0 B10R1.59 CC(=O)C1=C(Br)SC(Br)=C1 5769AJ [0,0,0,0,0,0|2,1,0]=3 1 B10R1.59 CC(=O)C1=C(C)NC(=O)N1 7515AB [0,0,0,0,0,0|3,0,0]=3 2 B10R1.59 CC1=C(C(=O)O)SC(=S)N1 8512AB [0,0,0,0,0,0|4,0,0]=4 3 B10R1.59 CC1=C(C(=O)O)SC(I)=N1 X6570 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 3020AE [0,0,0,0,0,0|2,1,0]=3 5 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 0935AE [0,0,0,0,0,0|3,0,0]=3 6 B10R1.59 CC1=CC(N)=C(C(=O)O)N1 1661AC [0,0,0,0,0,0|4,0,0]=4 7 B10R1.59 CC1=CC(N)=C(C(=O)O)S1 0059AA [0,0,0,0,0,0|4,0,0]=4 8 B9R1.22 C=CC1=C(C)N=C(C)S1 0042AC [1,0,0,0,0,0|2,0,1]=4 9 B9R1.22 CC1=CC(C#N)=C(C)N1 2272AB [1,0,0,0,0,0|2,0,1]=4 10 B9R1.22 CC1=NC(C=O)=C(C)O1 Y4728 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.22 CN1C=C(C=O)C(N)=N1 2011AF [1,0,0,0,0,0|3,0,0]=4 12 B9R1.22 CNC1=CC(C)=NN1C Z2924 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.22 O=CC1=C(Br)SC(Br)=C1 0734AQ [1,0,0,0,0,0|2,1,0]=4 14 B9R1.35 CC(=O)C1=CC(C)=NO1 W6915 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.35 CC(=O)C1=CNC(C)=N1 2255AC [1,0,0,0,0,0|2,0,0]=3 16 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 CC(=O)C1=NOC(C)=N1 9502AH [1,0,0,0,0,0|2,0,0]=3 18 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.35 CC1=NC=C(C(N)=O)O1 3322AC [1,0,0,0,0,0|3,0,0]=4 20 B9R1.35 O=C(O)C1=COC(F)=N1 X6415 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.35 O=C(O)C1=CSC(F)=C1 2919AL [1,0,0,0,0,0|2,1,0]=4 22 B9R1.41 CC(=O)C1=C(C)N=CO1 1471AB [1,0,0,0,0,0|2,0,0]=3 23 B9R1.41 CC(=O)C1=C(O)C=CS1 U507 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.41 CC(=O)C1=NON=C1C 8383AA [1,0,0,0,0,0|3,0,0]=4 25 B9R1.41 CC1=C(C(N)=O)C=CS1 0775AQ [1,0,0,0,0,0|1,1,0]=3 26 B9R1.41 CN1N=CC=C1C(N)=O 4636AF [1,0,0,0,0,0|3,0,0]=4 27 B9R1.41 NC(=O)C1=C(N)OC=N1 3175AB [1,0,0,0,0,0|3,0,0]=4 28 B9R1.41 O=C(O)C1=C(Br)OC=C1 Z5486 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.41 O=C(O)C1=C(Br)OC=N1 4555AA [1,0,0,0,0,0|3,0,0]=4 30 B11R1.50 CCN1C=C(C(C)=O)C(C)=N1 3996AF [0,1,0,0,0,0|2,0,0]=3 31 B11R1.225 CC1=C(C(=O)CBr)SC(N)=N1 3641AB [0,1,0,0,0,0|3,0,0]=4 32 B11R1.673 CC(=O)C1=C(C)OC(C)C1=O 4690AB [0,1,0,0,0,0|0,0,1]=2 33 B11R1.673 CC1=NN(C)C(C)=C1C(N)=O 0950AF [0,1,0,0,0,0|3,0,0]=4 34 B9R0.6 CCOC(=O)C(=O)C(C)=O 8867AA [0,0,1,0,0,0|2,0,1]=4 35 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 4030AB [0,0,0,0,0,1|2,0,0]=3 36 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 7630AE [0,0,0,0,0,1|3,0,0]=4 37 B11R1.74 CC1=CC(F)=CC(C(=O)O)=N1 1356AA [0,0,0,0,0,1|3,0,0]=4 38 B11R1.74 CC1=NC(N)=CC(C(=O)O)=N1 5813AC [0,0,0,0,0,1|3,0,0]=4 39 B11R1.166 CC(=O)C1=CN=C(C)C=C1N 5382AA [0,0,0,0,0,1|2,0,0]=3 40 B11R1.166 CC(=O)C1=NC=C(Br)C=C1O 6767AA [0,0,0,0,0,1|3,0,0]=4 41 B11R1.166 CC(=O)C1=NC=C(F)C=C1F 1576AA [0,0,0,0,0,1|3,0,0]=4 42 B11R1.166 CC1=CC(N)=C(C(N)=O)N=C1 1002AD [0,0,0,0,0,1|3,0,0]=4 43 B11R1.166 CC1=CC=C(C(=N)N)C(C)=C1 1390AJ [0,0,0,0,0,1|3,0,0]=4 44 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O Y3603 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.166 CC1=NC(N)=C(C(N)=O)N=C1 6986AB [0,0,0,0,0,1|3,0,0]=4 46 B11R1.167 CC(=O)C1=CC(N)=CC=C1Br 7482AA [0,0,0,0,0,1|3,0,0]=4 47 B11R1.167 CC(=O)C1=CC(O)=CC=C1N 3283AB [0,0,0,0,0,1|3,0,0]=4 48 B11R1.167 CC(=O)C1=NC(C)=CC=C1C 2480AC [0,0,0,0,0,1|2,0,0]=3 49 B11R1.167 CC1=C(C(=O)O)C=C(I)C=N1 0904AQ [0,0,0,0,0,1|3,0,0]=4 50 B11R1.167 CC1=C(C(N)=O)C=[N+](C)C=C1 2020AA [0,0,0,0,0,1|3,0,0]=4 51 B11R1.167 CC1=CC(C(=O)O)=C(Br)N=C1 0132AC [0,0,0,0,0,1|3,0,0]=4 52 B11R1.167 CC1=CN=C(Cl)C(C(N)=O)=C1 9971AB [0,0,0,0,0,1|3,0,0]=4 53 B11R1.167 CC1=CNC(=O)C(C(N)=O)=C1 3304AC [0,0,0,0,0,1|3,0,0]=4 54 B8R1.1 CC1=CC(CO)=CO1 Y6575 [2,0,0,0,0,0|0,0,2]=4 55 B8R1.1 CC1=COC(C=O)=C1 2776AL [2,0,0,0,0,0|2,0,0]=4 56 B8R1.11 CC1=C(C=O)NC=C1 1713AB [2,0,0,0,0,0|2,0,0]=4 57 B8R1.18 CC1=C(Br)OC(Br)=C1 B848 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.18 CC1=C(C)OC(Br)=N1 Y7293 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.7 CC(=O)C1=COC=N1 9362AH [2,0,0,0,0,0|1,0,0]=3 60 B8R1.7 CC(=O)C1=CON=C1 2844AC [2,0,0,0,0,0|1,0,0]=3 61 B8R1.7 CC(=O)C1=CSN=C1 9903AH [2,0,0,0,0,0|1,1,0]=4 62 B8R1.7 CC(=O)C1=NOC=C1 4155AC [2,0,0,0,0,0|1,0,0]=3 63 B8R1.7 NC(=O)C1=COC=N1 Z4456 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.35 COC1=NC(C)=C(C=O)S1 3727AF [1,1,0,0,0,0|2,0,0]=4 65 B10R1.130 CNCC1=C(C)OC(C)=N1 9387AH [1,1,0,0,0,0|1,0,1]=4 66 B10R1.14 CC1=CC(C(=O)NN)=CS1 4925AE [1,1,0,0,0,0|1,1,0]=4 67 B10R1.14 CC1=CC=C(C(=O)CBr)O1 Y7733 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.14 CN1C=C(C(=O)CBr)C=N1 0965AC [1,1,0,0,0,0|2,0,0]=4 69 B10R1.14 COC(=O)C1=CSC(Cl)=C1 0109AP [1,1,0,0,0,0|1,1,0]=4 70 B10R1.31 CSC1=NC(C(C)=O)=CN1 9374AH [1,1,0,0,0,0|2,0,0]=4 71 B10R1.31 NCC1=CC(C(=O)O)=CO1 3933AF [1,1,0,0,0,0|1,0,0]=3 72 B10R1.39 O=C(O)C1=C(CCl)ON=C1 0884AQ [1,1,0,0,0,0|2,0,0]=4 73 B10R1.39 O=CC1=C(C(=O)O)C=CO1 7337AA [1,1,0,0,0,0|1,0,1]=4 74 B10R1.149 COC(=O)C1=C(C)NC=N1 9776AE [1,1,0,0,0,0|2,0,0]=4 75 B10R1.192 CC(=O)C1=C(C)NN=C1C 1405AL [1,1,0,0,0,0|2,0,0]=4 76 B12R1.511 CC(=O)C1=CC(I)=CC(C)=C1N 3637AF [0,1,0,0,0,1|2,0,0]=4 77 B12R1.511 CC1=CC(C(=O)O)=C(I)C(C)=C1 0191AB [0,1,0,0,0,1|2,0,0]=4 78 B12R1.232 CC(=O)C1=C(C)N=C(Cl)C(I)=C1 4178AD [0,1,0,0,0,1|2,0,0]=4 79 B12R1.232 CC(=O)C1=C(C)NC(=O)C(I)=C1 4190AD [0,1,0,0,0,1|2,0,0]=4 80 B12R1.232 CC(=O)C1=CC(Br)=C(C)C=C1N 3997AJ [0,1,0,0,0,1|2,0,0]=4 81 B12R1.232 CC1=NC(C)=C(Cl)N=C1C(N)=O 3373AH [0,1,0,0,0,1|2,0,0]=4 82 B12R1.452 CSC1=NC=C(C(=O)O)C(C)=C1 Z0134 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.893 CC1=C(N)C(C)=C(C(=O)O)C=C1 2122AJ [0,1,0,0,0,1|2,0,0]=4 84 B12R1.1000 CC(=O)C1=C(O)C=C(C)NC1=O 8002AB [0,1,0,0,0,1|2,0,0]=4 85 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(F)=C1 1713AJ [0,1,0,0,0,1|2,0,0]=4 86 B12R1.1703 COC(=O)C1=C(C)C=C(C)N=C1 X5571 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.1703 COC(=O)C1=CC=C(N)N=C1C Y4417 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.1703 COC(=O)C1=NC=C(C)N=C1N 2220AA [0,1,0,0,0,1|2,0,0]=4 89 B12R1.46 CCC1=C(C(=O)O)C=C(C)N=C1 3277AC [0,1,0,0,0,1|2,0,0]=4 90 B12R1.46 COC1=NC=C(C)C=C1C(C)=O 0930AD [0,1,0,0,0,1|1,0,0]=3 91 B12R1.354 COC(=O)C1=C(C)N=CC(N)=C1 5898AC [0,1,0,0,0,1|2,0,0]=4 92 B12R1.354 COC(=O)C1=C(O)N=CC(C)=C1 0273AC [0,1,0,0,0,1|2,0,0]=4 93 B12R1.354 COC(=O)C1=CC(C)=CN=C1F Y3895 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.453 COC1=CC=C(N)C(C(C)=O)=C1 9389AH [0,1,0,0,0,1|2,0,0]=4 95 B12R1.1926 COC(=O)C1=C(OC)C=C(C)S1 9495AA [0,2,0,0,0,0|2,0,0]=4 96 B12R1.313 CCOC(=O)C1=C(Br)OC(C)=N1 W9892 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.313 CCOC(=O)C1=C(C)N=C(C)O1 X5520 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.313 CCOC(=O)C1=C(C)OC(C)=C1 9257AD [0,2,0,0,0,0|0,0,0]=2 99 B12R1.800 CC(=O)C1=C(C)OC(N)=C1C#N 8451AC [0,2,0,0,0,0|1,0,0]=3 100 B10R1.61 CC(=O)C1=C(C)C=CN=C1 1844AB [0,0,1,1,0,0|2,0,0]=4 101 B10R1.64 O=C(O)\C=C1/CCCC1=O 4938AC [0,0,1,1,0,0|1,0,1]=4 102 B10R2.32 O=C1CCC2=CNC=C12 3028AJ [1,0,0,1,0,0|2,0,0]=4 103 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 2348AJ [0,0,0,1,0,1|1,0,0]=3 104 B12R2.612 CC1=CC=C2C(=O)NCC2=C1 3267AJ [0,0,0,1,0,1|2,0,0]=4 105 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 2199AJ [0,0,0,1,0,1|2,0,0]=4 106 B12R2.606 CC1=NN2CCC(=O)NC2=C1 4886AB [0,0,0,1,0,1|2,0,0]=4 107 B12R2.202 CN1C=C2C(=O)CCCC2=N1 0671AA [0,1,0,1,0,0|2,0,0]=4 108 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 6878AC [1,0,0,0,0,1|2,0,0]=4 109 B10R1.8 CC1=NC(C=O)=CC(Cl)=N1 5811AC [1,0,0,0,0,1|2,0,0]=4 110 B10R1.25 CC1=CC(N)=C(C=O)C=C1 1510AJ [1,0,0,0,0,1|2,0,0]=4 111 B10R1.25 CC1=CC=C(C=O)C(N)=N1 Y4511 [1,0,0,0,0,1|2,0,0]=4 112 B10R1.25 CC1=NC=C(C=O)C(N)=N1 Y9951 [1,0,0,0,0,1|2,0,0]=4 113 B10R1.25 COC1=NC=C(C)C=C1C W9915 [1,0,0,0,0,1|2,0,0]=4 114 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [1,0,0,0,0,1|2,0,0]=4 115 B12R1.233 CC(=O)NC1=C(C)C=C(N)C=C1 0120AD [0,0,0,0,0,2|2,0,0]=4 116 B12R1.233 CC(=O)NC1=C(C)C=C(N)N=C1 9416AA [0,0,0,0,0,2|2,0,0]=4 117 B12R1.233 CC(=O)NC1=NC=C(C)C=C1Br Z0184 [0,0,0,0,0,2|2,0,0]=4