0 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 4026598 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 4026599 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 CC(C)NCC1=CC=CN=C1 4088009 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 CC(C)NCC1=CC=CN=C1 5402672 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 4027161 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.132 CC(C)NC(=O)C1=CC=C(O)C=C1 5218790 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.147 CC(C)NC(=O)C1=CC(Cl)=NC=C1 4028648 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.147 CC(C)NC(=O)C1=CC=CC(Br)=C1 5329413 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.147 CC(C)NC(=O)C1=CC=CC(N)=C1 4028572 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.147 CC(C)OC(=O)C1=CC=CC(N)=C1 4024620 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.201 CC(C)NC(=O)C1=C(N)C=CC=C1 4028553 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1Br 5328478 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 4026591 [0,0,0,0,1,0|1,0,0]=2 17 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [0,0,0,0,1,0|1,0,1]=3 18 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [0,0,0,0,1,0|1,0,1]=3 19 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4026592 [0,0,0,0,1,0|2,0,1]=4 20 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4025879 [0,0,0,0,1,0|2,0,1]=4 21 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4088647 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [0,0,0,0,1,0|1,0,1]=3 23 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CN=C1 4045120 [0,0,0,0,0,1|3,0,0]=4 24 B13R1.45 CN(C)\C=C\C(=O)C1=CC=NC=C1 4045132 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 5353450 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 7114772 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.16 CCNC(=O)C1=CN=C(Cl)C=C1 4028359 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 9071337 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.17 CCNC(=O)C1=CC(Cl)=NC=C1 4026819 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.17 CCNC(=O)C1=CC=CC(Br)=C1 5664757 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.17 CCNC(=O)C1=CC=CC(N)=C1 4028364 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 3002136 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.30 CCCCC(=O)C1=CC=CN=C1 4026601 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.30 NCCNC(=O)C1=CC=CN=C1 6762334 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 5348641 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 4027146 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.21 CC(C)COC1=CC=C(N)C=C1 4017585 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 4022320 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 4022326 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 4089158 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 4089696 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 5402692 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 4017387 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.125 CC(C)COC1=C(N)C=CC=C1 4017584 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.125 CC(C)COC1=CC=CC=C1O 7365290 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 4024824 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 4024825 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 4091077 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 4017385 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 4090531 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 4017386 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 4088712 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.20 CN(C)C(=O)C1=CC=C(Cl)N=C1 9071419 [0,1,0,0,1,0|2,0,0]=4 56 B12R1.20 CN(C)C(=O)C1=CC=C(O)C=C1 5649432 [0,1,0,0,1,0|1,0,0]=3 57 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br 5346231 [0,1,0,0,1,0|1,0,0]=3 58 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N 5745660 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O 5218683 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.124 CN(C)C(=O)C1=CC=CN=C1Cl 9070951 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.225 CN(C)C(=O)C1=CC(Br)=CN=C1 4045324 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.225 CN(C)C(=O)C1=CC=CC(Br)=C1 5663685 [0,1,0,0,1,0|1,0,0]=3 63 B12R1.225 CN(C)C(=O)C1=CC=CC(N)=C1 5759313 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.225 CN(C)C(=O)C1=NC(Cl)=CC=C1 4038650 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.103 CC(C)NC(=O)C1=CC=C(Br)O1 5694884 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.103 CC(C)NC(=O)C1=CC=C(Br)S1 9072032 [0,1,0,0,1,0|2,0,0]=4 67 B14R1.149 CC(C)CNC(=O)C1=CC(N)=CC=C1 6050973 [0,1,0,0,0,1|1,0,0]=3 68 B14R1.337 CC(C)CC(=O)NC1=CC=CC=C1N 4028094 [0,1,0,0,0,1|1,0,0]=3 69 B14R1.337 CN(C)CC(=O)NC1=CC=CC=C1N 4028441 [0,1,0,0,0,1|2,0,0]=4 70 B14R1.698 CC(C)CC(=O)NC1=CC=C(N)C=C1 4022605 [0,1,0,0,0,1|1,0,0]=3 71 B14R1.698 CC(C)CC(=O)NC1=CC=C(O)C=C1 4021776 [0,1,0,0,0,1|1,0,0]=3 72 B14R1.698 CN(C)CC(=O)NC1=CC=C(N)C=C1 4028276 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.5978 CN(C)CC(=O)NC1=CC=CC(N)=C1 4026943 [0,1,0,0,0,1|2,0,0]=4 74 B14R1.5978 CN(C)CC(=O)NC1=CC=CC(N)=C1 4089422 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.685 CC(C)NC(=O)C1=CC(N)=C(Cl)C=C1 4028567 [0,2,0,0,0,0|1,0,0]=3 76 B14R1.685 CC(C)OC(=O)C1=CC=C(Cl)C(N)=C1 4024618 [0,2,0,0,0,0|0,0,0]=2 77 B14R1.685 CC1=C(N)C=C(C(=O)NC(C)C)C=C1 4028050 [0,2,0,0,0,0|1,0,0]=3 78 B14R1.685 CC1=C(N)C=CC(C(=O)NC(C)C)=C1 4028749 [0,2,0,0,0,0|1,0,0]=3 79 B14R1.6048 CC(C)NC(=O)C1=C(Cl)C=C(N)C=C1 4029854 [0,2,0,0,0,0|1,0,0]=3 80 B14R1.6052 CC(C)NC(=O)C1=C(Cl)C=CC(N)=C1 4029496 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.6052 CC(C)OC(=O)C1=C(Cl)C=CC(N)=C1 4023094 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.438 CC(C)OC1=CC=CC(C=O)=C1 4302400 [0,0,1,1,0,0|2,0,0]=4 83 B12R1.75 CC(C)OC1=CC=CC=C1C=O 3002726 [0,0,1,1,0,0|2,0,0]=4 84 B12R2.1081 O=C1NCCC2=CC=CC=C12 4045791 [1,0,0,1,0,0|1,0,0]=3 85 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 4026593 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.598 NC1CC(=O)N(C2=CC=CC=C2)C1 4014086 [0,0,0,1,0,1|2,0,0]=4 87 B14R2.642 CC(C)N1C2=CC=CC=C2N=C1S 4009525 [0,0,0,1,0,1|1,1,0]=4 88 B14R2.9036 O=C(NC1CC1)C2=CC(Cl)=NC=C2 4028250 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.9036 O=C(NC1CC1)C2=CC=CC(Br)=C2 7223774 [0,1,0,1,0,0|1,0,0]=3 90 B14R2.4633 NC1=C(C(=O)NC2CC2)C=CC=C1 4027693 [0,1,0,1,0,0|1,0,0]=3 91 B10R1.23 CC(C)C(=O)C1=CC=CS1 4303051 [0,0,0,0,2,0|1,0,0]=3 92 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4028558 [1,0,0,0,0,1|2,0,0]=4 93 B12R1.252 CC(C)CNCC1=CC=CC=C1 4014220 [1,0,0,0,0,1|1,0,1]=4 94 B12R1.252 CC(C)CNCC1=CC=CC=C1 4087867 [1,0,0,0,0,1|1,0,1]=4 95 B12R1.252 CC(C)NCCC1=CC=CC=C1 4024832 [1,0,0,0,0,1|1,0,1]=4 96 B12R1.252 CC(C)NCCC1=CC=CC=C1 4088731 [1,0,0,0,0,1|1,0,1]=4