURJKSA-N 1 2 488.017 1.967 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001507732415 1072801536 /nfs/dbraw/zinc/80/15/36/1072801536.db2.gz MIYJCQCBXJWUOQ-OCOZRVBESA-N 1 2 489.580 1.756 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2CCCN2CCOC2=O)CC1 ZINC001507732448 1072801581 /nfs/dbraw/zinc/80/15/81/1072801581.db2.gz NGHWBJXKOCKDLO-UHFFFAOYSA-N 1 2 454.531 1.463 20 30 JDEDLO C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001507732445 1072801598 /nfs/dbraw/zinc/80/15/98/1072801598.db2.gz VNLYIJHTNOFFNA-VQTJNVASSA-N 1 2 474.631 1.612 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001507732354 1072801660 /nfs/dbraw/zinc/80/16/60/1072801660.db2.gz LMVMNRJLPFIBJB-LJQANCHMSA-N 1 2 493.033 1.690 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCNS(C)(=O)=O)CC1 ZINC001507732655 1072801953 /nfs/dbraw/zinc/80/19/53/1072801953.db2.gz RGWYKRWKRXTYAZ-UHFFFAOYSA-N 1 2 487.413 1.468 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001507732817 1072802188 /nfs/dbraw/zinc/80/21/88/1072802188.db2.gz TTWOYLWVOHYQTH-VQTJNVASSA-N 1 2 455.559 1.551 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2conc2COC)CC1 ZINC001507733290 1072802338 /nfs/dbraw/zinc/80/23/38/1072802338.db2.gz SRPTXDATMFOFJE-IZAXUBKRSA-N 1 2 485.589 1.987 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)CC1 ZINC001507733177 1072802344 /nfs/dbraw/zinc/80/23/44/1072802344.db2.gz ZCYAWEXLFXJCFJ-UHFFFAOYSA-N 1 2 466.995 1.205 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCc2cnn(C)n2)CC1 ZINC001507733174 1072802417 /nfs/dbraw/zinc/80/24/17/1072802417.db2.gz ZBEGUDCVDHBKOQ-UHFFFAOYSA-N 1 2 450.547 1.382 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)NC(C)C)CC1 ZINC001507733067 1072802433 /nfs/dbraw/zinc/80/24/33/1072802433.db2.gz NUAPNMSYZSXURQ-SFHVURJKSA-N 1 2 459.595 1.630 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001507740200 1072815423 /nfs/dbraw/zinc/81/54/23/1072815423.db2.gz JYXLKJFWJMSSNC-OAQYLSRUSA-N 1 2 480.613 1.586 20 30 JDEDLO C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001507740200 1072815426 /nfs/dbraw/zinc/81/54/26/1072815426.db2.gz JYXLKJFWJMSSNC-OAQYLSRUSA-N 1 2 480.613 1.586 20 30 JDEDLO C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001507748068 1072822411 /nfs/dbraw/zinc/82/24/11/1072822411.db2.gz ZOHVRZPUSKVRRI-HNNXBMFYSA-N 1 2 483.689 1.342 20 30 JDEDLO C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001507774820 1072830406 /nfs/dbraw/zinc/83/04/06/1072830406.db2.gz OFSQTMHWMRKAHL-INIZCTEOSA-N 1 2 454.417 1.541 20 30 JDEDLO C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001507952878 1072859144 /nfs/dbraw/zinc/85/91/44/1072859144.db2.gz BQDBGLOSXOAGSB-LJQANCHMSA-N 1 2 479.607 1.196 20 30 JDEDLO C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507954349 1072859374 /nfs/dbraw/zinc/85/93/74/1072859374.db2.gz LQBJVWBZOQLUQN-CEWLAPEOSA-N 1 2 478.663 1.525 20 30 JDEDLO C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507954349 1072859376 /nfs/dbraw/zinc/85/93/76/1072859376.db2.gz LQBJVWBZOQLUQN-CEWLAPEOSA-N 1 2 478.663 1.525 20 30 JDEDLO C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001507980373 1072862994 /nfs/dbraw/zinc/86/29/94/1072862994.db2.gz GJZPQUXZCNMUBA-IBGZPJMESA-N 1 2 475.619 1.667 20 30 JDEDLO C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001508018575 1072867228 /nfs/dbraw/zinc/86/72/28/1072867228.db2.gz GHBFUYRJIFEZRC-ZWKOTPCHSA-N 1 2 472.619 1.859 20 30 JDEDLO C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001508018575 1072867232 /nfs/dbraw/zinc/86/72/32/1072867232.db2.gz GHBFUYRJIFEZRC-ZWKOTPCHSA-N 1 2 472.619 1.859 20 30 JDEDLO C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001508035899 1072868192 /nfs/dbraw/zinc/86/81/92/1072868192.db2.gz GTNSPKLABDPTEM-UHFFFAOYSA-N 1 2 455.563 1.433 20 30 JDEDLO C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001508058515 1072870387 /nfs/dbraw/zinc/87/03/87/1072870387.db2.gz BRUCJNJUCBKTST-OAHLLOKOSA-N 1 2 451.515 1.457 20 30 JDEDLO C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001508091638 1072887153 /nfs/dbraw/zinc/88/71/53/1072887153.db2.gz WCNJRGCIZJYBFX-IBGZPJMESA-N 1 2 472.565 1.944 20 30 JDEDLO C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001508092775 1072888148 /nfs/dbraw/zinc/88/81/48/1072888148.db2.gz RCZWJTBANUNTAZ-UHFFFAOYSA-N 1 2 462.558 1.893 20 30 JDEDLO C=CCNC(=O)Cn1c(N2CC[NH+](Cc3cnc(C)s3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001508097712 1072892881 /nfs/dbraw/zinc/89/28/81/1072892881.db2.gz KFPZGHRUIFWPQL-QHCPKHFHSA-N 1 2 489.646 1.708 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001508135848 1072908809 /nfs/dbraw/zinc/90/88/09/1072908809.db2.gz BKECOZNZYSZSGB-UHFFFAOYSA-N 1 2 456.576 1.309 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001508143795 1072920753 /nfs/dbraw/zinc/92/07/53/1072920753.db2.gz KJNKIRQELQGSRE-UHFFFAOYSA-N 1 2 473.628 1.956 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001508145457 1072923984 /nfs/dbraw/zinc/92/39/84/1072923984.db2.gz MHGLGXJRNVRZSO-PZJWPPBQSA-N 1 2 494.706 1.846 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001508145457 1072924000 /nfs/dbraw/zinc/92/40/00/1072924000.db2.gz MHGLGXJRNVRZSO-PZJWPPBQSA-N 1 2 494.706 1.846 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001508145459 1072924110 /nfs/dbraw/zinc/92/41/10/1072924110.db2.gz MHGLGXJRNVRZSO-TZIWHRDSSA-N 1 2 494.706 1.846 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001508145459 1072924118 /nfs/dbraw/zinc/92/41/18/1072924118.db2.gz MHGLGXJRNVRZSO-TZIWHRDSSA-N 1 2 494.706 1.846 20 30 JDEDLO C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508147956 1072927238 /nfs/dbraw/zinc/92/72/38/1072927238.db2.gz OEAYVYZKWNTRSW-SFHVURJKSA-N 1 2 463.652 1.468 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001508271364 1073039191 /nfs/dbraw/zinc/03/91/91/1073039191.db2.gz CMPZMDCQEFWHMO-INIZCTEOSA-N 1 2 458.592 1.030 20 30 JDEDLO C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001508415366 1073219858 /nfs/dbraw/zinc/21/98/58/1073219858.db2.gz BBNIQOQLQLLZJB-SJORKVTESA-N 1 2 450.547 1.509 20 30 JDEDLO C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@@H]1C ZINC001508415366 1073219862 /nfs/dbraw/zinc/21/98/62/1073219862.db2.gz BBNIQOQLQLLZJB-SJORKVTESA-N 1 2 450.547 1.509 20 30 JDEDLO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001508854461 1073418876 /nfs/dbraw/zinc/41/88/76/1073418876.db2.gz MXOLERTUPARMBX-JTSKRJEESA-N 1 2 456.526 1.724 20 30 JDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)CC2)C1=O ZINC001164644499 719283115 /nfs/dbraw/zinc/28/31/15/719283115.db2.gz MEIRYWKXAKBLMJ-QGZVFWFLSA-N 1 2 458.563 1.185 20 30 JDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)CC2)C1=O ZINC001164644499 719283118 /nfs/dbraw/zinc/28/31/18/719283118.db2.gz MEIRYWKXAKBLMJ-QGZVFWFLSA-N 1 2 458.563 1.185 20 30 JDEDLO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709295 719915376 /nfs/dbraw/zinc/91/53/76/719915376.db2.gz SKNQLOZIAUXQMY-UHFFFAOYSA-N 1 2 494.672 1.781 20 30 JDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164708943 719917525 /nfs/dbraw/zinc/91/75/25/719917525.db2.gz VJZGMJQIJGTMHK-UHFFFAOYSA-N 1 2 464.574 1.622 20 30 JDEDLO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709045 719923704 /nfs/dbraw/zinc/92/37/04/719923704.db2.gz XBFCHCQUIOLGAV-KRWDZBQOSA-N 1 2 488.552 1.094 20 30 JDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(C#N)cnc3cnc(Cl)cc31)CC2 ZINC001164704795 719935195 /nfs/dbraw/zinc/93/51/95/719935195.db2.gz RZZWILAZYQIOCD-UHFFFAOYSA-N 1 2 450.934 1.839 20 30 JDEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719058 720265688 /nfs/dbraw/zinc/26/56/88/720265688.db2.gz KWMZIYQAZVNKJB-OAQYLSRUSA-N 1 2 499.946 1.993 20 30 JDEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719058 720265694 /nfs/dbraw/zinc/26/56/94/720265694.db2.gz KWMZIYQAZVNKJB-OAQYLSRUSA-N 1 2 499.946 1.993 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3[C@@H](C#N)C(=O)OC)C2)C1 ZINC001164723732 720287998 /nfs/dbraw/zinc/28/79/98/720287998.db2.gz XQNPDXXBZQPOQA-MZNJEOGPSA-N 1 2 466.542 1.075 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3[C@@H](C#N)C(=O)OC)C2)C1 ZINC001164723732 720287999 /nfs/dbraw/zinc/28/79/99/720287999.db2.gz XQNPDXXBZQPOQA-MZNJEOGPSA-N 1 2 466.542 1.075 20 30 JDEDLO CSc1nc(Cl)c(C#N)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826248 720427368 /nfs/dbraw/zinc/42/73/68/720427368.db2.gz OXXJWRZHYMXNBZ-CQSZACIVSA-N 1 2 463.995 1.910 20 30 JDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)C2 ZINC001164832625 720476549 /nfs/dbraw/zinc/47/65/49/720476549.db2.gz KJAWIPFCXTWVMS-RBUKOAKNSA-N 1 2 497.600 1.612 20 30 JDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)C2 ZINC001164832626 720476968 /nfs/dbraw/zinc/47/69/68/720476968.db2.gz KJAWIPFCXTWVMS-RTBURBONSA-N 1 2 497.600 1.612 20 30 JDEDLO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915002 721794584 /nfs/dbraw/zinc/79/45/84/721794584.db2.gz SWPKZYYDTNYUID-FNZWTVRRSA-N 1 2 488.548 1.913 20 30 JDEDLO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915002 721794587 /nfs/dbraw/zinc/79/45/87/721794587.db2.gz SWPKZYYDTNYUID-FNZWTVRRSA-N 1 2 488.548 1.913 20 30 JDEDLO N#CCCc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC001474945100 1069315690 /nfs/dbraw/zinc/31/56/90/1069315690.db2.gz QSMDNCULFNFZPB-IBGZPJMESA-N 1 2 456.572 1.717 20 30 JDEDLO N#CCCc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC001474945100 1069315706 /nfs/dbraw/zinc/31/57/06/1069315706.db2.gz QSMDNCULFNFZPB-IBGZPJMESA-N 1 2 456.572 1.717 20 30 JDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 ZINC001501781131 1069668542 /nfs/dbraw/zinc/66/85/42/1069668542.db2.gz XPSNXXKPZVYWPE-UHFFFAOYSA-N 1 2 475.601 1.897 20 30 JDEDLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502264326 1069970442 /nfs/dbraw/zinc/97/04/42/1069970442.db2.gz XWKMFGSDIGFAKD-IEGUWTFLSA-N 1 2 488.614 1.197 20 30 JDEDLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502264326 1069970482 /nfs/dbraw/zinc/97/04/82/1069970482.db2.gz XWKMFGSDIGFAKD-IEGUWTFLSA-N 1 2 488.614 1.197 20 30 JDEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc2)C1 ZINC001478352275 1069975244 /nfs/dbraw/zinc/97/52/44/1069975244.db2.gz XXGKMCTZEGHRBY-WOGUSJMUSA-N 1 2 452.964 1.291 20 30 JDEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc2)C1 ZINC001478352275 1069975279 /nfs/dbraw/zinc/97/52/79/1069975279.db2.gz XXGKMCTZEGHRBY-WOGUSJMUSA-N 1 2 452.964 1.291 20 30 JDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 ZINC001478403911 1069987345 /nfs/dbraw/zinc/98/73/45/1069987345.db2.gz OADQVOHBGYJXJL-WBVHZDCISA-N 1 2 451.568 1.851 20 30 JDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 ZINC001478403900 1069986444 /nfs/dbraw/zinc/98/64/44/1069986444.db2.gz OADQVOHBGYJXJL-DOTOQJQBSA-N 1 2 451.568 1.851 20 30 JDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 ZINC001478403907 1069986751 /nfs/dbraw/zinc/98/67/51/1069986751.db2.gz OADQVOHBGYJXJL-NVXWUHKLSA-N 1 2 451.568 1.851 20 30 JDEDLO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502314472 1070093237 /nfs/dbraw/zinc/09/32/37/1070093237.db2.gz WCRBGKCAOYIOHH-ZWKOTPCHSA-N 1 2 459.545 1.902 20 30 JDEDLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494126648 1070411184 /nfs/dbraw/zinc/41/11/84/1070411184.db2.gz CHJGMHYESWDQSW-GVDBMIGSSA-N 1 2 476.607 1.295 20 30 JDEDLO C[C@H](CC#N)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001494126649 1070411680 /nfs/dbraw/zinc/41/16/80/1070411680.db2.gz CHJGMHYESWDQSW-ZACQAIPSSA-N 1 2 476.607 1.295 20 30 JDEDLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC001494604145 1070656757 /nfs/dbraw/zinc/65/67/57/1070656757.db2.gz XIGMHLNADCXBNK-GOSISDBHSA-N 1 2 450.547 1.819 20 30 JDEDLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC001494604145 1070656770 /nfs/dbraw/zinc/65/67/70/1070656770.db2.gz XIGMHLNADCXBNK-GOSISDBHSA-N 1 2 450.547 1.819 20 30 JDEDLO COc1cc[nH+]cc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001504455564 1071230593 /nfs/dbraw/zinc/23/05/93/1071230593.db2.gz CSSQIKJYBSAVAI-IBGZPJMESA-N 1 2 468.539 1.804 20 30 JDEDLO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503244607 1071242028 /nfs/dbraw/zinc/24/20/28/1071242028.db2.gz GNRAVYREBOSDCY-UHFFFAOYSA-N 1 2 495.609 1.968 20 30 JDEDLO COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504608690 1071465889 /nfs/dbraw/zinc/46/58/89/1071465889.db2.gz MEUTYMHPFLHQQW-LEWJYISDSA-N 1 2 490.605 1.749 20 30 JDEDLO COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504608690 1071465896 /nfs/dbraw/zinc/46/58/96/1071465896.db2.gz MEUTYMHPFLHQQW-LEWJYISDSA-N 1 2 490.605 1.749 20 30 JDEDLO COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001504704369 1071554308 /nfs/dbraw/zinc/55/43/08/1071554308.db2.gz HZVNJYWHGZFXQI-UHFFFAOYSA-N 1 2 481.601 1.756 20 30 JDEDLO C[NH+](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 ZINC001503383570 1071639959 /nfs/dbraw/zinc/63/99/59/1071639959.db2.gz SWBGVAUZCIEWBQ-KHYOSLBOSA-N 1 2 452.581 1.987 20 30 JDEDLO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504874590 1071806312 /nfs/dbraw/zinc/80/63/12/1071806312.db2.gz UZUDSUYAZTWBND-GHTZIAJQSA-N 1 2 467.574 1.475 20 30 JDEDLO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504874590 1071806316 /nfs/dbraw/zinc/80/63/16/1071806316.db2.gz UZUDSUYAZTWBND-GHTZIAJQSA-N 1 2 467.574 1.475 20 30 JDEDLO COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001504887882 1071811337 /nfs/dbraw/zinc/81/13/37/1071811337.db2.gz FSRJTUMBKFWUQT-HXUWFJFHSA-N 1 2 455.563 1.818 20 30 JDEDLO CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503603453 1071883036 /nfs/dbraw/zinc/88/30/36/1071883036.db2.gz OMIYIGQXGLQVHF-UHFFFAOYSA-N 1 2 495.609 1.968 20 30 JDEDLO C[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 ZINC001503611224 1071895507 /nfs/dbraw/zinc/89/55/07/1071895507.db2.gz MYICNSKIWLOERM-PKOBYXMFSA-N 1 2 462.551 1.180 20 30 JDEDLO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 ZINC001503611224 1071895511 /nfs/dbraw/zinc/89/55/11/1071895511.db2.gz MYICNSKIWLOERM-PKOBYXMFSA-N 1 2 462.551 1.180 20 30 JDEDLO COCCO[C@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001504969654 1072019411 /nfs/dbraw/zinc/01/94/11/1072019411.db2.gz SPSFEDQOJLKWNC-XMSQKQJNSA-N 1 2 499.616 1.894 20 30 JDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC001464847878 1067675448 /nfs/dbraw/zinc/67/54/48/1067675448.db2.gz MBJWPGKZRSMQDL-KDURUIRLSA-N 1 2 455.559 1.974 20 30 JDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC001464847878 1067675454 /nfs/dbraw/zinc/67/54/54/1067675454.db2.gz MBJWPGKZRSMQDL-KDURUIRLSA-N 1 2 455.559 1.974 20 30 JDEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC001465380435 1067791657 /nfs/dbraw/zinc/79/16/57/1067791657.db2.gz ZODVETCMQIFBLM-HNNXBMFYSA-N 1 2 459.037 1.888 20 30 JDEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001467701341 1068053234 /nfs/dbraw/zinc/05/32/34/1068053234.db2.gz ZDGMYYJWPXBEPI-FPOVZHCZSA-N 1 2 459.978 1.230 20 30 JDEDLO N#Cc1ccc(N2CCN(C(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)CC2)cn1 ZINC001468286740 1068225229 /nfs/dbraw/zinc/22/52/29/1068225229.db2.gz NYOXWWQNNSUHMA-UHFFFAOYSA-N 1 2 450.543 1.696 20 30 JDEDLO CCOC1CC(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)([NH+]2CCOCC2)C1 ZINC001469729403 1068574402 /nfs/dbraw/zinc/57/44/02/1068574402.db2.gz MAKDNJLZSWKMHI-KAIODVNGSA-N 1 2 451.568 1.315 20 30 JDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1 ZINC001471833445 1068915455 /nfs/dbraw/zinc/91/54/55/1068915455.db2.gz YNWLLBJLHWHEDY-QGZVFWFLSA-N 1 2 453.524 1.897 20 30 JDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1 ZINC001471833445 1068915467 /nfs/dbraw/zinc/91/54/67/1068915467.db2.gz YNWLLBJLHWHEDY-QGZVFWFLSA-N 1 2 453.524 1.897 20 30 JDEDLO C#CCCCCn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001507573341 1072627115 /nfs/dbraw/zinc/62/71/15/1072627115.db2.gz FFZYGQHVBUWFBM-SQJMNOBHSA-N 1 2 472.634 1.867 20 30 JDEDLO C#CCCCn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001507598675 1072636653 /nfs/dbraw/zinc/63/66/53/1072636653.db2.gz GXRBBDKHEOBZIL-PXDATVDWSA-N 1 2 472.634 1.865 20 30 JDEDLO C#CCCCn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001507598671 1072636716 /nfs/dbraw/zinc/63/67/16/1072636716.db2.gz GXRBBDKHEOBZIL-BWKNWUBXSA-N 1 2 472.634 1.865 20 30 JDEDLO C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507618080 1072642596 /nfs/dbraw/zinc/64/25/96/1072642596.db2.gz HDHWNIAUPPHGJO-MRXNPFEDSA-N 1 2 465.587 1.840 20 30 JDEDLO C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507618080 1072642599 /nfs/dbraw/zinc/64/25/99/1072642599.db2.gz HDHWNIAUPPHGJO-MRXNPFEDSA-N 1 2 465.587 1.840 20 30 JDEDLO C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507629939 1072676393 /nfs/dbraw/zinc/67/63/93/1072676393.db2.gz RCTFTMKHOMBVSB-MZKRTTBSSA-N 1 2 496.637 1.943 20 30 JDEDLO C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507629939 1072676401 /nfs/dbraw/zinc/67/64/01/1072676401.db2.gz RCTFTMKHOMBVSB-MZKRTTBSSA-N 1 2 496.637 1.943 20 30 JDEDLO C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507629941 1072676602 /nfs/dbraw/zinc/67/66/02/1072676602.db2.gz RCTFTMKHOMBVSB-ZRCGQRJVSA-N 1 2 496.637 1.943 20 30 JDEDLO C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507629941 1072676622 /nfs/dbraw/zinc/67/66/22/1072676622.db2.gz RCTFTMKHOMBVSB-ZRCGQRJVSA-N 1 2 496.637 1.943 20 30 JDEDLO C#CCN(c1nnc(-c2ccccn2)n1CCCNc1cccc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001507630340 1072679366 /nfs/dbraw/zinc/67/93/66/1072679366.db2.gz XGEMXZWOFUTSNV-GOSISDBHSA-N 1 2 451.556 1.864 20 30 JDEDLO C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC001507633005 1072700245 /nfs/dbraw/zinc/70/02/45/1072700245.db2.gz RCSVRSWIPPXIDQ-HKBOAZHASA-N 1 2 479.647 1.156 20 30 JDEDLO C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC001507633005 1072700258 /nfs/dbraw/zinc/70/02/58/1072700258.db2.gz RCSVRSWIPPXIDQ-HKBOAZHASA-N 1 2 479.647 1.156 20 30 JDEDLO C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001507634077 1072706988 /nfs/dbraw/zinc/70/69/88/1072706988.db2.gz IRTBBTGWBFDXID-HXUWFJFHSA-N 1 2 465.583 1.400 20 30 JDEDLO C#CCN(c1nnc(COCC)n1C[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507638750 1072723099 /nfs/dbraw/zinc/72/30/99/1072723099.db2.gz SMZSWWUFPHYKTP-OALUTQOASA-N 1 2 461.588 1.871 20 30 JDEDLO C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([NH+]2CCOCC2)CC1 ZINC001507644763 1072738546 /nfs/dbraw/zinc/73/85/46/1072738546.db2.gz NINRJSRSSLCJIK-UHFFFAOYSA-N 1 2 482.610 1.133 20 30 JDEDLO C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001507655285 1072747705 /nfs/dbraw/zinc/74/77/05/1072747705.db2.gz FCHXDVOZFFUQAZ-UHFFFAOYSA-N 1 2 450.587 1.965 20 30 JDEDLO C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001507655285 1072747720 /nfs/dbraw/zinc/74/77/20/1072747720.db2.gz FCHXDVOZFFUQAZ-UHFFFAOYSA-N 1 2 450.587 1.965 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001507659147 1072749221 /nfs/dbraw/zinc/74/92/21/1072749221.db2.gz LQLDRVKNLAGDOR-SLFFLAALSA-N 1 2 456.591 1.842 20 30 JDEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001507659147 1072749231 /nfs/dbraw/zinc/74/92/31/1072749231.db2.gz LQLDRVKNLAGDOR-SLFFLAALSA-N 1 2 456.591 1.842 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001507660506 1072749903 /nfs/dbraw/zinc/74/99/03/1072749903.db2.gz VZFLPQZUEUJBJZ-GOSISDBHSA-N 1 2 451.556 1.585 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001507660956 1072750580 /nfs/dbraw/zinc/75/05/80/1072750580.db2.gz IMGQROXDBNKNKR-NBGIEHNGSA-N 1 2 478.601 1.894 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001507660956 1072750593 /nfs/dbraw/zinc/75/05/93/1072750593.db2.gz IMGQROXDBNKNKR-NBGIEHNGSA-N 1 2 478.601 1.894 20 30 JDEDLO C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001507671851 1072756920 /nfs/dbraw/zinc/75/69/20/1072756920.db2.gz QLACTLLZLICJOU-OAQYLSRUSA-N 1 2 498.628 1.914 20 30 JDEDLO C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001507713146 1072771796 /nfs/dbraw/zinc/77/17/96/1072771796.db2.gz YUQVTHGCOOJZDP-VXKWHMMOSA-N 1 2 466.586 1.697 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001507715701 1072773578 /nfs/dbraw/zinc/77/35/78/1072773578.db2.gz HJSQXWBSVKALPQ-UHFFFAOYSA-N 1 2 483.592 1.829 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2COc3ccccc3O2)CC1 ZINC001507715932 1072774364 /nfs/dbraw/zinc/77/43/64/1072774364.db2.gz KFSXAJHNWWFXMM-IBGZPJMESA-N 1 2 452.559 1.792 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001507716652 1072774912 /nfs/dbraw/zinc/77/49/12/1072774912.db2.gz SNADGWWXMRWCNH-MOPGFXCFSA-N 1 2 473.622 1.817 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CC1 ZINC001507717067 1072775836 /nfs/dbraw/zinc/77/58/36/1072775836.db2.gz YDKCIEHIJXFYJF-NRFANRHFSA-N 1 2 487.004 1.812 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(OC)ccc2OC)CC1 ZINC001507716694 1072775962 /nfs/dbraw/zinc/77/59/62/1072775962.db2.gz SZLOODSYTBMPMZ-UHFFFAOYSA-N 1 2 461.526 1.746 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001507717130 1072776130 /nfs/dbraw/zinc/77/61/30/1072776130.db2.gz YNRJLHONEVYZJP-UHFFFAOYSA-N 1 2 466.546 1.159 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001507716773 1072776200 /nfs/dbraw/zinc/77/62/00/1072776200.db2.gz URTAHVLUIWRTCQ-UHFFFAOYSA-N 1 2 497.619 1.976 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001507716731 1072776247 /nfs/dbraw/zinc/77/62/47/1072776247.db2.gz UBCKPEZZKIUVBP-IBGZPJMESA-N 1 2 473.622 1.819 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001507717708 1072777787 /nfs/dbraw/zinc/77/77/87/1072777787.db2.gz GKKSFGXJHITYOQ-UHFFFAOYSA-N 1 2 495.552 1.241 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(=O)NCC=C)CC1 ZINC001507717983 1072778126 /nfs/dbraw/zinc/77/81/26/1072778126.db2.gz KDNHKRYNBDYPMG-UHFFFAOYSA-N 1 2 473.375 1.774 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001507718030 1072778380 /nfs/dbraw/zinc/77/83/80/1072778380.db2.gz LDOFFGOPVGKYMB-RTBURBONSA-N 1 2 457.600 1.919 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(C)COCCO2)CC1 ZINC001507718637 1072780222 /nfs/dbraw/zinc/78/02/22/1072780222.db2.gz SNXOSWJDXZMSMJ-DEOSSOPVSA-N 1 2 471.558 1.532 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ncn(-c3ccccc3)n2)CC1 ZINC001507718682 1072780360 /nfs/dbraw/zinc/78/03/60/1072780360.db2.gz GIFYHLYSGZSGRR-IBGZPJMESA-N 1 2 450.547 1.386 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 ZINC001507718508 1072780524 /nfs/dbraw/zinc/78/05/24/1072780524.db2.gz DTHDTRVMOYRFGZ-WOJBJXKFSA-N 1 2 456.595 1.160 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001507718968 1072781018 /nfs/dbraw/zinc/78/10/18/1072781018.db2.gz IRJCYHVVJHRUHE-NRFANRHFSA-N 1 2 456.616 1.611 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001507719001 1072781083 /nfs/dbraw/zinc/78/10/83/1072781083.db2.gz JQHGUWDZXBUSER-NRFANRHFSA-N 1 2 458.632 1.903 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccco2)CC1 ZINC001507719014 1072781453 /nfs/dbraw/zinc/78/14/53/1072781453.db2.gz JTYYOLOXDBWKPE-HSZRJFAPSA-N 1 2 456.547 1.097 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@@H]2C)CC1 ZINC001507719820 1072782418 /nfs/dbraw/zinc/78/24/18/1072782418.db2.gz BDKWAZMKZVSQAV-RBUKOAKNSA-N 1 2 471.631 1.095 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNS(C)(=O)=O)CC1 ZINC001507719112 1072782441 /nfs/dbraw/zinc/78/24/41/1072782441.db2.gz YIRVZLZWCHCXQY-UHFFFAOYSA-N 1 2 468.530 1.241 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(OCCOC)CCOCC2)CC1 ZINC001507719324 1072782485 /nfs/dbraw/zinc/78/24/85/1072782485.db2.gz AAPHBSAFUVXFGV-UHFFFAOYSA-N 1 2 484.557 1.821 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001507720237 1072784072 /nfs/dbraw/zinc/78/40/72/1072784072.db2.gz SYIYPSHCZWDSCU-ZWKOTPCHSA-N 1 2 458.529 1.642 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001507720662 1072784224 /nfs/dbraw/zinc/78/42/24/1072784224.db2.gz IFXMKYLHVUUIMQ-UHFFFAOYSA-N 1 2 451.984 1.077 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2F)CC1 ZINC001507721016 1072784727 /nfs/dbraw/zinc/78/47/27/1072784727.db2.gz HXGSDIWTKMOLAI-AWEZNQCLSA-N 1 2 470.521 1.304 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001507721100 1072785069 /nfs/dbraw/zinc/78/50/69/1072785069.db2.gz YGPCEKJDLPAIHB-VWLOTQADSA-N 1 2 484.576 1.563 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001507721073 1072785154 /nfs/dbraw/zinc/78/51/54/1072785154.db2.gz YDOHPIWLCCZQSE-SFHVURJKSA-N 1 2 491.589 1.252 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001507721362 1072785920 /nfs/dbraw/zinc/78/59/20/1072785920.db2.gz SBGMKRNCXXHXCA-UHFFFAOYSA-N 1 2 485.654 1.938 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001507721597 1072786057 /nfs/dbraw/zinc/78/60/57/1072786057.db2.gz RHJLOCDQDUEPNO-KRWDZBQOSA-N 1 2 457.966 1.244 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001507722207 1072787724 /nfs/dbraw/zinc/78/77/24/1072787724.db2.gz REYXCDMSXJCUGJ-GOSISDBHSA-N 1 2 474.606 1.806 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nc3ccccc3[nH]2)CC1 ZINC001507722226 1072787777 /nfs/dbraw/zinc/78/77/77/1072787777.db2.gz ROXKQLPAXXMTMH-KRWDZBQOSA-N 1 2 470.603 1.153 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001507721910 1072787794 /nfs/dbraw/zinc/78/77/94/1072787794.db2.gz VFMLJASZHFFVGM-ZNTNEXAZSA-N 1 2 459.554 1.789 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001507722322 1072788106 /nfs/dbraw/zinc/78/81/06/1072788106.db2.gz URHWCBJRGODBHW-QZTJIDSGSA-N 1 2 495.650 1.043 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc32)CC1 ZINC001507722280 1072788372 /nfs/dbraw/zinc/78/83/72/1072788372.db2.gz SMMLEWKLYGSMCY-RTBURBONSA-N 1 2 471.631 1.095 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC(F)(F)F)CC1 ZINC001507722362 1072788543 /nfs/dbraw/zinc/78/85/43/1072788543.db2.gz VHHQKZDPRHYCIS-HNNXBMFYSA-N 1 2 486.520 1.590 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001507722437 1072789101 /nfs/dbraw/zinc/78/91/01/1072789101.db2.gz XARYFIBKDVYGGH-LBPRGKRZSA-N 1 2 477.538 1.167 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001507722443 1072789191 /nfs/dbraw/zinc/78/91/91/1072789191.db2.gz XKYMCBLBLUVQBW-MSOLQXFVSA-N 1 2 497.666 1.193 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC)Oc2ccccc2F)CC1 ZINC001507722371 1072789471 /nfs/dbraw/zinc/78/94/71/1072789471.db2.gz VLXXVWVZCCVXTN-QZTJIDSGSA-N 1 2 478.594 1.640 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(CCOC)c2)CC1 ZINC001507723011 1072789944 /nfs/dbraw/zinc/78/99/44/1072789944.db2.gz QTMFFTREGMFZMX-UHFFFAOYSA-N 1 2 465.558 1.609 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCNS(=O)(=O)CC)CC1 ZINC001507722813 1072790294 /nfs/dbraw/zinc/79/02/94/1072790294.db2.gz KFJZJEHUEXTJDV-UHFFFAOYSA-N 1 2 495.447 1.792 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001507722701 1072790420 /nfs/dbraw/zinc/79/04/20/1072790420.db2.gz FVSXRSWJPVRMHN-PGRDOPGGSA-N 1 2 455.559 1.769 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCOC)CC1 ZINC001507723407 1072790984 /nfs/dbraw/zinc/79/09/84/1072790984.db2.gz HEKBBOUBNRISJK-UHFFFAOYSA-N 1 2 459.620 1.810 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc43)n2C[C@H](F)COC)CC1 ZINC001507723263 1072791326 /nfs/dbraw/zinc/79/13/26/1072791326.db2.gz BEXYWIXLHSVIRW-SFHVURJKSA-N 1 2 467.549 1.805 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001507723909 1072791634 /nfs/dbraw/zinc/79/16/34/1072791634.db2.gz YXRVWYSICGMGOJ-SFHVURJKSA-N 1 2 457.579 1.384 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001507723708 1072791724 /nfs/dbraw/zinc/79/17/24/1072791724.db2.gz RMYXXYXBYFBELQ-SFHVURJKSA-N 1 2 467.540 1.649 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001507723908 1072791996 /nfs/dbraw/zinc/79/19/96/1072791996.db2.gz YXRVWYSICGMGOJ-GOSISDBHSA-N 1 2 457.579 1.384 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)NCC)c2)CC1 ZINC001507726417 1072794868 /nfs/dbraw/zinc/79/48/68/1072794868.db2.gz ILPKJBPCGTZGJU-UHFFFAOYSA-N 1 2 460.586 1.693 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001507726204 1072795332 /nfs/dbraw/zinc/79/53/32/1072795332.db2.gz HTQMJPBFNVFBDH-UHFFFAOYSA-N 1 2 459.554 1.771 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001507727635 1072795948 /nfs/dbraw/zinc/79/59/48/1072795948.db2.gz KEBLNQCKNKZMFI-NRFANRHFSA-N 1 2 450.587 1.742 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001507728150 1072797224 /nfs/dbraw/zinc/79/72/24/1072797224.db2.gz VTTMRIOGAIHYQW-QGZVFWFLSA-N 1 2 473.375 1.653 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(CO)c2)CC1 ZINC001507729619 1072798180 /nfs/dbraw/zinc/79/81/80/1072798180.db2.gz IZJANJUHMYEFOI-JOCHJYFZSA-N 1 2 496.612 1.882 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccccc2)CC1 ZINC001507728955 1072798367 /nfs/dbraw/zinc/79/83/67/1072798367.db2.gz CCEPLTIAQBJAMU-FPOVZHCZSA-N 1 2 472.615 1.170 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(=O)NC)CC1 ZINC001507730867 1072799795 /nfs/dbraw/zinc/79/97/95/1072799795.db2.gz XAXBGNDFMVUZBX-GOSISDBHSA-N 1 2 489.621 1.114 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cccc(OC)c2)CC1 ZINC001507731173 1072800116 /nfs/dbraw/zinc/80/01/16/1072800116.db2.gz CGWATWVGISVBDR-OAQYLSRUSA-N 1 2 452.559 1.714 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)NCC(F)F)CC1 ZINC001507731590 1072800409 /nfs/dbraw/zinc/80/04/09/1072800409.db2.gz MPFLLJFFPCXPSW-UHFFFAOYSA-N 1 2 495.575 1.529 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC001507731677 1072800616 /nfs/dbraw/zinc/80/06/16/1072800616.db2.gz OGDDWZPYRDRVKQ-HXUWFJFHSA-N 1 2 472.615 1.574 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)CCC)CC1 ZINC001507731883 1072801020 /nfs/dbraw/zinc/80/10/20/1072801020.db2.gz RIZMCUYBCZPBQV-DEOSSOPVSA-N 1 2 452.607 1.758 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C2CC2)CC1 ZINC001507732309 1072801253 /nfs/dbraw/zinc/80/12/53/1072801253.db2.gz FLWMPHVZIGEJEX-PDOGEWKWSA-N 1 2 458.607 1.965 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2CCNC(=O)C(C)(C)C)CC1 ZINC001507732202 1072801355 /nfs/dbraw/zinc/80/13/55/1072801355.db2.gz JYNNXQXBMDVDPF-UHFFFAOYSA-N 1 2 454.575 1.783 20 30 JDEDLO C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001507732443 1072801523 /nfs/dbraw/zinc/80/15/23/1072801523.db2.gz VNLYIJHTNOFFNA-UXHICEINSA-N 1 2 474.631 1.612 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001507732409 1072801631 /nfs/dbraw/zinc/80/16/31/1072801631.db2.gz MIYJCQCBXJWUOQ-IZHYLOQSSA-N 1 2 489.580 1.756 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OCC)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001507732388 1072801642 /nfs/dbraw/zinc/80/16/42/1072801642.db2.gz MEXKMBNRTZSWLP-UHFFFAOYSA-N 1 2 487.626 1.836 20 30 JDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(CC(C)C)c2C)CC1 ZINC001507732990 1072802164 /nfs/dbraw/zinc/80/21/64/1072802164.db2.gz MQNRMSLIEGPWSZ-UNMCSNQZSA-N 1 2 455.607 1.967 20 30 JDEDLO C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001507789860 1072834971 /nfs/dbraw/zinc/83/49/71/1072834971.db2.gz NVHUDOQLILFVIT-QGZVFWFLSA-N 1 2 494.438 1.442 20 30 JDEDLO C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507816287 1072842340 /nfs/dbraw/zinc/84/23/40/1072842340.db2.gz LRCWQBNMYIJQKJ-UHFFFAOYSA-N 1 2 478.601 1.759 20 30 JDEDLO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC001507827990 1072844140 /nfs/dbraw/zinc/84/41/40/1072844140.db2.gz LSBXTKOEMDISDY-IBGZPJMESA-N 1 2 484.601 1.956 20 30 JDEDLO C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001507845366 1072848866 /nfs/dbraw/zinc/84/88/66/1072848866.db2.gz DINKUMRINJHCLO-HXUWFJFHSA-N 1 2 494.637 1.948 20 30 JDEDLO C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001507962286 1072860978 /nfs/dbraw/zinc/86/09/78/1072860978.db2.gz PKXAZAGIPVLOFN-FQEVSTJZSA-N 1 2 468.606 1.851 20 30 JDEDLO C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001507969023 1072862611 /nfs/dbraw/zinc/86/26/11/1072862611.db2.gz ZHAQHYXZJZVKKR-SFHVURJKSA-N 1 2 461.592 1.198 20 30 JDEDLO C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001507983248 1072863287 /nfs/dbraw/zinc/86/32/87/1072863287.db2.gz POXUFMHKSRWQQW-MSOLQXFVSA-N 1 2 484.573 1.814 20 30 JDEDLO C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001507983256 1072863314 /nfs/dbraw/zinc/86/33/14/1072863314.db2.gz POXUFMHKSRWQQW-QZTJIDSGSA-N 1 2 484.573 1.814 20 30 JDEDLO C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507983524 1072863670 /nfs/dbraw/zinc/86/36/70/1072863670.db2.gz QPLJKKFOIBBJMD-UHFFFAOYSA-N 1 2 453.595 1.238 20 30 JDEDLO C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001508018573 1072867159 /nfs/dbraw/zinc/86/71/59/1072867159.db2.gz GHBFUYRJIFEZRC-QZTJIDSGSA-N 1 2 472.619 1.859 20 30 JDEDLO C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001508018573 1072867162 /nfs/dbraw/zinc/86/71/62/1072867162.db2.gz GHBFUYRJIFEZRC-QZTJIDSGSA-N 1 2 472.619 1.859 20 30 JDEDLO C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001508037369 1072868132 /nfs/dbraw/zinc/86/81/32/1072868132.db2.gz BMSZPBRFFDCUIX-NRFANRHFSA-N 1 2 459.616 1.877 20 30 JDEDLO C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001508037369 1072868133 /nfs/dbraw/zinc/86/81/33/1072868133.db2.gz BMSZPBRFFDCUIX-NRFANRHFSA-N 1 2 459.616 1.877 20 30 JDEDLO C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001508047435 1072869418 /nfs/dbraw/zinc/86/94/18/1072869418.db2.gz HOSWVUMPQFORHF-GOSISDBHSA-N 1 2 472.615 1.668 20 30 JDEDLO C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001508050539 1072869680 /nfs/dbraw/zinc/86/96/80/1072869680.db2.gz GQFIAWLNQPPZCL-UHFFFAOYSA-N 1 2 450.551 1.097 20 30 JDEDLO C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001508088687 1072884529 /nfs/dbraw/zinc/88/45/29/1072884529.db2.gz USBRRTABQMGXQU-GOSISDBHSA-N 1 2 471.537 1.001 20 30 JDEDLO C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001508088690 1072884555 /nfs/dbraw/zinc/88/45/55/1072884555.db2.gz USBRRTABQMGXQU-SFHVURJKSA-N 1 2 471.537 1.001 20 30 JDEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001508118047 1072897906 /nfs/dbraw/zinc/89/79/06/1072897906.db2.gz VZWCBMBJJFZMDK-SJLPKXTDSA-N 1 2 459.576 1.560 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001508137905 1072912437 /nfs/dbraw/zinc/91/24/37/1072912437.db2.gz SSBDKAQMWYHKOV-UHFFFAOYSA-N 1 2 455.588 1.908 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001508143411 1072919230 /nfs/dbraw/zinc/91/92/30/1072919230.db2.gz KZKXIEXIRIEGHS-UHFFFAOYSA-N 1 2 484.630 1.764 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001508143921 1072921158 /nfs/dbraw/zinc/92/11/58/1072921158.db2.gz POWOJXWXUGWTHD-QGZVFWFLSA-N 1 2 478.644 1.545 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001508143921 1072921166 /nfs/dbraw/zinc/92/11/66/1072921166.db2.gz POWOJXWXUGWTHD-QGZVFWFLSA-N 1 2 478.644 1.545 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001508143917 1072921267 /nfs/dbraw/zinc/92/12/67/1072921267.db2.gz POWOJXWXUGWTHD-KRWDZBQOSA-N 1 2 478.644 1.545 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001508143917 1072921273 /nfs/dbraw/zinc/92/12/73/1072921273.db2.gz POWOJXWXUGWTHD-KRWDZBQOSA-N 1 2 478.644 1.545 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001508144666 1072923120 /nfs/dbraw/zinc/92/31/20/1072923120.db2.gz WNVLKIXMGFRESQ-UHFFFAOYSA-N 1 2 451.637 1.913 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001508145454 1072924087 /nfs/dbraw/zinc/92/40/87/1072924087.db2.gz MHGLGXJRNVRZSO-FPOVZHCZSA-N 1 2 494.706 1.846 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001508145454 1072924093 /nfs/dbraw/zinc/92/40/93/1072924093.db2.gz MHGLGXJRNVRZSO-FPOVZHCZSA-N 1 2 494.706 1.846 20 30 JDEDLO C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001508145738 1072925125 /nfs/dbraw/zinc/92/51/25/1072925125.db2.gz PAIAWTIYXWNLMC-GOSISDBHSA-N 1 2 495.596 1.906 20 30 JDEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001508271100 1073038634 /nfs/dbraw/zinc/03/86/34/1073038634.db2.gz AHPJAEKIXMJOOO-IBGZPJMESA-N 1 2 481.601 1.897 20 30 JDEDLO CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001508389837 1073199203 /nfs/dbraw/zinc/19/92/03/1073199203.db2.gz PENHQSTWIJPKMK-XMMPIXPASA-N 1 2 494.644 1.574 20 30 JDEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001508427083 1073222097 /nfs/dbraw/zinc/22/20/97/1073222097.db2.gz XZCAVGRJGWEORM-AEFFLSMTSA-N 1 2 459.576 1.056 20 30 JDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001508433602 1073231677 /nfs/dbraw/zinc/23/16/77/1073231677.db2.gz NXRTULTXZBTVOZ-SFHVURJKSA-N 1 2 492.628 1.911 20 30 JDEDLO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001508854459 1073418908 /nfs/dbraw/zinc/41/89/08/1073418908.db2.gz MXOLERTUPARMBX-HTAPYJJXSA-N 1 2 456.526 1.724 20 30 JDEDLO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001508854815 1073419108 /nfs/dbraw/zinc/41/91/08/1073419108.db2.gz MXOLERTUPARMBX-VGOFRKELSA-N 1 2 456.526 1.724 20 30 JDEDLO CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001509619153 1073742595 /nfs/dbraw/zinc/74/25/95/1073742595.db2.gz FTKVSIKITNSYCF-QGZVFWFLSA-N 1 2 452.563 1.825 20 30 JDEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164708457 719868952 /nfs/dbraw/zinc/86/89/52/719868952.db2.gz ZHTPTYSXNXLZAD-OBWXTZQISA-N 1 2 467.526 1.643 20 30 JDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164709630 719914279 /nfs/dbraw/zinc/91/42/79/719914279.db2.gz ZADSJEXDOBUNBB-LJQANCHMSA-N 1 2 474.544 1.955 20 30 JDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722788 720299376 /nfs/dbraw/zinc/29/93/76/720299376.db2.gz ROQXJJDBOOPKBY-UZUQRXQVSA-N 1 2 458.563 1.090 20 30 JDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722788 720299384 /nfs/dbraw/zinc/29/93/84/720299384.db2.gz ROQXJJDBOOPKBY-UZUQRXQVSA-N 1 2 458.563 1.090 20 30 JDEDLO CSc1nc(Cl)c(C=NO)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824033 720440820 /nfs/dbraw/zinc/44/08/20/720440820.db2.gz LGYWPPQIEGHAQD-CQSZACIVSA-N 1 2 482.010 1.846 20 30 JDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C3(C#N)CCOCC3)cn1)C2 ZINC001164829648 720467921 /nfs/dbraw/zinc/46/79/21/720467921.db2.gz GLVOGXUJVOWOHO-HXUWFJFHSA-N 1 2 466.586 1.839 20 30 JDEDLO