0 B14R2.10591 Cc1cc(NCC2CC2)ncc1N Amb27436518 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.10591 Cc1cc(NCC2CC2)nnc1C Amb27458516 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.10591 Cc1cc(OCC2CC2)ncc1Br Amb27867288 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.10591 Cc1cc(OCC2CC2)ncc1N Amb25884831 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.10591 Cc1cnc(OCC2CC2)cc1N Amb25885850 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.10591 Fc1nc(CCC2CC2)ncc1Br Amb30030828 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.10591 Fc1nc(CCC2CC2)ncc1I Amb29883242 [0,0,0,0,0,0|4,0,0]=4 7 B14R2.10591 NC1=CN(CCC2CC2)C=CC1=O Amb26840847 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.10591 NC1=CN=C(CCC2CC2)NC1=O Amb27967028 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.10591 Nc1nc(CCC2CC2)ncc1Br Amb27433751 [0,0,0,0,0,0|4,0,0]=4 10 B14R2.10591 S=C1NC(CCC2CC2)=NC=C1Br Amb27847893 [0,0,0,0,0,0|3,1,0]=4 11 B13R2.527 Brc1ccc(CNC2CC2)nc1 Amb18302412 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.527 Brc1ccc(NCC2CC2)nc1 Amb6615666 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.527 Brc1ccc(OCC2CC2)nc1 Amb19959354 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.527 Brc1ccc(SCC2CC2)nc1 Amb27841981 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.527 Cc1ccc(CNC2CC2)nc1 Amb25832089 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.527 Cc1ccc(OCC2CC2)nc1 Amb24474124 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.527 Cc1ccc(OCC2CC2)nn1 Amb31198062 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.527 Clc1ccc(CNC2CC2)nn1 Amb22274347 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.527 Clc1ccc(NCC2CC2)nc1 Amb6642277 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.527 Clc1ccc(NCC2CC2)nn1 Amb6657952 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.527 Fc1ccc(CNC2CC2)nc1 Amb28249615 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.527 Fc1ccc(NCC2CC2)nc1 Amb18975356 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.527 Fc1ccc(OCC2CC2)nc1 Amb19959843 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.527 Nc1ccc(CCC2CC2)cc1 Amb27947269 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.527 Nc1ccc(CCC2CC2)cc1 Amb32411530 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.527 Nc1ccc(CNC2CC2)nn1 Amb27848881 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.527 Nc1ccc(NCC2CC2)nc1 Amb7767550 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.527 Nc1ccc(OCC2CC2)nc1 Amb6680931 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.527 Nc1ccc(OCC2CC2)nn1 Amb26512082 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.527 O=C1C=CC(CNC2CC2)=NN1 Amb18210108 [1,0,0,0,0,0|1,0,0]=2 31 B13R2.527 Oc1ccc(CNC2CC2)nc1 Amb26371975 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.527 Oc1ccc(NCC2CC2)nc1 Amb26643054 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.527 Oc1ccc(OCC2CC2)nc1 Amb28066006 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.5331 Cc1ccnc(NCC2CC2)c1 Amb18981409 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.5331 Cc1ccnc(OCC2CC2)c1 Amb31199665 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.5331 Clc1ccnc(CCC2CC2)n1 Amb28146526 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.5331 Fc1ccnc(CCC2CC2)n1 Amb35653730 [1,0,0,0,0,0|3,0,0]=4 38 B13R2.5331 Fc1ccnc(NCC2CC2)c1 Amb28204799 [1,0,0,0,0,0|3,0,0]=4 39 B13R2.5331 Nc1ccnc(NCC2CC2)c1 Amb18981450 [1,0,0,0,0,0|3,0,0]=4 40 B13R2.5331 Nc1ccnc(OCC2CC2)c1 Amb18981541 [1,0,0,0,0,0|3,0,0]=4 41 B13R2.5331 O=C1C=CN=C(CCC2CC2)N1 Amb27428853 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.5331 Oc1cc(CNC2CC2)ncn1 Amb18862630 [1,0,0,0,0,0|3,0,0]=4 43 B13R2.5331 Oc1cccc(CCC2CO2)c1 Amb27404271 [1,0,0,0,0,0|3,0,0]=4 44 B13R2.5331 Oc1cccc(CNC2CC2)c1 Amb1128300 [1,0,0,0,0,0|3,0,0]=4 45 B13R2.5331 Oc1cccc(NCC2CC2)c1 Amb9519954 [1,0,0,0,0,0|3,0,0]=4 46 B13R2.5331 Oc1cccc(OCC2CC2)c1 Amb9423371 [1,0,0,0,0,0|3,0,0]=4 47 B13R2.5331 Oc1cccc(SCC2CC2)c1 Amb24730876 [1,0,0,0,0,0|3,0,0]=4 48 B13R2.5331 Oc1ccnc(CNC2CC2)n1 Amb18862629 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.5331 Oc1ccnc(SCC2CC2)n1 Amb25879531 [1,0,0,0,0,0|3,0,0]=4 50 B15R2.1524 Cc1ccc(CCC2(N)CC2)cc1O Amb33428249 [0,1,0,0,0,0|3,0,0]=4 51 B15R2.1524 Cc1ccc(CCC2(O)CC2)cc1O Amb33427558 [0,1,0,0,0,0|3,0,0]=4 52 B15R2.1524 NC1(CCc2ccc(O)c(O)c2)CC1 Amb33375718 [0,1,0,0,0,0|2,0,1]=4 53 B15R2.1524 Oc1ccc(CCC2(O)CC2)cc1O Amb33379219 [0,1,0,0,0,0|2,0,1]=4 54 B15R2.4522 OCc1cc(NCC2CC2)ncc1F Amb28122321 [0,1,0,0,0,0|3,0,0]=4 55 B15R2.15597 NC1=CN(CCC2CC2)C(=O)NC1=O Amb27393351 [0,1,0,0,0,0|3,0,0]=4 56 B15R2.15597 O=C1NC(=O)N(CCC2CC2)C=C1Br Amb27254032 [0,1,0,0,0,0|3,0,0]=4 57 B15R2.18898 Cc1cc(C(N)CC2CC2)ncc1Br Amb27642361 [0,1,0,0,0,0|3,0,0]=4 58 B15R2.18898 Cc1cc([C@@H](N)CC2CC2)ncc1Br Amb27409751 [0,1,0,0,0,0|3,0,0]=4 59 B15R2.18898 Cc1cc([C@H](N)CC2CC2)ncc1Br Amb27230226 [0,1,0,0,0,0|3,0,0]=4 60 B15R2.18898 NC(CC1CC1)c2ccc(Br)c(O)c2 Amb27273008 [0,1,0,0,0,0|3,0,0]=4 61 B15R2.31892 Cc1cc(OCC2CC2)ncc1C=O Amb22276793 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.511 Cc1cc(CCC(C)C)ncc1N Amb25369850 [0,0,1,0,0,0|3,0,0]=4 63 B13R1.511 Cc1cnc(CCC(C)C)cc1N Amb26483090 [0,0,1,0,0,0|3,0,0]=4 64 B13R1.511 O=C(O)CCC1=NNC(=O)C(O)=C1 Amb28453479 [0,0,1,0,0,0|2,0,1]=4 65 B15R3.20663 Oc1nc(C2CC23CC3)ncc1Br Amb33189070 [0,0,0,1,0,0|3,0,0]=4 66 B13R2.521 Cc1cc(CC2CC2)ncc1N Amb32863398 [0,0,0,0,1,0|3,0,0]=4 67 B13R2.521 O=C1NN=C(CC2CC2)C=C1O Amb28071628 [0,0,0,0,1,0|0,0,0]=1 68 B13R2.521 Oc1cc(CC2CC2)ccc1F Amb28062972 [0,0,0,0,1,0|3,0,0]=4 69 B13R2.3002 Brc1cn(CCC2CC2)nc1I Amb27168409 [0,0,0,0,1,0|3,0,0]=4 70 B13R2.3002 CC1N=C(CCC2CC2)NC1=O Amb28434412 [0,0,0,0,1,0|2,0,1]=4 71 B13R2.3002 Cc1cn(CCC2CC2)nc1N Amb25669665 [0,0,0,0,1,0|3,0,0]=4 72 B13R2.3002 Cc1nn(CCC2CC2)cc1N Amb32706607 [0,0,0,0,1,0|3,0,0]=4 73 B13R2.3002 Cc1sc(CCC2CC2)nc1N Amb28146528 [0,0,0,0,1,0|3,0,0]=4 74 B13R2.3002 Cn1nc(CCC2CC2)cc1N Amb24539050 [0,0,0,0,1,0|3,0,0]=4 75 B13R2.3002 Nc1nn(CCC2CC2)cc1Br Amb25239956 [0,0,0,0,1,0|3,0,0]=4 76 B13R2.3002 Nc1nn(CCC2CC2)cc1Cl Amb25123629 [0,0,0,0,1,0|3,0,0]=4 77 B13R2.10270 CN1C(=O)NN=C1CNC2CC2 Amb35719489 [0,0,0,0,1,0|3,0,0]=4 78 B13R2.10270 CN1C(=O)NN=C1SCC2CC2 Amb28204816 [0,0,0,0,1,0|3,0,0]=4 79 B12R1.21 CC(C)CCc1ccc(N)cn1 Amb18828680 [1,0,1,0,0,0|2,0,0]=4 80 B12R1.21 CC(C)CCc1ccc(N)nn1 Amb18828200 [1,0,1,0,0,0|1,0,1]=4 81 B12R1.226 CC(C)CCc1cc(N)ccn1 Amb25876673 [1,0,1,0,0,0|2,0,0]=4 82 B12R1.226 CC(C)CNc1cc(O)ccn1 Amb27808781 [1,0,1,0,0,0|2,0,0]=4 83 B12R1.1 COCCNC1=NNC(=O)C=C1 Amb28282333 [1,0,1,0,0,0|2,0,0]=4 84 B12R1.28 CCCCCc1cccc(O)c1 Amb8388639 [1,0,1,0,0,0|2,0,0]=4 85 B12R2.2057 c1ccc(CNC2CC2)nc1 Amb6356061 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.2057 c1ccc(CNC2CC2)nc1 Amb8469754 [2,0,0,0,0,0|2,0,0]=4 87 B12R2.2057 c1ccc(OCC2CC2)nc1 Amb24725808 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.2057 c1cnnc(CNC2CC2)c1 Amb27605845 [2,0,0,0,0,0|1,0,1]=4 89 B12R2.2057 c1cnnc(SCC2CC2)c1 Amb27176843 [2,0,0,0,0,0|1,0,1]=4 90 B14R2.933 CC(NC1CC1)C2=NNC(=O)C=C2 Amb27790168 [1,1,0,0,0,0|1,0,0]=3 91 B14R2.933 CN(CC1CC1)C2=NNC(=O)C=C2 Amb27261078 [1,1,0,0,0,0|1,0,0]=3 92 B14R2.933 Cc1ccc([C@@H](N)CC2CC2)nc1 Amb27797880 [1,1,0,0,0,0|2,0,0]=4 93 B14R2.933 NC(CC1CC1)c2ccc(Cl)cn2 Amb24493707 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.933 NC(CC1CC1)c2ccc(O)cn2 Amb28366162 [1,1,0,0,0,0|1,0,1]=4 95 B14R2.933 N[C@@H](CC1CC1)c2ccc(Cl)cn2 Amb27403020 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.933 N[C@H](CC1CC1)c2ccc(F)cn2 Amb27180436 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.933 N[C@H](CC1CC1)c2ccc(I)cn2 Amb27783071 [1,1,0,0,0,0|2,0,0]=4 98 B14R2.933 N[C@H](CC1CC1)c2ccc(O)cn2 Amb27234605 [1,1,0,0,0,0|1,0,1]=4 99 B14R2.933 Nc1ccc(C(N)CC2CC2)nc1 Amb27595581 [1,1,0,0,0,0|2,0,0]=4 100 B14R2.933 Nc1ccc(C(O)CC2CC2)nc1 Amb35622243 [1,1,0,0,0,0|2,0,0]=4 101 B14R2.933 Nc1ccc([C@@H](N)CC2CC2)nc1 Amb27975715 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.948 Cc1ccc(CCC2(N)CC2)nc1 Amb25228894 [1,1,0,0,0,0|2,0,0]=4 103 B14R2.948 Cc1ccc(CCC2(O)CC2)nc1 Amb33198072 [1,1,0,0,0,0|2,0,0]=4 104 B14R2.948 NC1(CCc2ccc(Br)cn2)CC1 Amb29855479 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.948 NC1(CCc2ccc(F)cn2)CC1 Amb33315858 [1,1,0,0,0,0|2,0,0]=4 106 B14R2.948 OC1(CCc2ccc(Br)cn2)CC1 Amb33477457 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.948 OC1(CCc2ccc(Cl)cn2)CC1 Amb33058850 [1,1,0,0,0,0|2,0,0]=4 108 B14R2.948 OC1(CCc2ccc(F)cn2)CC1 Amb33315247 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.949 Cc1ccc(CC(Br)C2CC2)nc1 Amb27207470 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.949 NC(Cc1ccc(Br)cn1)C2CC2 Amb27442934 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.4687 O=C1C=CN(CCC2CC2)C(=S)N1 Amb27647485 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.4687 O=C1NN=C(NCC2CC2)C(=O)N1 Amb18967946 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.9036 Cc1ccnc([C@@H](N)CC2CC2)c1 Amb28398379 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.9036 NC(CC1CC1)c2cccc(O)c2 Amb28423396 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.9036 NC(CC1CC1)c2cncc(O)c2 Amb27493139 [1,1,0,0,0,0|1,0,1]=4 116 B14R2.9036 N[C@@H](CC1CC1)c2cc(Br)ccn2 Amb27223938 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.9036 N[C@H](CC1CC1)c2cc(Br)ccn2 Amb27272723 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.9036 N[C@H](CC1CC1)c2cc(Cl)ccn2 Amb27244739 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.9036 N[C@H](CC1CC1)c2cccc(O)c2 Amb28317771 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.9036 Nc1ccnc([C@@H](N)CC2CC2)c1 Amb27225687 [1,1,0,0,0,0|2,0,0]=4 121 B14R2.9058 Cc1ccnc(CCC2(N)CC2)c1 Amb33318114 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.9058 Cc1ccnc(CCC2(O)CC2)c1 Amb33317801 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.9058 NC1(CCc2cc(F)ccn2)CC1 Amb33320298 [1,1,0,0,0,0|2,0,0]=4 124 B14R2.9058 NC1(CCc2cccc(O)c2)CC1 Amb33310963 [1,1,0,0,0,0|2,0,0]=4 125 B14R2.9058 OC1(CCc2cc(F)ccn2)CC1 Amb33325505 [1,1,0,0,0,0|2,0,0]=4 126 B14R2.9058 Oc1cccc(CCC2(O)CC2)c1 Amb33310863 [1,1,0,0,0,0|2,0,0]=4 127 B14R2.9059 Oc1cccc(CC(O)C2CC2)c1 Amb27416164 [1,1,0,0,0,0|2,0,0]=4 128 B14R2.3063 O=Cc1ccc(CC2CC2)cc1O Amb27180535 [0,1,0,0,1,0|2,0,0]=4 129 B14R2.8239 CC1=CC2=C(CC(C)CC2)NC1=O Amb18038533 [0,0,1,1,0,0|2,0,0]=4 130 B14R2.7726 NC1=CC2=C(CCCCC2)NC1=O Amb23440685 [0,0,1,1,0,0|2,0,0]=4 131 B14R2.28472 CC1=CC2=C(NC1=O)C(C)CCC2 Amb18038532 [0,0,1,1,0,0|2,0,0]=4 132 B14R3.3848 Oc1ccnc(C2CC23CC3)n1 Amb33189049 [1,0,0,1,0,0|2,0,0]=4 133 B12R1.870 CC(C)CCC1=C(O)C(=O)CC1 Amb27261930 [0,0,1,0,1,0|2,0,0]=4 134 B12R2.294 Nc1ccc(CC2CC2)nn1 Amb27654926 [1,0,0,0,1,0|1,0,1]=4 135 B12R2.294 O=C1C=CC(NC2CC2)=CN1 Amb28349033 [1,0,0,0,1,0|2,0,0]=4 136 B12R2.294 O=C1C=CC(NC2CC2)=NN1 Amb27946577 [1,0,0,0,1,0|1,0,0]=3 137 B12R2.2298 Brc1ccn(CCC2CC2)n1 Amb28127198 [1,0,0,0,1,0|2,0,0]=4 138 B12R2.2298 Clc1cc(CCC2CC2)no1 Amb27201090 [1,0,0,0,1,0|2,0,0]=4 139 B12R2.2298 Clc1ccn(CCC2CC2)n1 Amb27260160 [1,0,0,0,1,0|2,0,0]=4 140 B12R2.2298 Nc1cc(CCC2CC2)no1 Amb27787246 [1,0,0,0,1,0|2,0,0]=4 141 B12R2.2298 Nc1ccn(CCC2CC2)n1 Amb25147940 [1,0,0,0,1,0|2,0,0]=4 142 B12R2.2298 O=C1NC(CCC2CC2)=NO1 Amb27472319 [1,0,0,0,1,0|2,0,0]=4 143 B12R2.2298 O=C1NN=C(CCC2CC2)O1 Amb28068108 [1,0,0,0,1,0|1,0,0]=3 144 B12R2.2298 O=C1NN=C(CNC2CC2)N1 Amb18977002 [1,0,0,0,1,0|2,0,0]=4 145 B14R2.951 Cc1ccc(NCCC2CC2)nc1 Amb27962757 [1,0,0,0,0,1|2,0,0]=4 146 B14R2.951 Cc1ccc(NCCC2CC2)nn1 Amb27832726 [1,0,0,0,0,1|1,0,1]=4 147 B14R2.951 Fc1ccc(NCCC2CC2)nc1 Amb27181114 [1,0,0,0,0,1|2,0,0]=4 148 B14R2.951 Nc1ccc(NCCC2CC2)nc1 Amb27167983 [1,0,0,0,0,1|2,0,0]=4 149 B14R2.951 Nc1ccc(OCCC2CC2)nc1 Amb23537870 [1,0,0,0,0,1|2,0,0]=4 150 B14R2.10626 O=C1C=CC(CNC2CNC2)=NN1 Amb28320885 [1,0,0,0,0,1|1,0,0]=3 151 B14R2.9061 Cc1cnnc(NCCC2CC2)c1 Amb28252063 [1,0,0,0,0,1|1,0,1]=4 152 B14R2.9061 Nc1ccnc(OCCC2CC2)c1 Amb33035288 [1,0,0,0,0,1|2,0,0]=4 153 B14R2.9061 Oc1cc(CCNC2CC2)ncn1 Amb18224650 [1,0,0,0,0,1|2,0,0]=4 154 B14R2.9061 Oc1cccc(CNCC2CC2)c1 Amb6686874 [1,0,0,0,0,1|2,0,0]=4 155 B14R2.9061 Oc1ccnc(CCNC2CC2)n1 Amb18224649 [1,0,0,0,0,1|2,0,0]=4