0 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 7894AE [0,0,0,0,0,0|2,0,0]=2 1 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 5340AB [0,0,0,0,0,0|2,0,2]=4 2 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 2023AC [0,0,0,0,0,0|3,0,1]=4 3 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 V5239 [0,1,0,0,0,0|2,0,0]=3 4 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 W8639 [0,1,0,0,0,0|2,0,0]=3 5 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 6925AC [0,1,0,0,0,0|2,0,0]=3 6 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 W5490 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O Q871 [0,0,1,0,0,0|0,0,2]=3 8 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O C958 [0,0,1,0,0,0|2,0,1]=4 9 B11R1.35 O=C(O)C(=O)NC1=NC=CS1 8166AE [0,0,1,0,0,0|2,0,0]=3 10 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=C2 Y9359 [0,0,0,0,0,1|3,0,0]=4 11 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=N2 5034AC [0,0,0,0,0,1|3,0,0]=4 12 B13R2.430 CC(=O)C1=CN=C2NC=CC2=C1 6212AC [0,0,0,0,0,1|2,0,1]=4 13 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 W7384 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 W4831 [0,0,0,0,0,1|2,0,1]=4 15 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 1004AA [0,0,0,0,0,1|3,0,0]=4 16 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 Y9721 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 4902AC [0,0,0,0,0,1|1,0,1]=3 18 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 Y4055 [0,0,0,0,0,1|1,1,0]=3 19 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 Z4196 [0,0,0,0,0,1|2,1,0]=4 20 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 Y7487 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.430 O=C(O)C1=CN=C2C=CNC2=C1 Z7394 [0,0,0,0,0,1|2,0,0]=3 22 B13R2.430 O=C(O)C1=NC2=C(C=C1)N=CN2 0517AA [0,0,0,0,0,1|2,0,1]=4 23 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 Z4742 [0,0,0,0,0,1|2,0,0]=3 24 B13R2.435 NC(=O)C1=NC2=CC=CC=C2N1 Z4905 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 1053AE [0,0,0,0,0,1|2,0,0]=3 26 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 W8524 [0,0,0,0,0,1|1,0,0]=2 27 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 Y8409 [0,0,0,0,0,1|1,0,0]=2 28 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 X8567 [0,0,0,0,0,1|1,0,0]=2 29 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 5274AC [0,0,0,0,0,1|1,0,0]=2 30 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 X9960 [0,0,0,0,0,1|1,0,0]=2 31 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 Y7817 [0,0,0,0,0,1|1,0,0]=2 32 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 W7638 [0,0,0,0,0,1|2,0,1]=4 33 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 9936AB [0,0,0,0,0,1|2,0,1]=4 34 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 W8372 [0,0,0,0,0,1|2,0,1]=4 35 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 Y5294 [0,0,0,0,0,1|2,0,1]=4 36 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 Y4224 [0,0,0,0,0,1|2,0,0]=3 37 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 W7527 [0,0,0,0,0,1|2,0,1]=4 38 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 V5588 [0,0,0,0,0,1|2,0,1]=4 39 B10R1.66 CC(=O)\C=C\C1=CC=CS1 Z2375 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.66 O=C(O)CNC1=CSC=C1 Z5613 [1,0,1,0,0,0|1,0,1]=4 41 B10R1.66 O=C(O)\C=C\C1=CN=CN1 1164AA [1,0,1,0,0,0|2,0,0]=4 42 B10R1.66 O=C(O)\C=C\C1=COC=C1 5128AB [1,0,1,0,0,0|0,1,0]=3 43 B10R1.31 O=CC1=CC=C(C(=O)O)N1 1060AC [1,0,1,0,0,0|1,0,0]=3 44 B10R1.31 O=CC1=CC=C(C(=O)O)S1 Z2524 [1,0,1,0,0,0|2,0,0]=4 45 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 Z4494 [0,1,0,0,0,1|2,0,0]=4 46 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 8257AE [0,1,0,0,0,1|2,0,0]=4 47 B14R2.601 O=C(O)C1=CC=C2N=C(Br)SC2=C1 W4624 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.601 O=C(O)C1=CC=C2N=C(Cl)SC2=C1 W5926 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=C2 1746AA [0,1,0,0,0,1|1,1,0]=4 50 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=N2 6537AB [0,1,0,0,0,1|2,0,0]=4 51 B14R2.966 COC(=O)C1=CC2=C(C=CN2)N=C1 7366AC [0,1,0,0,0,1|2,0,0]=4 52 B14R2.966 COC(=O)C1=CC=C2C=CNC2=N1 4847AA [0,1,0,0,0,1|1,0,1]=4 53 B14R2.966 COC(=O)C1=CC=C2N=CSC2=C1 1479AC [0,1,0,0,0,1|2,0,0]=4 54 B14R2.966 O=C(CBr)C1=CC=C2SC=CC2=C1 Y7092 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.5719 CN1C=CC2=C1C=CC(C(=O)O)=C2 Y8076 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1Cl W9523 [0,1,0,0,0,1|1,0,1]=4 57 B14R2.5998 O=C(O)C1=CN=C2SC=CN2C1=O V6367 [0,1,0,0,0,1|1,0,1]=4 58 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 0916AE [0,1,0,0,0,1|2,0,0]=4 59 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 8267AC [0,1,0,0,0,1|1,0,0]=3 60 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 W5138 [0,1,0,0,0,1|1,0,0]=3 61 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2S1 Z2721 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CN=C2S1 5982AC [0,1,0,0,0,1|2,0,0]=4 63 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 W7131 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2N1 4461AE [0,1,0,0,0,1|2,0,0]=4 65 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 W3994 [0,1,0,0,0,1|1,0,0]=3 66 B14R2.4529 CC1=CC2=C(C=C1)N=C(C(=O)O)N2 6977AC [0,1,0,0,0,1|2,0,0]=4 67 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=C1 3047AL [0,1,0,0,0,1|2,0,0]=4 68 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 V0523 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 3892AB [0,1,0,0,0,1|2,0,0]=4 70 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 N496 [0,1,0,0,0,1|1,0,0]=3 71 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 0849AC [0,1,0,0,0,1|2,0,0]=4 72 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 W8527 [0,1,0,0,0,1|1,0,0]=3 73 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Cl)=C2)N1 W8526 [0,1,0,0,0,1|1,0,0]=3 74 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 Y6829 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 Y9936 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 4229AA [0,1,0,0,0,1|1,0,0]=3 77 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 W8528 [0,1,0,0,0,1|1,0,0]=3 78 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 5556AC [0,1,0,0,0,1|1,0,0]=3 79 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2O1 8211AB [0,1,0,0,0,1|2,0,0]=4 80 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 Z5480 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2S1 2202AB [0,1,0,0,0,1|2,0,0]=4 82 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 Y4125 [0,1,0,0,0,1|1,0,0]=3 83 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2O1 2201AB [0,1,0,0,0,1|2,0,0]=4 84 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)N1 9355AF [0,1,0,0,0,1|2,0,0]=4 85 B14R2.7969 CC1=C2N=C(C(=O)O)NC2=CC=C1 W7786 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 W3993 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 V0127 [0,1,0,0,0,1|1,0,0]=3 88 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 X5893 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)N1 Y3253 [0,1,0,0,0,1|1,0,0]=3 90 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 W6036 [0,1,0,0,0,1|1,0,0]=3 91 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 W3636 [0,1,0,0,0,1|1,0,0]=3 92 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=CC=C2 2891AB [0,1,0,0,0,1|1,0,0]=3 93 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H127 [0,1,0,0,0,1|1,0,0]=3 94 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 V6570 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 9917AA [0,1,0,0,0,1|2,0,0]=4 96 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 W9314 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2S1 8028AB [0,1,0,0,0,1|2,0,0]=4 98 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)S1 0318AB [0,2,0,0,0,0|2,0,0]=4 99 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=C2 1382AE [0,2,0,0,0,0|0,0,0]=2 100 B12R2.1362 O=C(O)C1=CN=C2SC=CN12 W3878 [0,0,1,1,0,0|1,0,0]=3 101 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 Z5876 [0,0,1,0,1,0|1,0,1]=4 102 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 Z5936 [0,0,1,0,1,0|1,0,1]=4 103 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 4423AH [0,0,1,0,0,1|0,0,2]=4 104 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 Z3568 [0,0,1,0,0,1|2,0,0]=4 105 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 7137AA [0,0,1,0,0,1|2,0,0]=4 106 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 3449AD [0,0,1,0,0,1|1,0,0]=3 107 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 Y9672 [1,0,0,0,0,1|1,0,0]=3 108 B12R2.32 O=CC1=CC2=CC=CN=C2N1 Y8980 [1,0,0,0,0,1|1,0,0]=3 109 B12R2.32 O=CC1=CC2=CC=CN=C2S1 Y9351 [1,0,0,0,0,1|2,0,0]=4 110 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 W4805 [1,0,0,0,0,1|1,0,1]=4 111 B12R2.44 O=CC1=CC=C2N=CSC2=C1 W4229 [1,0,0,0,0,1|2,0,0]=4 112 B12R2.44 O=CC1=CC=C2OC=CC2=C1 V2417 [1,0,0,0,0,1|1,1,0]=4 113 B12R2.44 O=CC1=CC=C2SC=CC2=C1 Y6790 [1,0,0,0,0,1|1,0,0]=3 114 B12R2.44 O=CC1=CC=C2SC=NC2=C1 W5978 [1,0,0,0,0,1|2,0,0]=4 115 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 X8858 [0,0,0,0,0,2|2,0,0]=4 116 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 Y5163 [0,0,0,0,0,2|2,0,0]=4 117 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=N1 W4186 [0,0,0,0,0,2|1,0,1]=4 118 B14R2.1008 O=C(O)CC1=CC2=C(C=CN2)C=C1 Z4698 [0,0,0,0,0,2|2,0,0]=4 119 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 1792AC [0,0,0,0,0,2|2,0,0]=4