0 B11R1.91 CC(C)NCC1=CC=CN=C1 4088009 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.91 CC(C)NCC1=CC=CN=C1 5402672 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 N=C(N)NCC1=CC=CC=C1 4032915 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 N=C(N)NCC1=CC=CN=C1 4015988 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.91 N=C(N)NCC1=CC=CN=C1 4088063 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.91 N=C(N)NCC1=CC=NC=C1 4015990 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.91 N=C(N)NCC1=CC=NC=C1 4089065 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.91 O=C(O)CCC1=CC=NC=C1 4004170 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 O=C(O)CCC1=NC=CC=C1 4004241 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.91 O=C(O)CCC1=NC=CN=C1 4003578 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.91 O=C(O)CNC1=CC=CN=C1 4110417 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.91 O=C(O)CSC1=NC=CC=C1 4400385 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.17 CCNCC1=NC=CC=C1 9070750 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.17 CNCCC1=CC=NC=C1 4004718 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 CNCCC1=CC=NC=C1 4087817 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4023586 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4089199 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 4035228 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 4022320 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 4022326 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 4089158 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 4089696 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 5402692 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 4017387 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 5122041 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.21 NC(=O)CSC1=CC=C(Br)C=C1 7758268 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 5368059 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 4026869 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3005240 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.27 NNC(=O)CCC1=CC=CC=C1 3017808 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.27 NNC(=O)CCC1=CC=CC=C1 4045083 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 4023673 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 3001886 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4015994 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4090580 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.43 CN(CC1=CC=CC=C1)C(N)=S 4009975 [0,1,0,0,0,0|2,1,0]=4 39 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4002596 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4090863 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4026827 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.125 C=C(C)COC1=CC=CC=C1N 4023577 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.125 C=C(C)COC1=CC=CC=C1N 4089397 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 4024824 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 4024825 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 4091077 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 4017385 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 4090531 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 5232614 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.125 NC(=O)COC1=C(O)C=CC=C1 5144033 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.125 O=C(O)CCN1C=CC=CC1=O 4043762 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 4028464 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.125 O=C(O)COC1=CC=CC=C1Br 3013825 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.125 O=C(O)COC1=CC=CC=C1F 3013975 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.226 C=C(C)COC1=CC=CC(N)=C1 4023581 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.226 CC(=O)NCC1=CC(Br)=CC=C1 9070602 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 3001595 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 4017386 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 4088712 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.226 NC(=O)COC1=CC=CC(Br)=C1 9071988 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 4027053 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 5139503 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 3013974 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 5871696 [0,1,0,0,0,0|3,0,0]=4 66 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 4002962 [0,0,0,1,0,0|1,0,0]=2 67 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4030655 [0,0,0,1,0,0|1,0,0]=2 68 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4028420 [0,0,0,1,0,0|2,0,1]=4 69 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,0,0,0,1,0|1,0,0]=2 70 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,0,0,0,1,0|1,0,0]=2 71 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [0,0,0,0,1,0|2,0,0]=3 72 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [0,0,0,0,1,0|2,0,1]=4 73 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [0,0,0,0,1,0|1,0,2]=4 74 B10R1.18 N=C(N)CC1=CC=CN=C1 4031165 [0,0,0,0,1,0|3,0,0]=4 75 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [0,0,0,0,1,0|3,0,0]=4 76 B10R1.66 CC(=O)CCN1C=CC=N1 4033649 [0,0,0,0,1,0|3,0,0]=4 77 B10R1.66 O=C(O)CCC1=CSC=C1 4014842 [0,0,0,0,1,0|3,0,0]=4 78 B10R1.66 O=C(O)CCN1C=CC=C1 4027042 [0,0,0,0,1,0|3,0,0]=4 79 B12R1.252 CC(C)CNCC1=CC=CC=C1 4014220 [0,0,0,0,0,1|2,0,1]=4 80 B12R1.252 CC(C)CNCC1=CC=CC=C1 4087867 [0,0,0,0,0,1|2,0,1]=4 81 B12R1.252 CC(C)NCCC1=CC=CC=C1 4024832 [0,0,0,0,0,1|2,0,1]=4 82 B12R1.252 CC(C)NCCC1=CC=CC=C1 4088731 [0,0,0,0,0,1|2,0,1]=4 83 B12R1.252 N=C(N)CCCC1=CC=CC=C1 4059893 [0,0,0,0,0,1|3,0,0]=4 84 B9R1.8 CNCC1=CC=CC=N1 4004537 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.1 CCNCC1=CC=C(Br)C=C1 4028726 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.1 CCNCC1=CC=C(Br)C=C1 4090790 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4024922 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4091184 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.1 CCNCC1=CC=C(F)C=C1 4090089 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.1 CCNCC1=CC=C(F)C=C1 9072018 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.16 CC(N=C=O)C1=CC=CC=C1 4040282 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.17 CCNCC1=CC=CC=C1C 4028579 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.17 CCNCC1=CC=CC=C1Cl 4024924 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.17 CCNCC1=CC=CC=C1Cl 4089658 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.24 CCNCC1=CC=CC(Br)=C1 4027171 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.24 CCNCC1=CC=CC(Br)=C1 4089307 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.28 C=CCNCC1=CC=CC=C1 4090793 [1,1,0,0,0,0|1,0,1]=4 102 B11R1.28 C=CCNCC1=CC=CC=C1 9070780 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.28 CNCCOC1=CC=CC=C1 4013938 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.28 NCCOCC1=CC=CC=C1 4028211 [1,1,0,0,0,0|0,0,1]=3 105 B11R1.28 NCCOCC1=CC=CC=C1 4088899 [1,1,0,0,0,0|0,0,1]=3 106 B11R1.28 NCCSCC1=CC=CC=C1 4040201 [1,1,0,0,0,0|0,1,1]=4 107 B11R1.28 NCCSCC1=CC=CC=C1 4089858 [1,1,0,0,0,0|0,1,1]=4 108 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [0,1,0,0,1,0|1,0,0]=3 109 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [0,1,0,0,1,0|1,0,0]=3 110 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [0,1,0,0,1,0|1,0,0]=3 111 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 4032466 [0,1,0,0,1,0|2,0,0]=4 112 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [0,1,0,0,1,0|1,0,1]=4 113 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [0,1,0,0,1,0|1,0,1]=4 114 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [0,1,0,0,1,0|1,0,1]=4 115 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4012626 [0,1,0,0,1,0|2,0,0]=4 116 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4088244 [0,1,0,0,1,0|2,0,0]=4 117 B11R1.86 CC(=O)CC1=C(C)C=CC=N1 4002455 [0,1,0,0,1,0|1,0,0]=3 118 B11R1.86 CC(=O)NC1=CC=CN=C1Cl 9070591 [0,1,0,0,1,0|2,0,0]=4 119 B11R1.86 CC(=O)NC1=NC=CC=C1O 4032188 [0,1,0,0,1,0|2,0,0]=4 120 B11R1.86 CC(C)OC1=CC=CC=C1N 4003147 [0,1,0,0,1,0|1,0,1]=4 121 B11R1.86 CC(C)OC1=CC=CC=C1N 4089404 [0,1,0,0,1,0|1,0,1]=4 122 B11R1.86 CC1=C(CC(=O)O)N=CC=C1 4081067 [0,1,0,0,1,0|2,0,0]=4 123 B11R1.86 CN(C)CC1=CC=CC=C1N 4016941 [0,1,0,0,1,0|2,0,0]=4 124 B11R1.86 CN(C)CC1=CC=CC=C1N 4089185 [0,1,0,0,1,0|2,0,0]=4 125 B11R1.86 O=C(O)CN1C=CC=CC1=O 4029932 [0,1,0,0,1,0|2,0,0]=4 126 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 4002456 [0,1,0,0,1,0|1,0,0]=3 127 B11R1.157 CC(=O)CC1=CC=CC(C)=N1 4000002 [0,1,0,0,1,0|1,0,0]=3 128 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 5475603 [0,1,0,0,1,0|1,0,0]=3 129 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4108227 [0,1,0,0,1,0|2,0,0]=4 130 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 4033483 [0,1,0,0,1,0|1,0,0]=3 131 B11R1.25 O=C(CBr)NCC1=CC=CO1 4023685 [0,1,0,0,1,0|2,0,0]=4 132 B11R1.25 O=C(CCl)NCC1=CC=CO1 3015664 [0,1,0,0,1,0|2,0,0]=4 133 B13R1.158 CC1=C(CSCC(=O)O)C=CC=C1 6187574 [0,1,0,0,0,1|1,1,0]=4 134 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 4110663 [0,1,0,0,0,1|2,0,0]=4 135 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 6933119 [0,1,0,0,0,1|2,0,0]=4 136 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 4013598 [0,1,0,0,0,1|2,0,0]=4 137 B13R1.513 CC(=O)CCSC1=CC=C(F)C=C1 4011074 [0,1,0,0,0,1|1,0,0]=3 138 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 4002816 [0,1,0,0,0,1|2,0,0]=4 139 B13R1.718 NNC(=O)CCNC1=CC=CC=C1 4023493 [0,1,0,0,0,1|2,0,0]=4 140 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 4023661 [0,1,0,0,0,1|1,0,0]=3 141 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 4032190 [0,2,0,0,0,0|1,0,0]=3 142 B13R1.14 CNC(=O)COC1=CC=C(Br)C=C1 7332322 [0,2,0,0,0,0|2,0,0]=4 143 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 7315349 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 3005245 [0,2,0,0,0,0|2,0,0]=4 145 B13R1.132 CC(=O)NC(C)C1=CC=C(Br)C=C1 5587422 [0,2,0,0,0,0|1,0,0]=3 146 B13R1.11 CC(NC(=O)CBr)C1=CC=CC=C1 4023675 [0,2,0,0,0,0|1,0,0]=3 147 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 4022585 [0,2,0,0,0,0|1,0,0]=3 148 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 4045080 [0,2,0,0,0,0|1,0,0]=3 149 B13R1.15 CCC(=O)NCC1=CC(Br)=CC=C1 9070652 [0,2,0,0,0,0|1,0,0]=3 150 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 4034313 [0,2,0,0,0,0|1,0,0]=3 151 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 4089715 [0,2,0,0,0,0|1,0,0]=3 152 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 4032084 [0,2,0,0,0,0|1,0,0]=3 153 B13R1.528 CNC(=O)COC1=CC=CC=C1Br 9071965 [0,2,0,0,0,0|2,0,0]=4 154 B13R1.528 NNC(=O)CCC1=C(O)C=CC=C1 5190979 [0,2,0,0,0,0|2,0,0]=4 155 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 4140248 [0,2,0,0,0,0|2,0,0]=4 156 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F 4005728 [0,2,0,0,0,0|2,0,0]=4 157 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 4026266 [0,2,0,0,0,0|2,0,0]=4 158 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 4140249 [0,2,0,0,0,0|2,0,0]=4 159 B13R1.3420 CC1=CC(C)=CC(CCC(=O)O)=C1 4003119 [0,2,0,0,0,0|2,0,0]=4 160 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [1,0,0,1,0,0|2,0,0]=4 161 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [1,0,0,1,0,0|1,0,0]=3 162 B11R2.1 O=C1NCC2=CC=CN=C12 4037457 [1,0,0,1,0,0|2,0,0]=4 163 B11R2.10 NC1=NC2=C(C=CC=C2)O1 4030771 [0,0,0,1,1,0|2,0,0]=4 164 B13R2.10 O=C1CCN(C2=CC=CC=C2)C1 4015909 [0,0,0,1,0,1|1,0,0]=3 165 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 4046465 [0,0,0,1,0,1|1,0,0]=3 166 B13R2.33 O=C1COC2=CC=CC=C2CN1 4027041 [0,1,0,1,0,0|1,0,0]=3 167 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 4039696 [0,1,0,1,0,0|1,0,1]=4 168 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 4009570 [0,1,0,1,0,0|2,0,0]=4 169 B13R2.328 NC1CC(=O)NC2=CC=CC=C21 4013764 [0,1,0,1,0,0|2,0,0]=4 170 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 4043551 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [0,0,0,0,2,0|1,0,0]=3 172 B9R1.13 CC(=O)CN1C=CC=N1 4027130 [0,0,0,0,2,0|2,0,0]=4 173 B9R1.13 O=C(O)CN1C=CC=C1 4027952 [0,0,0,0,2,0|2,0,0]=4 174 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 5301711 [0,0,0,0,0,2|2,0,0]=4 175 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 4091168 [0,0,0,0,0,2|2,0,0]=4 176 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 5100474 [0,0,0,0,0,2|2,0,0]=4