0 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 S727 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 CC(Cl)C1=NC2=C(C=CC=C2)N1 6500AD [0,0,0,0,0,0|3,0,1]=4 2 B13R2.435 C[C@@H](N)C1=NC2=C(C=CC=C2)N1 4790AJ [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 C[C@H](N)C1=NC2=C(C=CC=C2)N1 4829AJ [0,0,0,0,0,0|3,0,1]=4 4 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 7065AE [0,0,0,0,0,0|2,0,0]=2 5 B13R2.435 NC(=O)C1=CC2=CC=CN=C2N1 Y8330 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)O1 1563AJ [0,0,0,0,0,0|2,0,1]=3 7 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)S1 Y2101 [0,0,0,0,0,0|2,0,1]=3 8 B13R2.435 NC(=S)C1=CC2=CC=CC=C2N1 7047AE [0,0,0,0,0,0|1,1,0]=2 9 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 5744AB [0,0,0,0,0,0|1,0,0]=1 10 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 8940AC [0,0,0,0,0,0|2,0,0]=2 11 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 3094AA [0,0,0,0,0,0|3,0,0]=3 12 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 9033AF [0,0,0,0,0,0|2,0,0]=2 13 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 6832AC [0,0,0,0,0,0|2,0,0]=2 14 B13R2.435 O=C(O)C1OC2=CC=CC=C2O1 0228AF [0,0,0,0,0,0|2,0,1]=3 15 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 7649AH [0,0,0,0,0,0|1,0,2]=3 16 B13R2.435 O=[N+]([O-])C1=NC2=C(C=CC=C2)N1 8379AB [0,0,0,0,0,0|2,0,1]=3 17 B13R2.435 OB(O)C1=CC2=CC=CC=C2C1 9857AH [0,0,0,0,0,0|2,0,1]=3 18 B12R2.32 C=CC1=NC2=CC=CC=C2N1 4631AD [1,0,0,0,0,0|2,0,0]=3 19 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 8751AA [1,0,0,0,0,0|2,0,1]=4 20 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 4573AB [1,0,0,0,0,0|1,0,1]=3 21 B12R2.32 NCC1=CC2=C(C=CC=C2)S1 8311AH [1,0,0,0,0,0|2,0,1]=4 22 B12R2.32 O=CC1=CC2=NC=CC=C2N1 8910AA [1,0,0,0,0,0|1,0,0]=2 23 B12R2.32 O=CC1=CN2C=CC=NC2=N1 7075AA [1,0,0,0,0,0|2,0,1]=4 24 B12R2.32 OCC1=CC2=CC=CN=C2S1 Y7395 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.32 OCC1=CC2=CC=NC=C2N1 8332AH [1,0,0,0,0,0|1,0,1]=3 26 B12R2.32 OCC1=CN2C=CC=CC2=N1 Y4153 [1,0,0,0,0,0|1,0,2]=4 27 B12R2.32 OCC1=NC2=C(C=CC=N2)N1 8275AD [1,0,0,0,0,0|2,0,1]=4 28 B12R2.32 SCC1=NC2=CC=CC=C2N1 X5686 [1,0,0,0,0,0|1,1,1]=4 29 B14R2.450 CC(=O)C1=C(Br)C2=C(C=CC=C2)O1 4717AF [0,1,0,0,0,0|2,0,0]=3 30 B14R2.450 CC(=O)C1=C(C)C2=CC=CC=C2S1 6310AD [0,1,0,0,0,0|2,0,0]=3 31 B14R2.450 NC(=O)C1=C(Cl)C2=CC=CC=C2S1 Y8230 [0,1,0,0,0,0|2,0,0]=3 32 B14R2.450 NC1=C(C(=O)O)SC2=NC=CN=C21 8328AB [0,1,0,0,0,0|3,0,0]=4 33 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2S1 0811AQ [0,1,0,0,0,0|1,0,0]=2 34 B14R2.450 O=C(O)C1=C(Br)N2C=CC=CC2=N1 4423AB [0,1,0,0,0,0|1,0,1]=3 35 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 9185AD [0,1,0,0,0,0|0,0,0]=1 36 B14R2.789 NC1(C(=O)O)CC2=CC=CC=C2C1 2618AB [0,1,0,0,0,0|1,0,2]=4 37 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)O1 5281AD [0,1,0,0,0,0|1,0,0]=2 38 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 6900AJ [0,1,0,0,0,0|1,0,0]=2 39 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)S1 4840AD [0,1,0,0,0,0|2,0,0]=3 40 B14R2.972 COC(=O)C1=CC2=CC=NC=C2N1 6857AB [0,1,0,0,0,0|1,0,0]=2 41 B14R2.972 COC(=O)C1=CN2C=CC=NC2=N1 8890AC [0,1,0,0,0,0|2,0,1]=4 42 B14R2.972 COC(=O)C1=CN2N=CC=CC2=C1 1630AA [0,1,0,0,0,0|3,0,0]=4 43 B14R2.972 COC(=O)C1=NN2C=CC=NC2=C1 3587AL [0,1,0,0,0,0|2,0,1]=4 44 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)S1 Y7845 [0,1,0,0,0,0|2,0,0]=3 45 B14R2.972 NNC(=O)C1=NC2=C(C=CC=C2)O1 3837AJ [0,1,0,0,0,0|2,0,1]=4 46 B14R2.972 NNC(=O)C1=NC2=CC=CC=C2S1 9221AD [0,1,0,0,0,0|2,0,1]=4 47 B14R2.972 NNC(=O)C1=NN2C=CC=CC2=C1 2546AC [0,1,0,0,0,0|2,0,1]=4 48 B14R2.972 O=C(CBr)C1=CC2=CC=CC=C2O1 Y8375 [0,1,0,0,0,0|2,0,0]=3 49 B14R2.972 O=C(CBr)C1=CC2=CC=CC=C2S1 Y4874 [0,1,0,0,0,0|2,0,0]=3 50 B14R2.972 O=CC(=O)C1=CC2=CC=CC=C2S1 X9194 [0,1,0,0,0,0|1,0,1]=3 51 B14R2.3129 FC(F)(F)C1=CC2=C(C=CC=C2)N1 W6629 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.3129 O=S(=O)(Cl)C1=CC2=CC=CC=C2O1 Y7796 [0,1,0,0,0,0|2,0,1]=4 53 B14R2.4529 CC(=O)C1=CC2=CC(Cl)=CC=C2O1 5282AD [0,1,0,0,0,0|2,0,0]=3 54 B14R2.4529 CC(=O)C1=NC2=CC=C(Cl)C=C2N1 2949AE [0,1,0,0,0,0|2,0,0]=3 55 B14R2.4529 CC(=O)C1=NC2=CC=C(F)C=C2N1 5923AD [0,1,0,0,0,0|2,0,0]=3 56 B14R2.4529 CC(=O)N1C=C2C=C(Br)C=CC2=N1 0738AD [0,1,0,0,0,0|2,0,1]=4 57 B14R2.4529 CC(=O)N1C=C2C=C(I)C=CC2=N1 Y7168 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.4529 CC(O)C1=NC2=C(C=C(Br)C=C2)N1 5245AE [0,1,0,0,0,0|2,0,1]=4 59 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 0613AA [0,1,0,0,0,0|1,0,0]=2 60 B14R2.4529 CC1=CC2=C(C=C1)SC(C(=O)O)=C2 7544AA [0,1,0,0,0,0|1,0,0]=2 61 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 4503AE [0,1,0,0,0,0|1,0,0]=2 62 B14R2.4529 NC(=O)C1=CC2=CC(Br)=CC=C2O1 4400AB [0,1,0,0,0,0|2,0,0]=3 63 B14R2.4529 NC(=O)C1=CC2=CC=C(Br)C=C2N1 2286AF [0,1,0,0,0,0|1,0,0]=2 64 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=C2 X6436 [0,1,0,0,0,0|0,0,0]=1 65 B14R2.4529 NC1=CC=C2OC(C(=O)O)=CC2=C1 W6248 [0,1,0,0,0,0|1,0,0]=2 66 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 6058AB [0,1,0,0,0,0|1,0,0]=2 67 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 W8522 [0,1,0,0,0,0|1,0,0]=2 68 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)S1 6955AA [0,1,0,0,0,0|1,0,0]=2 69 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 6607AA [0,1,0,0,0,0|1,0,0]=2 70 B14R2.4529 O=C(O)C1=CC2=NC(Cl)=CC=C2N1 2495AC [0,1,0,0,0,0|1,0,0]=2 71 B14R2.4529 O=C(O)C1=CN2C=C(I)C=CC2=N1 4139AE [0,1,0,0,0,0|1,0,1]=3 72 B14R2.4529 O=C(O)C1=CN2C=CC(F)=CC2=N1 4469AC [0,1,0,0,0,0|1,0,1]=3 73 B14R2.4529 O=C(O)C1=NC2=CC=C(Cl)N=C2N1 Y6673 [0,1,0,0,0,0|2,0,0]=3 74 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 Y5597 [0,1,0,0,0,0|1,0,1]=3 75 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=NC2=C1 3112AB [0,1,0,0,0,0|2,0,1]=4 76 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 V8531 [0,1,0,0,0,0|1,0,1]=3 77 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=NC2=C1 5314AC [0,1,0,0,0,0|2,0,1]=4 78 B14R2.4529 O=C(O)C1CC2=CC(Cl)=CC=C2O1 4126AB [0,1,0,0,0,0|1,0,2]=4 79 B14R2.4529 O=C(O)C1CC2=CC(O)=CC=C2O1 2685AA [0,1,0,0,0,0|1,0,2]=4 80 B14R2.4529 OB(O)C1=CC2=CC(Br)=CC=C2S1 V8618 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.4529 OB(O)C1=CC2=CC(F)=CC=C2S1 W6555 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.7969 CC(=O)C1=CC2=CC=CC(Br)=C2O1 V6048 [0,1,0,0,0,0|2,0,0]=3 83 B14R2.7969 CC1=C2C=C(C(=O)O)SC2=CC=C1 8952AA [0,1,0,0,0,0|1,0,0]=2 84 B14R2.7969 CC1=C2N=C(C(C)O)NC2=CC=C1 4275AF [0,1,0,0,0,0|2,0,1]=4 85 B14R2.7969 NC(=O)C1=CC2=C(Br)C=CC=C2S1 3517AF [0,1,0,0,0,0|2,0,0]=3 86 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2N1 4752AA [0,1,0,0,0,0|1,0,0]=2 87 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 Y5812 [0,1,0,0,0,0|2,0,0]=3 88 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 8093AD [0,1,0,0,0,0|1,0,0]=2 89 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 3305AB [0,1,0,0,0,0|1,0,0]=2 90 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 3730AA [0,1,0,0,0,0|1,0,0]=2 91 B14R2.7969 O=C(O)C1=CC2=C(I)C=CC=C2S1 2847AJ [0,1,0,0,0,0|1,0,0]=2 92 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 X8568 [0,1,0,0,0,0|2,0,0]=3 93 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=NC=N2 W8981 [0,1,0,0,0,0|3,0,0]=4 94 B14R2.7969 O=C(O)C1=CN2C(Br)=CC=CC2=N1 0641AA [0,1,0,0,0,0|1,0,1]=3 95 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=N1 0640AA [0,1,0,0,0,0|1,0,1]=3 96 B14R2.7969 O=C(O)C1CC2=C(C1)C(O)=CC=C2 8641AA [0,1,0,0,0,0|1,0,2]=4 97 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,0,1,0,0,0|0,0,2]=3 98 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,0,1,0,0,0|0,0,2]=3 99 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [0,0,1,0,0,0|1,0,2]=4 100 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 9377AA [0,0,1,0,0,0|1,0,2]=4 101 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,0,1,0,0,0|1,0,2]=4 102 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O 4348AH [0,0,1,0,0,0|1,0,2]=4 103 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,0,1,0,0,0|1,0,0]=2 104 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [0,0,1,0,0,0|1,0,2]=4 105 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 4193AA [0,0,1,0,0,0|1,0,2]=4 106 B12R1.125 CC1=C(\C=C\C(=O)Cl)C=CC=C1 0318AF [0,0,1,0,0,0|2,0,0]=3 107 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 2200AL [0,0,1,0,0,0|1,0,0]=2 108 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 2079AC [0,0,1,0,0,0|1,0,0]=2 109 B12R1.125 O=C(Cl)\C=C\C1=C(F)C=CC=C1 0985AD [0,0,1,0,0,0|2,0,0]=3 110 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br 0702AF [0,0,1,0,0,0|2,0,0]=3 111 B12R1.125 O=C(O)CNC1=CC=CC=C1F W6767 [0,0,1,0,0,0|1,0,1]=3 112 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 2099AC [0,0,0,0,1,0|3,0,0]=4 113 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 W6794 [0,0,0,0,1,0|2,0,1]=4 114 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 5357AC [0,0,0,0,1,0|2,0,1]=4 115 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [0,0,0,0,1,0|0,0,2]=3 116 B14R2.768 NC(=S)CC1=NC2=C(C=CC=C2)N1 9254AB [0,0,0,0,0,1|2,1,0]=4 117 B14R2.768 O=C(O)C=C1CC2=C(C=CC=C2)C1 4153AJ [0,0,0,0,0,1|1,0,1]=3 118 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 W5438 [0,0,0,0,0,1|0,0,0]=1 119 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 W7417 [0,0,0,0,0,1|1,0,0]=2 120 B14R2.768 O=C(O)CC1=CN2C=CC=NC2=N1 1111AA [0,0,0,0,0,1|2,0,1]=4 121 B14R2.768 O=C(O)CC1=CN2C=CC=NC2=N1 8553AB [0,0,0,0,0,1|2,0,1]=4 122 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2O1 2328AC [0,0,0,0,0,1|1,0,1]=3 123 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 4606AB [0,0,0,0,0,1|2,0,1]=4 124 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 5709AB [0,0,0,0,0,1|2,0,1]=4 125 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=N1 0341AA [0,0,0,0,0,1|1,0,1]=3 126 B14R2.781 CC(=O)C1=NC=C2C=CC=CC2=C1 5399AC [0,0,0,0,0,1|1,0,1]=3 127 B14R2.781 NC(=O)C1=CC=C2C=NC=CC2=C1 4167AJ [0,0,0,0,0,1|3,0,0]=4 128 B14R2.781 NC(=O)C1CC2=CC=CC=C2CN1 2219AA [0,0,0,0,0,1|1,0,2]=4 129 B14R2.781 NC(=O)C1CCC2=C(C=CC=C2)N1 3193AF [0,0,0,0,0,1|1,0,2]=4 130 B14R2.781 NC(=O)C1CNC2=CC=CC=C2O1 Y7462 [0,0,0,0,0,1|2,0,1]=4 131 B14R2.781 NC(=S)C1=CC2=C(C=CC=C2)OC1 Y9082 [0,0,0,0,0,1|2,1,0]=4 132 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 9649AH [0,0,0,0,0,1|1,0,1]=3 133 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 Y5348 [0,0,0,0,0,1|2,0,0]=3 134 B14R2.781 O=C(O)C1=CC2=CN=CN=C2C=C1 0413AC [0,0,0,0,0,1|3,0,0]=4 135 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 V8914 [0,0,0,0,0,1|1,0,1]=3 136 B14R2.781 O=C(O)C1=CC=C2OCC=CC2=C1 7461AB [0,0,0,0,0,1|2,0,1]=4 137 B14R2.781 O=C(O)C1=CN=C2N=CC=CC2=C1 1079AA [0,0,0,0,0,1|1,0,1]=3 138 B14R2.781 O=C(O)C1=CN=C2N=CC=NC2=C1 2280AF [0,0,0,0,0,1|2,0,1]=4 139 B14R2.781 O=C(O)C1=NC2=C(C=CC=N2)C=C1 0957AB [0,0,0,0,0,1|1,0,1]=3 140 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 9090AH [0,0,0,0,0,1|0,0,2]=3 141 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 8936AH [0,0,0,0,0,1|0,0,2]=3 142 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 5715AL [1,0,1,0,0,0|1,0,1]=4 143 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2381AJ [1,0,1,0,0,0|2,0,0]=4 144 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2382AJ [1,0,1,0,0,0|2,0,0]=4 145 B11R1.91 NC(=O)CNC1=CC=CC=C1 V4420 [1,0,1,0,0,0|1,0,1]=4 146 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [1,0,1,0,0,0|1,0,1]=4 147 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 0445AC [1,0,1,0,0,0|1,0,1]=4 148 B11R1.17 O=C\C=C\C1=CC=CC=C1Br Z3541 [1,0,1,0,0,0|1,0,0]=3 149 B11R1.17 O=C\C=C\C1=CC=CC=C1F Z3547 [1,0,1,0,0,0|1,0,0]=3 150 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 1677AA [2,0,0,0,0,0|2,0,0]=4 151 B11R2.10 CC1=CC2=C(C=CC=C2)O1 X5959 [2,0,0,0,0,0|1,0,1]=4 152 B11R2.10 CC1=CC2=NC=CC=C2N1 W8141 [2,0,0,0,0,0|1,0,1]=4 153 B11R2.10 IC1=CC2=C(C=CC=C2)S1 7957AJ [2,0,0,0,0,0|2,0,0]=4 154 B11R2.10 IC1=CC2=CC=CC=C2N1 2333AB [2,0,0,0,0,0|1,0,0]=3 155 B11R2.10 IC1=CC2=CC=CN=C2N1 X9534 [2,0,0,0,0,0|2,0,0]=4 156 B11R2.10 O=C1C=C2C=CC=CN2N1 8937AB [2,0,0,0,0,0|1,0,0]=3 157 B11R2.10 O=C1NC2=C(C=NC=C2)O1 0581AC [2,0,0,0,0,0|2,0,0]=4 158 B11R2.10 O=C1OC2=C(C=CC=C2)O1 1033AB [2,0,0,0,0,0|2,0,0]=4 159 B11R2.10 OC1=CC2=CC=CN=C2N1 5064AA [2,0,0,0,0,0|1,0,0]=3 160 B11R2.10 OC1=CN2C=CC=CC2=N1 X9015 [2,0,0,0,0,0|1,0,1]=4 161 B11R2.10 S=C1CC2=C(C=CC=C2)N1 6726AB [2,0,0,0,0,0|0,1,1]=4 162 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 5562AH [0,1,1,0,0,0|0,0,2]=4 163 B13R1.133 NC1=CC=C(NC(=O)C(=O)O)C=C1 8057AF [0,1,1,0,0,0|1,0,0]=3 164 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 2136AB [0,1,1,0,0,0|0,0,2]=4 165 B13R1.135 NNC(=O)C(=O)NC1=CC=CC=C1 4100AE [0,1,1,0,0,0|2,0,0]=4 166 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 Z3666 [0,1,1,0,0,0|0,0,2]=4 167 B13R1.148 NC1=CC=CC(CC(N)C(=O)O)=C1 2723AB [0,1,1,0,0,0|0,0,2]=4 168 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Z3664 [0,1,1,0,0,0|0,0,2]=4 169 B13R1.148 N[C@H](CC1=CC=CC(I)=C1)C(=O)O 4562AA [0,1,1,0,0,0|0,0,2]=4 170 B13R1.148 O=C(O)C(=O)NC1=CC=CC(F)=C1 1494AF [0,1,1,0,0,0|1,0,0]=3 171 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 3650AD [0,1,1,0,0,0|1,0,0]=3 172 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 9490AE [0,1,1,0,0,0|0,0,2]=4 173 B13R1.202 CC1=CC=CC=C1NC(=O)C(=O)O 2766AE [0,1,1,0,0,0|1,0,0]=3 174 B13R1.202 NC(CC1=C(O)C=CC=C1)C(=O)O 1632AB [0,1,1,0,0,0|0,0,2]=4 175 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O W3070 [0,1,1,0,0,0|0,0,2]=4 176 B13R1.202 NC(CC1=CC=CC=C1I)C(=O)O 0209AB [0,1,1,0,0,0|0,0,2]=4 177 B13R1.202 NC1=CC=CC=C1CC(N)C(=O)O 9213AA [0,1,1,0,0,0|0,0,2]=4 178 B13R1.418 N#C\C(=C/C1=CC=CN=C1)C(=O)O 7717AC [0,1,1,0,0,0|1,0,1]=4 179 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O 5357AA [0,1,1,0,0,0|0,0,2]=4 180 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O 9592AA [0,1,1,0,0,0|0,0,2]=4 181 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 5874AA [0,1,1,0,0,0|0,0,2]=4 182 B13R1.90 COC1=C(NCC(=O)O)C=CC=C1 6281AC [0,1,1,0,0,0|0,0,2]=4 183 B13R1.90 COC1=C(\C=C\C(=O)Cl)C=CC=C1 5001AD [0,1,1,0,0,0|2,0,0]=4 184 B13R1.150 O=C(O)\C=C\C1=CC=CC(Br)=C1F Z8343 [0,1,1,0,0,0|1,0,0]=3 185 B13R1.164 O=C(Cl)\C=C\C1=CC=C(Cl)C=C1Cl 2351AE [0,1,1,0,0,0|2,0,0]=4 186 B13R1.893 CC(=O)\C=C\C1=C(F)C=CC(Br)=C1 V9954 [0,1,1,0,0,0|2,0,0]=4 187 B13R1.893 O=C(O)\C=C\C1=C(O)C=CC(O)=C1 7170AE [0,1,1,0,0,0|1,0,0]=3 188 B13R1.893 O=C(O)\C=C\C1=CC(Cl)=CC=C1Cl 7481AC [0,1,1,0,0,0|1,0,0]=3 189 B13R1.3787 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1Cl 7841AD [0,1,1,0,0,0|2,0,0]=4 190 B13R1.3787 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1F 9702AC [0,1,1,0,0,0|2,0,0]=4 191 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1F 2372AE [0,1,1,0,0,0|1,0,0]=3 192 B13R2.43 CC1=CC2=C(C=C1)NC(C=O)=N2 3264AJ [1,1,0,0,0,0|1,0,0]=3 193 B13R2.43 CC1=CC2=C(C=C1)SC(C=O)=C2 8888AD [1,1,0,0,0,0|1,0,0]=3 194 B13R2.43 CC1=CC2=NC(C=O)=CN2C=C1 W4272 [1,1,0,0,0,0|1,0,1]=4 195 B13R2.43 CC1=CC=C2NC(C=O)=NC2=C1 0537AD [1,1,0,0,0,0|1,0,0]=3 196 B13R2.43 CC1=CC=C2NC(CN)=CC2=C1 1657AF [1,1,0,0,0,0|1,0,1]=4 197 B13R2.43 N#CC1=CC2=C(C=CC(Br)=C2)N1 Z5310 [1,1,0,0,0,0|1,0,1]=4 198 B13R2.43 NC1=CC2=C(C=C1)N=C(CO)N2 3001AB [1,1,0,0,0,0|1,0,1]=4 199 B13R2.43 NCC1=CC2=C(C=CC(Cl)=C2)N1 0779AB [1,1,0,0,0,0|1,0,1]=4 200 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)S1 9916AA [1,1,0,0,0,0|1,0,0]=3 201 B13R2.43 O=CC1=CC2=C(C=CC(Cl)=C2)N1 Z2968 [1,1,0,0,0,0|0,0,0]=2 202 B13R2.43 O=CC1=CC2=C(C=CC(Cl)=C2)S1 9146AD [1,1,0,0,0,0|1,0,0]=3 203 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)N1 1193AB [1,1,0,0,0,0|0,0,0]=2 204 B13R2.43 O=CC1=CC2=CC(Br)=CC=C2O1 Y8365 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.43 O=CC1=CC2=CC(Br)=CC=C2S1 1358AC [1,1,0,0,0,0|1,0,0]=3 206 B13R2.43 O=CC1=CN2C=C(Cl)C=CC2=N1 5981AH [1,1,0,0,0,0|1,0,1]=4 207 B13R2.43 O=CC1=CN2C=CC(Br)=CC2=N1 0504AA [1,1,0,0,0,0|1,0,1]=4 208 B13R2.43 O=CC1=NC2=CC(Br)=CC=C2S1 Y5620 [1,1,0,0,0,0|1,0,1]=4 209 B13R2.43 O=CC1=NC2=CC=C(Br)C=C2N1 3440AJ [1,1,0,0,0,0|1,0,0]=3 210 B13R2.43 O=CC1=NC2=CC=C(Cl)C=C2N1 3495AJ [1,1,0,0,0,0|1,0,0]=3 211 B13R2.43 OCC1=CC2=C(C=C(Br)C=C2)S1 4798AB [1,1,0,0,0,0|1,0,1]=4 212 B13R2.43 OCC1=CC2=C(C=CC(Br)=C2)N1 Z2075 [1,1,0,0,0,0|0,0,1]=3 213 B13R2.43 OCC1=CC2=C(C=CC(Cl)=C2)N1 Z2964 [1,1,0,0,0,0|0,0,1]=3 214 B13R2.43 OCC1=CC2=C(C=CC(F)=C2)S1 4056AD [1,1,0,0,0,0|1,0,1]=4 215 B13R2.43 OCC1=CC2=CC(Br)=CC=C2O1 Y8937 [1,1,0,0,0,0|1,0,1]=4 216 B13R2.43 OCC1=CC2=CC(Br)=CC=C2S1 4055AD [1,1,0,0,0,0|1,0,1]=4 217 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 8110AB [1,1,0,0,0,0|1,0,1]=4 218 B13R2.45 CN1C(CO)=CC2=C1C=CC=C2 8337AH [1,1,0,0,0,0|0,0,1]=3 219 B13R2.45 CN1C(CO)=NC2=C1C=CC=C2 9130AE [1,1,0,0,0,0|1,0,1]=4 220 B13R2.45 O=C1C2=C(C=CC=C2)C\C1=N/O V3441 [1,1,0,0,0,0|2,0,0]=4 221 B13R2.45 O=CC1=C(Br)C2=CC=CC=C2S1 0373AQ [1,1,0,0,0,0|1,0,0]=3 222 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 Z5457 [1,1,0,0,0,0|1,0,0]=3 223 B13R2.54 CC1=C2NC(CO)=NC2=CC=C1 9968AA [1,1,0,0,0,0|1,0,1]=4 224 B13R2.54 CC1=CC=CC2=C1NC(C=O)=C2 6013AD [1,1,0,0,0,0|0,0,0]=2 225 B13R2.54 CC1=CC=CN2C=C(C=O)N=C12 W3139 [1,1,0,0,0,0|1,0,1]=4 226 B13R2.54 N#CC1=CC2=C(Br)C=CC=C2N1 6478AC [1,1,0,0,0,0|1,0,1]=4 227 B13R2.54 N#CC1=CC2=C(C=CC=C2Cl)N1 6081AB [1,1,0,0,0,0|1,0,1]=4 228 B13R2.54 O=CC1=CC2=C(Br)C=CC=C2N1 6518AA [1,1,0,0,0,0|0,0,0]=2 229 B13R2.54 O=CC1=CN2C=CC=C(Cl)C2=N1 4225AC [1,1,0,0,0,0|1,0,1]=4 230 B13R2.54 OCC1=CC2=C(C=CC=C2Cl)S1 7362AD [1,1,0,0,0,0|1,0,1]=4 231 B13R2.54 OCC1=CC2=C(F)C=CC=C2S1 4411AF [1,1,0,0,0,0|1,0,1]=4 232 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 3839AB [0,1,0,0,1,0|1,0,0]=3 233 B13R2.531 COC(=O)C1=CC2=C(N1)OC=C2 0320AB [0,1,0,0,1,0|1,0,0]=3 234 B15R2.1569 COC(=O)CC1=NC2=CC=CC=C2O1 4201AJ [0,1,0,0,0,1|1,0,1]=4 235 B15R2.7252 CC1=CC2=NC(CC(=O)O)=CN2C=C1 4326AH [0,1,0,0,0,1|1,0,1]=4 236 B15R2.7252 O=C(O)CC1=NC2=C(C=CC(Cl)=C2)N1 7580AB [0,1,0,0,0,1|1,0,0]=3 237 B15R2.627 NC1=C(C(=O)O)C=NC2=CC=CC=C21 Y9812 [0,1,0,0,0,1|0,0,1]=3 238 B15R2.627 O=C(O)C1=C(Cl)C2=CC=CC=C2N=C1 Y8028 [0,1,0,0,0,1|0,0,1]=3 239 B15R2.627 O=C(O)C1=C(O)C2=NC=CC=C2N=C1 7622AB [0,1,0,0,0,1|1,0,1]=4 240 B15R2.984 CC(=O)C1=CC2=C(C=CN=C2)NC1=O 4994AE [0,1,0,0,0,1|2,0,0]=4 241 B15R2.984 CC1=C(C(=O)O)C=C2C=CC=NC2=N1 X3128 [0,1,0,0,0,1|1,0,1]=4 242 B15R2.984 O=C([O-])C1=CC2=C(C=CC=C2)C=C1O 5918AF [0,1,0,0,0,1|1,0,1]=4 243 B15R2.1601 CCC(=O)C1=CC2=C(C=CC=C2)C=C1 9940AH [0,1,0,0,0,1|2,0,0]=4 244 B15R2.1601 COC(=O)C1=CC=C2C=NC=CC2=N1 0749AE [0,1,0,0,0,1|1,0,1]=4 245 B15R2.1601 COC(=O)C1=CN=C2C=CC=NC2=C1 3332AD [0,1,0,0,0,1|1,0,1]=4 246 B15R2.1601 COC(=O)C1CCC2=C(C=CC=C2)N1 W6149 [0,1,0,0,0,1|0,0,2]=4 247 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 H547 [0,1,0,0,0,1|0,0,2]=4 248 B15R2.1601 COC(=O)[C@H]1CC2=C(C=CC=C2)CN1 4373AH [0,1,0,0,0,1|0,0,2]=4 249 B15R2.1601 NCC(=O)C1=CC2=C(C=CC=C2)C=C1 2045AE [0,1,0,0,0,1|2,0,0]=4 250 B15R2.4441 O=S(=O)(O)C1=NC2=CC=CC=C2C=C1 6534AE [0,1,0,0,0,1|1,0,1]=4 251 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2OC1 2044AE [0,1,0,0,0,1|1,0,0]=3 252 B15R2.7174 O=C(O)C1=CC2=CC(F)=CC=C2N=C1 3026AL [0,1,0,0,0,1|0,0,1]=3 253 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=C1 3671AJ [0,1,0,0,0,1|1,0,0]=3 254 B15R2.7174 O=C(O)C1CC2=C(C=CC(O)=C2)CN1 1973AC [0,1,0,0,0,1|0,0,2]=4 255 B15R2.7180 CC(=O)C1=CC2=C(C=C1)C=C(N)C=C2 X3575 [0,1,0,0,0,1|2,0,0]=4 256 B15R2.7180 CC(=O)C1=CC=C2C=C(O)C=CC2=C1 0992AA [0,1,0,0,0,1|2,0,0]=4 257 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2N=C1 Y5826 [0,1,0,0,0,1|0,0,1]=3 258 B15R2.7180 O=C(O)[C@@H]1CC2=C(C=C(O)C=C2)CN1 Z5747 [0,1,0,0,0,1|0,0,2]=4 259 B15R2.7180 O=C(O)[C@H]1CC2=C(C=C(O)C=C2)CN1 Z5663 [0,1,0,0,0,1|0,0,2]=4 260 B15R2.7180 O=C1C=CC2=C(C=CC(C(=O)O)=C2)N1 0944AC [0,1,0,0,0,1|2,0,0]=4 261 B15R2.13598 CC1=C2N=CC(C(=O)O)=CC2=CC=C1 3100AL [0,1,0,0,0,1|0,0,1]=3 262 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)C=CN2 6291AC [0,1,0,0,0,1|2,0,0]=4 263 B15R2.13598 O=C(O)C1=CC2=CC=CC(Cl)=C2N=C1 1020AC [0,1,0,0,0,1|0,0,1]=3 264 B15R2.13598 O=C(O)C1=CC2=NC=CC(O)=C2C=C1 Z3905 [0,1,0,0,0,1|2,0,0]=4 265 B15R2.13598 O=C(O)C1=CN=C2C(Br)=CC=CC2=C1 W5633 [0,1,0,0,0,1|0,0,1]=3 266 B15R2.14951 CN1CC(C(=O)O)OC2=CC=CC=C21 Y8234 [0,1,0,0,0,1|1,0,1]=4 267 B15R2.14951 NC1=C2C=CC=CC2=NC(C(=O)O)=C1 7924AA [0,1,0,0,0,1|0,0,1]=3 268 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 5154AJ [0,1,0,0,0,1|0,0,0]=2 269 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(Br)=C1 0685AB [0,1,0,0,0,1|0,0,1]=3 270 B15R2.14951 O=C1NC(C(=O)O)CC2=C1C=CC=C2 7169AE [0,1,0,0,0,1|0,0,2]=4 271 B15R2.61353 O=C(O)C1=CC2=C(Br)C=CC=C2OC1 1826AF [0,1,0,0,0,1|1,0,0]=3 272 B15R2.61353 O=C(O)C1=CC2=C(C=CN=C2O)C=C1 5533AA [0,1,0,0,0,1|2,0,0]=4 273 B15R2.61353 O=C(O)C1=CC=C2C=NC=C(Br)C2=N1 Z4364 [0,1,0,0,0,1|1,0,1]=4 274 B15R2.630 CN1C2=CC=CC=C2N=C1S(=O)(=O)O Y9450 [0,2,0,0,0,0|2,0,0]=4 275 B15R2.1592 CC1=C(C(=O)NN)OC2=C1C=CC=C2 5128AE [0,2,0,0,0,0|2,0,0]=4 276 B15R2.1592 COC(=O)C1=C(Br)C2=C(C=CC=C2)N1 W4554 [0,2,0,0,0,0|0,0,0]=2 277 B15R2.1592 COC(=O)C1=C(C)C2=CC=CC=C2O1 0626AB [0,2,0,0,0,0|1,0,0]=3 278 B15R2.1592 COC(=O)C1=C(Cl)C2=CC=CC=C2S1 Y8229 [0,2,0,0,0,0|1,0,0]=3 279 B15R2.1592 COC(=O)C1=C(I)C2=C(C=CC=C2)N1 V6463 [0,2,0,0,0,0|0,0,0]=2 280 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=C2)N1 4282AD [0,2,0,0,0,0|0,0,0]=2 281 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CN=C2)S1 2022AA [0,2,0,0,0,0|2,0,0]=4 282 B15R2.1592 COC(=O)C1=C(N)C2=NC=CC=C2S1 Y5197 [0,2,0,0,0,0|2,0,0]=4 283 B15R2.1592 COC(=O)C1=C(O)C2=CC=CC=C2S1 Y7396 [0,2,0,0,0,0|1,0,0]=3 284 B15R2.1592 COC(=O)C1=NC2=CC=CC=C2N1C 2799AB [0,2,0,0,0,0|1,0,0]=3 285 B15R2.1592 COC(=O)C1CC2=CC=CC=C2C1=O Y1826 [0,2,0,0,0,0|1,0,1]=4 286 B15R2.4190 O=CC1=C(C(=O)O)NC2=CC=CC=C21 9186AD [0,2,0,0,0,0|0,0,0]=2 287 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(Cl)C=C2 5258AD [0,2,0,0,0,0|0,0,0]=2 288 B15R2.7203 CC1=C(C(=O)O)NC2=CC=C(Br)C=C21 8384AE [0,2,0,0,0,0|0,0,0]=2 289 B15R2.7203 CC1=C(C(=O)O)OC2=C1C=C(F)C=C2 0109AF [0,2,0,0,0,0|1,0,0]=3 290 B15R2.7203 CC1=CC=C2C=C(C(=O)O)N(C)C2=C1 2284AF [0,2,0,0,0,0|0,0,0]=2 291 B15R2.7203 CC1=CN2C(=NC(C(=O)O)=C2C)C=C1 2608AA [0,2,0,0,0,0|1,0,1]=4 292 B15R2.7203 CN1C(B(O)O)=CC2=C1C=C(Cl)C=C2 V9781 [0,2,0,0,0,0|1,0,1]=4 293 B15R2.7203 O=C(O)C1=C(Br)C2=C(C=CC(Br)=C2)N1 4630AF [0,2,0,0,0,0|0,0,0]=2 294 B15R2.9921 CC1=C(C(=O)O)N(C)C2=CC=CC=C21 6932AD [0,2,0,0,0,0|0,0,0]=2 295 B15R2.9921 CN1C2=C(C=CC=C2)C(Br)=C1C(=O)O 4323AE [0,2,0,0,0,0|0,0,0]=2 296 B15R2.13463 CC1=C(C(=O)O)NC2=C(Cl)C=CC=C12 5259AD [0,2,0,0,0,0|0,0,0]=2 297 B15R2.13463 CC1=C2C=C(C(=O)O)N(C)C2=CC=C1 8092AD [0,2,0,0,0,0|0,0,0]=2 298 B15R2.13463 CC1=C2OC(C(=O)O)=C(C)C2=CC=C1 5405AD [0,2,0,0,0,0|1,0,0]=3 299 B15R2.13463 CN1C(C(=O)O)=CC2=C(Cl)C=CC=C21 8091AD [0,2,0,0,0,0|0,0,0]=2 300 B15R2.13629 CC1=C2C(=CC=C1)C=C(C(=O)O)N2C 0872AF [0,2,0,0,0,0|0,0,0]=2 301 B15R2.13629 CC1=CC=CC2=C1C(Cl)=C(C(=O)O)S2 3287AF [0,2,0,0,0,0|1,0,0]=3 302 B15R2.13629 CN1C(C(=O)O)=CC2=CC=CC(Cl)=C21 8471AC [0,2,0,0,0,0|0,0,0]=2 303 B15R2.13629 O=C(O)C1=C(Cl)C2=C(C=CC=C2Br)S1 3420AF [0,2,0,0,0,0|1,0,0]=3 304 B15R2.13629 O=C(O)C1=C(Cl)C2=C(C=CC=C2Cl)S1 1010AE [0,2,0,0,0,0|1,0,0]=3 305 B15R2.14758 CN1C(C(=O)O)=CC2=CC(Br)=CC=C21 2806AF [0,2,0,0,0,0|0,0,0]=2 306 B15R2.14758 NC1=C(C(=O)O)SC2=C1C=CC(Br)=C2 Y2466 [0,2,0,0,0,0|1,0,0]=3 307 B15R2.14758 O=C(Cl)C1=C(Cl)C2=C(C=C(Br)C=C2)S1 Y1009 [0,2,0,0,0,0|2,0,0]=4 308 B15R2.1356 CCOC(=O)C1=CC2=C(C=CN=C2)N1 Y4124 [0,2,0,0,0,0|1,0,0]=3 309 B15R2.1356 CCOC(=O)C1=CC2=C(N=CC=C2)S1 6467AE [0,2,0,0,0,0|2,0,0]=4 310 B15R2.1356 CCOC(=O)C1=CC2=CN=CC=C2N1 9887AH [0,2,0,0,0,0|1,0,0]=3 311 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 8482AD [0,2,0,0,0,0|1,0,1]=4 312 B15R2.1356 CCOC(=O)C1=NC2=CC=CC=C2O1 2594AB [0,2,0,0,0,0|1,0,1]=4 313 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)O1 3173AE [0,2,0,0,0,0|1,0,0]=3 314 B15R2.1590 COC(=O)C1=CC2=C(C=C(Cl)C=C2)O1 0203AE [0,2,0,0,0,0|1,0,0]=3 315 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)O1 2208AB [0,2,0,0,0,0|1,0,0]=3 316 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Cl)=C2)S1 1301AE [0,2,0,0,0,0|1,0,0]=3 317 B15R2.1590 COC(=O)C1=CC2=C(C=CC(F)=C2)N1 W3642 [0,2,0,0,0,0|0,0,0]=2 318 B15R2.1590 COC(=O)C1=CC2=C(C=CC(N)=C2)O1 3836AH [0,2,0,0,0,0|1,0,0]=3 319 B15R2.1590 COC(=O)C1=CC2=C(N=CC(Br)=C2)N1 2742AD [0,2,0,0,0,0|1,0,0]=3 320 B15R2.1590 COC(=O)C1=CC2=C(N=CC(N)=C2)N1 4296AJ [0,2,0,0,0,0|1,0,0]=3 321 B15R2.1590 COC(=O)C1=CC2=CC(N)=CC=C2S1 W4346 [0,2,0,0,0,0|1,0,0]=3 322 B15R2.1590 COC(=O)C1=CC2=CC=C(C)C=C2N1 6172AD [0,2,0,0,0,0|0,0,0]=2 323 B15R2.1590 COC(=O)C1=CC2=CC=C(F)C=C2N1 6514AA [0,2,0,0,0,0|0,0,0]=2 324 B15R2.1590 COC(=O)C1=CC2=CC=C(N)C=C2N1 8507AA [0,2,0,0,0,0|0,0,0]=2 325 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Br)=C2)O1 6440AC [0,2,0,0,0,0|1,0,1]=4 326 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Cl)=C2)O1 2595AB [0,2,0,0,0,0|1,0,1]=4 327 B15R2.1590 O=C(CBr)C1=CC2=CC(Br)=CC=C2O1 Y9872 [0,2,0,0,0,0|2,0,0]=4 328 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2N1 3718AC [0,2,0,0,0,0|1,0,0]=3 329 B15R2.1598 COC(=O)C1=CC2=C(Br)N=CC=C2N1 3765AC [0,2,0,0,0,0|1,0,0]=3 330 B15R2.1598 COC(=O)C1=CC2=C(C)C=CC=C2S1 7237AA [0,2,0,0,0,0|1,0,0]=3 331 B15R2.1598 COC(=O)C1=CC2=C(C=CN=C2Cl)N1 V7299 [0,2,0,0,0,0|1,0,0]=3 332 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=CN=C2N1 W8944 [0,2,0,0,0,0|1,0,0]=3 333 B15R2.1598 COC(=O)C1=CC2=C(I)C=CC=C2S1 2846AJ [0,2,0,0,0,0|1,0,0]=3 334 B15R2.1598 COC(=O)C1=CC2=C(N1)C(Br)=CC=C2 X9130 [0,2,0,0,0,0|0,0,0]=2 335 B15R2.1598 COC(=O)C1=CC2=C(N1)C(C)=CC=C2 5363AD [0,2,0,0,0,0|0,0,0]=2 336 B15R2.1598 COC(=O)C1=CC2=C(S1)C(Br)=CC=C2 8024AB [0,2,0,0,0,0|1,0,0]=3 337 B15R2.1598 COC(=O)C1=CC2=C(S1)C(Cl)=CC=C2 8026AB [0,2,0,0,0,0|1,0,0]=3 338 B15R2.1598 COC(=O)C1=CC2=C(S1)C(Cl)=CC=C2 8027AB [0,2,0,0,0,0|1,0,0]=3 339 B15R2.1598 COC(=O)C1=CC2=C(S1)C(F)=CC=C2 8025AB [0,2,0,0,0,0|1,0,0]=3 340 B15R2.1598 COC(=O)C1=CC2=CC=CC(F)=C2N1 2546AA [0,2,0,0,0,0|0,0,0]=2 341 B15R2.1598 COC(=O)C1=CN2C(Br)=CC=CC2=N1 8586AC [0,2,0,0,0,0|1,0,1]=4 342 B15R2.1598 COC(=O)C1=NC2=C(N)C=CC=C2O1 4268AJ [0,2,0,0,0,0|1,0,1]=4 343 B15R2.1102 O=C(O)C1=CC2=C(C=C(Cl)C(Br)=C2)N1 5857AC [0,2,0,0,0,0|0,0,0]=2 344 B15R2.4834 CCC1=CC2=C(C=C1)NC(C(=O)O)=C2 5845AH [0,2,0,0,0,0|0,0,0]=2 345 B15R2.4834 COC1=CC2=C(C=C1)SC(C(=O)O)=N2 5027AC [0,2,0,0,0,0|1,0,1]=4 346 B15R2.4834 COC1=CC=C2NC(C(=O)O)=NC2=C1 Y5639 [0,2,0,0,0,0|1,0,0]=3 347 B15R2.4834 COC1=CC=C2OC(C(=O)O)=NC2=C1 X5071 [0,2,0,0,0,0|1,0,1]=4 348 B15R2.4834 N#CC1=CC2=C(C=C1)NC(B(O)O)=C2 X2608 [0,2,0,0,0,0|1,0,1]=4 349 B15R2.7254 CC1=C(F)C=CC2=C1NC(C(=O)O)=C2 1643AF [0,2,0,0,0,0|0,0,0]=2 350 B15R2.7254 CC1=C2NC(C(=O)O)=CC2=CC=C1Cl 2119AE [0,2,0,0,0,0|0,0,0]=2 351 B15R2.7254 O=C(O)C1=CC2=C(N1)C(Cl)=C(Cl)C=C2 V5623 [0,2,0,0,0,0|0,0,0]=2 352 B15R2.15633 CC1=CC(Cl)=CC2=C1NC(C(=O)O)=C2 V3582 [0,2,0,0,0,0|0,0,0]=2 353 B15R2.15633 CC1=CC2=C(NC(C(=O)O)=C2)C(C)=C1 V4458 [0,2,0,0,0,0|0,0,0]=2 354 B15R2.15633 O=C(O)C1=CC2=C(C=C(F)C=C2Cl)N1 V5626 [0,2,0,0,0,0|0,0,0]=2 355 B15R2.15633 O=C(O)C1=CN2C=C(Cl)C=C(Br)C2=N1 Z6204 [0,2,0,0,0,0|1,0,1]=4 356 B15R2.20824 COC1=CC=CC2=C1NC(C(=O)O)=C2 1875AB [0,2,0,0,0,0|0,0,0]=2 357 B13R2.369 CC1=C(N)C=C2C=CC=CC2=N1 W4438 [0,0,1,1,0,0|2,0,0]=4 358 B13R2.369 NC1=CC2=CC=CC=C2C=C1I 9743AC [0,0,1,1,0,0|2,0,0]=4 359 B13R2.369 O=C1NC2=CC=CC=C2C=C1Br 6011AC [0,0,1,1,0,0|2,0,0]=4 360 B13R2.369 O=C1NC2=CC=CC=C2C=C1Cl 6012AC [0,0,1,1,0,0|2,0,0]=4 361 B13R2.369 O=C1NC2=CC=CC=C2C=C1O 8747AD [0,0,1,1,0,0|2,0,0]=4 362 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 1581AE [0,0,1,1,0,0|1,0,1]=4 363 B13R2.5179 NC1=C2C=CC(O)=CC2=CC=C1 6750AL [0,0,1,1,0,0|1,0,0]=3 364 B13R2.5179 NC1=CC=CC2=C1N=CC(=O)N2 0126AA [0,0,1,1,0,0|2,0,0]=4 365 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 W6445 [0,0,1,1,0,0|1,0,1]=4 366 B13R2.5569 O=C(O)C1=NC=CC2=C1NC=C2 6235AC [0,0,1,1,0,0|1,0,1]=4 367 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 Z5933 [0,0,1,0,1,0|1,0,1]=4 368 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,0,1,0,1,0|2,0,0]=4 369 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,0,1,0,1,0|1,0,1]=4 370 B11R1.86 NC1=NC=CC=C1CC(=O)O 0495AA [0,0,1,0,1,0|1,0,1]=4 371 B11R1.90 CC1=C(\C=C\C(=O)O)SC=C1 2184AC [0,0,1,0,1,0|2,0,0]=4 372 B11R2.988 OCC1=CC2=CC=CC=C21 K959 [1,0,0,0,1,0|0,0,1]=3 373 B13R1.348 C\C(=C/C1=CC=CC=C1)CC(N)=O 5994AL [0,0,1,0,0,1|2,0,0]=4 374 B13R2.57 C=CC1=CC=C2C=CC=CC2=N1 Y4059 [1,0,0,0,0,1|1,0,1]=4 375 B13R2.57 O=CC1=CC2=C(C=CC=N2)N=C1 4506AF [1,0,0,0,0,1|1,0,1]=4 376 B13R2.57 O=CC1=CC2=CN=CC=C2C=C1 W8938 [1,0,0,0,0,1|2,0,0]=4 377 B13R2.57 O=CC1=CC=C2C=NC=CC2=C1 Y5303 [1,0,0,0,0,1|2,0,0]=4 378 B13R2.57 OCC1=NC2=C(C=CC=C2)C=C1 2320AB [1,0,0,0,0,1|0,0,2]=4 379 B15R2.1660 O=C(O)CCC1=CC2=CC=CC=C2S1 0954AQ [0,0,0,0,0,2|1,0,0]=3 380 B15R2.1660 O=C(O)CCC1=CN2C=CC=CC2=N1 4578AC [0,0,0,0,0,2|1,0,1]=4 381 B15R2.1660 O=C(O)CCC1=NC2=CC=CC=C2O1 2329AC [0,0,0,0,0,2|1,0,1]=4 382 B15R2.1660 O=C(O)CSC1=NC2=C(C=CC=C2)O1 6002AE [0,0,0,0,0,2|1,0,1]=4 383 B15R2.1660 O=C(O)\C=C\C1=CC2=C(C=CC=C2)O1 1066AL [0,0,0,0,0,2|1,0,0]=3 384 B15R2.1668 O=C(O)C[C@@H]1CC2=CC=CC=C2CN1 2508AB [0,0,0,0,0,2|0,0,2]=4