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C#CCNc1nc(N2CCN(C(=O)COC)CC2)nc(N2CCN(C(=O)COC)CC2)[nH+]1 ZINC000804355661 1068011406 /nfs/dbraw/zinc/01/14/06/1068011406.db2.gz GHFPOLSITQJNJF-UHFFFAOYSA-N 1 2 446.512 -2.071 20 30 IAEDLO C#CCNc1nc(N2CCO[C@H](CNC(C)=O)C2)[nH+]c(N2CCO[C@H](CNC(C)=O)C2)n1 ZINC000804463163 1068025417 /nfs/dbraw/zinc/02/54/17/1068025417.db2.gz HWCCLWDCKYLFNT-IAGOWNOFSA-N 1 2 446.512 -1.979 20 30 IAEDLO C#CCNc1nc(N2CCO[C@H](CNC(C)=O)C2)nc(N2CCO[C@H](CNC(C)=O)C2)[nH+]1 ZINC000804463163 1068025407 /nfs/dbraw/zinc/02/54/07/1068025407.db2.gz HWCCLWDCKYLFNT-IAGOWNOFSA-N 1 2 446.512 -1.979 20 30 IAEDLO C#CCNc1nc(N2CCO[C@@H](CNC(C)=O)C2)[nH+]c(N2CCO[C@@H](CNC(C)=O)C2)n1 ZINC000804463164 1068025468 /nfs/dbraw/zinc/02/54/68/1068025468.db2.gz HWCCLWDCKYLFNT-IRXDYDNUSA-N 1 2 446.512 -1.979 20 30 IAEDLO C#CCNc1nc(N2CCO[C@@H](CNC(C)=O)C2)nc(N2CCO[C@@H](CNC(C)=O)C2)[nH+]1 ZINC000804463164 1068025458 /nfs/dbraw/zinc/02/54/58/1068025458.db2.gz HWCCLWDCKYLFNT-IRXDYDNUSA-N 1 2 446.512 -1.979 20 30 IAEDLO C#CCNc1nc(N2CCO[C@@H](CC(=O)OC)C2)[nH+]c(N2CCO[C@@H](CC(=O)OC)C2)n1 ZINC000804533948 1068025615 /nfs/dbraw/zinc/02/56/15/1068025615.db2.gz CCKSADJVZOLQCO-GJZGRUSLSA-N 1 2 448.480 -1.125 20 30 IAEDLO C#CCNc1nc(N2CCO[C@@H](CC(=O)OC)C2)nc(N2CCO[C@@H](CC(=O)OC)C2)[nH+]1 ZINC000804533948 1068025598 /nfs/dbraw/zinc/02/55/98/1068025598.db2.gz CCKSADJVZOLQCO-GJZGRUSLSA-N 1 2 448.480 -1.125 20 30 IAEDLO C#CCNc1nc(N2CCO[C@H](CC(=O)OC)C2)[nH+]c(N2CCO[C@H](CC(=O)OC)C2)n1 ZINC000804533950 1068025390 /nfs/dbraw/zinc/02/53/90/1068025390.db2.gz CCKSADJVZOLQCO-HUUCEWRRSA-N 1 2 448.480 -1.125 20 30 IAEDLO C#CCNc1nc(N2CCO[C@H](CC(=O)OC)C2)nc(N2CCO[C@H](CC(=O)OC)C2)[nH+]1 ZINC000804533950 1068025379 /nfs/dbraw/zinc/02/53/79/1068025379.db2.gz CCKSADJVZOLQCO-HUUCEWRRSA-N 1 2 448.480 -1.125 20 30 IAEDLO C#CCNc1nc(N2CCN(C(=O)[C@H](C)O)CC2)[nH+]c(N2CCN(C(=O)[C@H](C)O)CC2)n1 ZINC000804586534 1068026173 /nfs/dbraw/zinc/02/61/73/1068026173.db2.gz HEMBZBAOGSOZHQ-GJZGRUSLSA-N 1 2 446.512 -2.603 20 30 IAEDLO C#CCNc1nc(N2CCN(C(=O)[C@H](C)O)CC2)nc(N2CCN(C(=O)[C@H](C)O)CC2)[nH+]1 ZINC000804586534 1068026164 /nfs/dbraw/zinc/02/61/64/1068026164.db2.gz HEMBZBAOGSOZHQ-GJZGRUSLSA-N 1 2 446.512 -2.603 20 30 IAEDLO C#CCNc1nc(N2CCN(C(=O)[C@@H](C)O)CC2)[nH+]c(N2CCN(C(=O)[C@@H](C)O)CC2)n1 ZINC000804586535 1068026303 /nfs/dbraw/zinc/02/63/03/1068026303.db2.gz HEMBZBAOGSOZHQ-HUUCEWRRSA-N 1 2 446.512 -2.603 20 30 IAEDLO C#CCNc1nc(N2CCN(C(=O)[C@@H](C)O)CC2)nc(N2CCN(C(=O)[C@@H](C)O)CC2)[nH+]1 ZINC000804586535 1068026290 /nfs/dbraw/zinc/02/62/90/1068026290.db2.gz HEMBZBAOGSOZHQ-HUUCEWRRSA-N 1 2 446.512 -2.603 20 30 IAEDLO C#CCNc1nc(N2CCN(CCOC)C(=O)C2)[nH+]c(N2CCN(CCOC)C(=O)C2)n1 ZINC000804587841 1068025961 /nfs/dbraw/zinc/02/59/61/1068025961.db2.gz DBTFXBRMEUNTDK-UHFFFAOYSA-N 1 2 446.512 -2.071 20 30 IAEDLO C#CCNc1nc(N2CCN(CCOC)C(=O)C2)nc(N2CCN(CCOC)C(=O)C2)[nH+]1 ZINC000804587841 1068025947 /nfs/dbraw/zinc/02/59/47/1068025947.db2.gz DBTFXBRMEUNTDK-UHFFFAOYSA-N 1 2 446.512 -2.071 20 30 IAEDLO C#CCNc1nc(N[C@H]2CCCN(CCO)C2=O)nc(N[C@H]2CCCN(CCO)C2=O)[nH+]1 ZINC000804621034 1068026235 /nfs/dbraw/zinc/02/62/35/1068026235.db2.gz FJMAXYGEFRESJN-GJZGRUSLSA-N 1 2 446.512 -1.293 20 30 IAEDLO C#CCNc1nc(N[C@H]2CCCN(CCO)C2=O)[nH+]c(N[C@H]2CCCN(CCO)C2=O)n1 ZINC000804621034 1068026223 /nfs/dbraw/zinc/02/62/23/1068026223.db2.gz FJMAXYGEFRESJN-GJZGRUSLSA-N 1 2 446.512 -1.293 20 30 IAEDLO C#CCNc1nc(N[C@@H]2CCCN(CCO)C2=O)nc(N[C@@H]2CCCN(CCO)C2=O)[nH+]1 ZINC000804621035 1068026057 /nfs/dbraw/zinc/02/60/57/1068026057.db2.gz FJMAXYGEFRESJN-HUUCEWRRSA-N 1 2 446.512 -1.293 20 30 IAEDLO C#CCNc1nc(N[C@@H]2CCCN(CCO)C2=O)[nH+]c(N[C@@H]2CCCN(CCO)C2=O)n1 ZINC000804621035 1068026045 /nfs/dbraw/zinc/02/60/45/1068026045.db2.gz FJMAXYGEFRESJN-HUUCEWRRSA-N 1 2 446.512 -1.293 20 30 IAEDLO C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CCCO1 ZINC000809310490 1068032245 /nfs/dbraw/zinc/03/22/45/1068032245.db2.gz JNVPIGBCQMFWRR-CVEARBPZSA-N 1 2 427.527 -2.080 20 30 IAEDLO C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CCCO1 ZINC000809310525 1068032211 /nfs/dbraw/zinc/03/22/11/1068032211.db2.gz JNVPIGBCQMFWRR-HOTGVXAUSA-N 1 2 427.527 -2.080 20 30 IAEDLO C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000809310527 1068032100 /nfs/dbraw/zinc/03/21/00/1068032100.db2.gz JNVPIGBCQMFWRR-HZPDHXFCSA-N 1 2 427.527 -2.080 20 30 IAEDLO C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000809310529 1068031964 /nfs/dbraw/zinc/03/19/64/1068031964.db2.gz JNVPIGBCQMFWRR-JKSUJKDBSA-N 1 2 427.527 -2.080 20 30 IAEDLO N#Cc1ccc(N2C[C@]3(COCCN(C(=O)[C@@H]([NH3+])Cc4nn[nH]n4)C3)OCC2=O)cc1 ZINC001158941411 1068341313 /nfs/dbraw/zinc/34/13/13/1068341313.db2.gz IRUVVYLFZPMBKH-HNAYVOBHSA-N 1 2 426.437 -1.398 20 30 IAEDLO N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)[C@@H]([NH3+])Cc4nn[nH]n4)C3)OCC2=O)cc1 ZINC001158941412 1068341116 /nfs/dbraw/zinc/34/11/16/1068341116.db2.gz IRUVVYLFZPMBKH-KXBFYZLASA-N 1 2 426.437 -1.398 20 30 IAEDLO N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CN4CC[NH2+]CC4=O)C3)OCC2=O)cc1 ZINC001158942804 1068341245 /nfs/dbraw/zinc/34/12/45/1068341245.db2.gz SMVKQWIKOGODNH-NRFANRHFSA-N 1 2 427.461 -1.049 20 30 IAEDLO N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CN4CC[NH2+]CC4=O)C3)OCC2=O)cc1 ZINC001158942806 1068341913 /nfs/dbraw/zinc/34/19/13/1068341913.db2.gz SMVKQWIKOGODNH-OAQYLSRUSA-N 1 2 427.461 -1.049 20 30 IAEDLO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H]1C(=O)OCc1ccccc1 ZINC001172260277 1068061469 /nfs/dbraw/zinc/06/14/69/1068061469.db2.gz JKGGWHVWVJYXMT-RCVYVCHFSA-N 1 2 439.461 -1.470 20 30 IAEDLO COC(=O)[C@H]1C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H]1C(=O)OCc1ccccc1 ZINC001172260278 1068061887 /nfs/dbraw/zinc/06/18/87/1068061887.db2.gz JKGGWHVWVJYXMT-RRGAYKJSSA-N 1 2 439.461 -1.470 20 30 IAEDLO C#CCNS(=O)(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC001192975203 1068118557 /nfs/dbraw/zinc/11/85/57/1068118557.db2.gz BXDIEPFRSMQGOE-UHFFFAOYSA-N 1 2 440.526 -1.252 20 30 IAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001318335438 1068525827 /nfs/dbraw/zinc/52/58/27/1068525827.db2.gz SAXONPVPHBSIMI-HNNXBMFYSA-N 1 2 437.522 -1.564 20 30 IAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001318335438 1068525818 /nfs/dbraw/zinc/52/58/18/1068525818.db2.gz SAXONPVPHBSIMI-HNNXBMFYSA-N 1 2 437.522 -1.564 20 30 IAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001318335446 1068525934 /nfs/dbraw/zinc/52/59/34/1068525934.db2.gz SAXONPVPHBSIMI-OAHLLOKOSA-N 1 2 437.522 -1.564 20 30 IAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001318335446 1068525922 /nfs/dbraw/zinc/52/59/22/1068525922.db2.gz SAXONPVPHBSIMI-OAHLLOKOSA-N 1 2 437.522 -1.564 20 30 IAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)CC1 ZINC001359029116 1068567286 /nfs/dbraw/zinc/56/72/86/1068567286.db2.gz OUKBKVGMOOGQRL-CYBMUJFWSA-N 1 2 433.560 -1.807 20 30 IAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)CC1 ZINC001359029117 1068567532 /nfs/dbraw/zinc/56/75/32/1068567532.db2.gz OUKBKVGMOOGQRL-ZDUSSCGKSA-N 1 2 433.560 -1.807 20 30 IAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC)CC1 ZINC001359030455 1068567430 /nfs/dbraw/zinc/56/74/30/1068567430.db2.gz WKJGRGDFGQAYAW-CYBMUJFWSA-N 1 2 433.560 -1.807 20 30 IAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC)CC1 ZINC001359030456 1068567558 /nfs/dbraw/zinc/56/75/58/1068567558.db2.gz WKJGRGDFGQAYAW-ZDUSSCGKSA-N 1 2 433.560 -1.807 20 30 IAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001455115819 1068576029 /nfs/dbraw/zinc/57/60/29/1068576029.db2.gz SGVWOBBZJSIZSD-INIZCTEOSA-N 1 2 427.527 -2.221 20 30 IAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001455115821 1068576051 /nfs/dbraw/zinc/57/60/51/1068576051.db2.gz SGVWOBBZJSIZSD-MRXNPFEDSA-N 1 2 427.527 -2.221 20 30 IAEDLO CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464844246 1068581882 /nfs/dbraw/zinc/58/18/82/1068581882.db2.gz KIWSKIUSWRKCPG-UHFFFAOYSA-N 1 2 445.524 -1.093 20 30 IAEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001539446165 1068622872 /nfs/dbraw/zinc/62/28/72/1068622872.db2.gz SMGPPIYUXNWHHM-HNNXBMFYSA-N 1 2 436.538 -1.076 20 30 IAEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001539446166 1068623357 /nfs/dbraw/zinc/62/33/57/1068623357.db2.gz SMGPPIYUXNWHHM-OAHLLOKOSA-N 1 2 436.538 -1.076 20 30 IAEDLO CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049136 1068656773 /nfs/dbraw/zinc/65/67/73/1068656773.db2.gz BTYOIWYOPJWKBW-UHFFFAOYSA-N 1 2 431.497 -1.483 20 30 IAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)CC1 ZINC001588743031 1068660270 /nfs/dbraw/zinc/66/02/70/1068660270.db2.gz WTEMJMWICKLUTA-AWEZNQCLSA-N 1 2 447.587 -1.417 20 30 IAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)CC1 ZINC001588743032 1068660339 /nfs/dbraw/zinc/66/03/39/1068660339.db2.gz WTEMJMWICKLUTA-CQSZACIVSA-N 1 2 447.587 -1.417 20 30 IAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)CC1 ZINC001615209685 1068669029 /nfs/dbraw/zinc/66/90/29/1068669029.db2.gz SVDIYRMNLDYHNI-UXHICEINSA-N 1 2 430.509 -1.008 20 30 IAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)CC1 ZINC001615209685 1068669023 /nfs/dbraw/zinc/66/90/23/1068669023.db2.gz SVDIYRMNLDYHNI-UXHICEINSA-N 1 2 430.509 -1.008 20 30 IAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC001623147434 1068685626 /nfs/dbraw/zinc/68/56/26/1068685626.db2.gz UVSMLSKNEJQGDD-UHFFFAOYSA-N 1 2 425.515 -1.168 20 30 IAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC001627014733 1068688796 /nfs/dbraw/zinc/68/87/96/1068688796.db2.gz CAFBKOKPLFCOMA-UHFFFAOYSA-N 1 2 429.543 -1.896 20 30 IAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC001627014733 1068688793 /nfs/dbraw/zinc/68/87/93/1068688793.db2.gz CAFBKOKPLFCOMA-UHFFFAOYSA-N 1 2 429.543 -1.896 20 30 IAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)CC1 ZINC001627015294 1068688911 /nfs/dbraw/zinc/68/89/11/1068688911.db2.gz NFOIFPIAXFYIHY-OALUTQOASA-N 1 2 430.509 -1.008 20 30 IAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)CC1 ZINC001627015294 1068688907 /nfs/dbraw/zinc/68/89/07/1068688907.db2.gz NFOIFPIAXFYIHY-OALUTQOASA-N 1 2 430.509 -1.008 20 30 IAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001631208750 1068693527 /nfs/dbraw/zinc/69/35/27/1068693527.db2.gz PTANRVZEKVUWNG-UHFFFAOYSA-N 1 2 435.572 -1.710 20 30 IAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)CC1 ZINC001690112242 1068727191 /nfs/dbraw/zinc/72/71/91/1068727191.db2.gz SFSZHIKCIRQQNI-AWEZNQCLSA-N 1 2 447.587 -1.465 20 30 IAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)CC1 ZINC001690112243 1068727135 /nfs/dbraw/zinc/72/71/35/1068727135.db2.gz SFSZHIKCIRQQNI-CQSZACIVSA-N 1 2 447.587 -1.465 20 30 IAEDLO