0 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 2448AL [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 CN1C(=S)NC2=CC=CC=C21 0345AQ [0,0,0,0,0,0|2,1,0]=3 2 B12R2.18 CN1C(=S)SC2=CC=CC=C21 Z2745 [0,0,0,0,0,0|3,1,0]=4 3 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O 8643AA [0,0,0,0,0,0|3,0,1]=4 4 B12R2.18 O=C1NC2=CC=CN=C2C1=O 9886AH [0,0,0,0,0,0|3,0,1]=4 5 B12R2.18 O=C1NC2=NC=CC=C2C1=O Y5473 [0,0,0,0,0,0|1,0,1]=2 6 B12R2.18 O=C1OC2=CC=CC=C2C1Br 0372AQ [0,0,0,0,0,0|4,0,0]=4 7 B11R2.1 BrC1=CNC2=C1N=CC=N2 W6987 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 BrC1=NNC2=NC=CC=C12 Z2701 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 CN1C=NC2=NC=CC=C21 W6041 [1,0,0,0,0,0|1,0,1]=3 10 B11R2.1 ClC1=CNC2=NC=CC=C12 Y5559 [1,0,0,0,0,0|2,0,0]=3 11 B11R2.1 ClC1=NNC2=C1C=CC=N2 2394AL [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 O=C1NNC2=NC=CC=C12 Z4567 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.1 OC1COC2=C1C=CC=N2 7095AA [1,0,0,0,0,0|2,0,1]=4 14 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 1677AA [1,0,0,0,0,0|2,0,0]=3 15 B11R2.10 BrC1=CC2=NC=CC=C2S1 6065AC [1,0,0,0,0,0|3,0,0]=4 16 B11R2.10 BrC1=NC2=NC=NC=C2N1 2640AB [1,0,0,0,0,0|2,0,1]=4 17 B11R2.10 CC1=CC2=NC=CC=C2N1 W8141 [1,0,0,0,0,0|2,0,0]=3 18 B11R2.10 CC1=NC2=C(N=CN=C2)N1 Z5362 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.10 ClC1=NC2=CC=CN=C2O1 8050AA [1,0,0,0,0,0|2,0,1]=4 20 B11R2.10 ClC1=NC2=NC=CC=C2O1 0645AP [1,0,0,0,0,0|2,0,1]=4 21 B11R2.10 ClC1=NC2=NC=CC=C2S1 3260AA [1,0,0,0,0,0|2,0,1]=4 22 B11R2.10 IC1=CC2=CC=CC=C2N1 2333AB [1,0,0,0,0,0|3,0,0]=4 23 B11R2.10 IC1=CC2=CC=CN=C2N1 X9534 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.10 NC1=NC2=C(C=CC=N2)S1 6382AA [1,0,0,0,0,0|2,0,1]=4 25 B11R2.10 NC1=NC2=C(C=NC=N2)N1 0404AB [1,0,0,0,0,0|2,0,1]=4 26 B11R2.10 NC1=NC2=C(N=CC=C2)S1 3479AB [1,0,0,0,0,0|2,0,1]=4 27 B11R2.10 NC1=NC2=NC=CC=C2O1 V5829 [1,0,0,0,0,0|2,0,1]=4 28 B11R2.10 O=C1C=C2C=CC=CN2N1 8937AB [1,0,0,0,0,0|3,0,0]=4 29 B11R2.10 O=C1NC2=C(C=NC=C2)O1 0581AC [1,0,0,0,0,0|3,0,0]=4 30 B11R2.10 O=C1OC2=C(C=CC=C2)O1 1033AB [1,0,0,0,0,0|3,0,0]=4 31 B11R2.10 OC1=CC2=CC=CN=C2N1 5064AA [1,0,0,0,0,0|1,0,1]=3 32 B11R2.10 S=C1CC2=C(C=CC=C2)N1 6726AB [1,0,0,0,0,0|2,1,0]=4 33 B13R2.135 CC1=C(C=O)C2=CC=CN=C2N1 Z5200 [0,1,0,0,0,0|2,0,1]=4 34 B13R2.135 NCC1C(=O)NC2=C1C=CC=C2 3127AA [0,1,0,0,0,0|3,0,0]=4 35 B13R2.135 NCC1C(=O)NC2=C1C=CC=C2 5666AB [0,1,0,0,0,0|3,0,0]=4 36 B13R2.359 O=C1NC2=C(C=CC=C2)C1(Cl)Cl 2322AE [0,1,0,0,0,0|3,0,0]=4 37 B13R2.359 O=C1NC2=C(C=CC=N2)C1(Br)Br 2292AA [0,1,0,0,0,0|2,0,0]=3 38 B13R2.3028 NC1=CC2=C(C=C1)NC(=O)C2=O 5907AB [0,1,0,0,0,0|2,0,1]=4 39 B13R2.3028 NC1C(=O)NC2=C1C=C(Cl)C=C2 8726AC [0,1,0,0,0,0|3,0,0]=4 40 B13R2.4856 O=C1NC2=C(C1=O)C(F)=CC=C2 X7069 [0,1,0,0,0,0|2,0,1]=4 41 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 Y8209 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 Y8210 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.5190 CN1C(=O)OC2=CC(N)=CC=C21 4705AF [0,1,0,0,0,0|3,0,0]=4 44 B13R2.5190 O=C1NC2=C(C=CC(I)=C2)C1=O 0637AB [0,1,0,0,0,0|2,0,1]=4 45 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 E850 [0,0,1,0,0,0|3,0,0]=4 46 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,0,1,0,0,0|3,0,0]=4 48 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,0,1,0,0,0|2,0,1]=4 49 B11R1.40 CNC(=S)NC1=CC=CC=C1 S792 [0,0,1,0,0,0|2,1,0]=4 50 B11R1.40 NCC(=O)NC1=CC=CC=C1 4165AE [0,0,1,0,0,0|3,0,0]=4 51 B11R1.41 O=CNC1=CC=CC=C1C=O 2093AB [0,0,1,0,0,0|2,0,1]=4 52 B13R2.328 CC1=NC(=O)NC2=CC=CC=C21 4234AB [0,0,0,0,0,1|3,0,0]=4 53 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 X8934 [0,0,0,0,0,1|3,0,0]=4 54 B13R2.328 NC1CC(=O)NC2=CC=CC=C21 3381AC [0,0,0,0,0,1|3,0,0]=4 55 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 6001AC [0,0,0,0,0,1|3,0,0]=4 56 B13R2.328 O=C1C=C(Cl)C2=CC=CC=C2N1 0335AB [0,0,0,0,0,1|3,0,0]=4 57 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)S1 8603AA [0,0,0,0,0,1|3,0,0]=4 58 B13R2.328 O=C1NC(=O)C2=CC=CN=C2N1 V4300 [0,0,0,0,0,1|1,0,1]=3 59 B13R2.328 OC1=CC(Cl)=CC2=C1C=CC=N2 4502AA [0,0,0,0,0,1|3,0,0]=4 60 B13R2.369 CC1OC2=CC=CN=C2NC1=O V4202 [0,0,0,0,0,1|2,0,0]=3 61 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O 2084AJ [0,0,0,0,0,1|2,0,0]=3 62 B13R2.369 NC1CC2=CC=CC=C2NC1=O 2765AE [0,0,0,0,0,1|3,0,0]=4 63 B13R2.369 O=C1NC2=CC=CC=C2C=C1Br 6011AC [0,0,0,0,0,1|3,0,0]=4 64 B13R2.369 O=C1NC2=CC=CC=C2C=C1Cl 6012AC [0,0,0,0,0,1|3,0,0]=4 65 B13R2.369 O=C1NC2=CC=CC=C2C=C1O 8747AD [0,0,0,0,0,1|2,0,0]=3 66 B13R2.369 O=C1NC2=CC=CN=C2NC1=O Z3389 [0,0,0,0,0,1|1,0,1]=3 67 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 1581AE [0,0,0,0,0,1|3,0,0]=4 68 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [1,0,1,0,0,0|1,0,1]=4 69 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [1,0,1,0,0,0|1,0,1]=4 70 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [1,0,1,0,0,0|2,0,0]=4 71 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [1,0,1,0,0,0|2,0,0]=4 72 B10R1.18 NC(=S)NC1=NC=CC=N1 9968AD [1,0,1,0,0,0|1,1,0]=4 73 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [1,0,1,0,0,0|2,0,0]=4 74 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [1,0,1,0,0,0|1,0,0]=3 75 B10R1.18 O=C(O)CC1=NC=CC=N1 W7752 [1,0,1,0,0,0|2,0,0]=4 76 B10R1.4 CCNC1=C(N)C=CC=N1 0189AE [1,0,1,0,0,0|1,0,1]=4 77 B10R1.20 CNC1=C(C=O)C=CC=C1 2162AC [1,0,1,0,0,0|2,0,0]=4 78 B10R1.61 CC(O)C1=CC=CN=C1N 9393AH [1,0,1,0,0,0|1,0,1]=4 79 B10R1.61 C[C@H](O)C1=CC=CN=C1N 5914AC [1,0,1,0,0,0|1,0,1]=4 80 B10R2.7 C1=CC2=C(C=NC=N2)N1 W5032 [2,0,0,0,0,0|2,0,0]=4 81 B10R2.7 C1=CC2=C(C=NN2)N=C1 2555AB [2,0,0,0,0,0|2,0,0]=4 82 B10R2.7 C1=CC2=C(N=C1)N=CN2 2570AB [2,0,0,0,0,0|0,0,1]=3 83 B10R2.7 C1=CC2=C(N=CC=N2)N1 W6419 [2,0,0,0,0,0|2,0,0]=4 84 B10R2.7 C1=CC2=C(N=N1)NC=C2 8552AA [2,0,0,0,0,0|2,0,0]=4 85 B10R2.7 C1=CN=C2CCNC2=C1 1360AJ [2,0,0,0,0,0|1,0,1]=4 86 B10R2.7 C1=CN=C2NC=NC2=N1 Z4536 [2,0,0,0,0,0|1,0,1]=4 87 B10R2.7 C1=CN=C2OC=NC2=C1 7311AJ [2,0,0,0,0,0|1,0,1]=4 88 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 9279AA [0,1,1,0,0,0|1,0,1]=4 89 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,1,1,0,0,0|2,0,0]=4 90 B12R1.49 COC(=O)NC1=NC=C(Br)C=C1 V4263 [0,1,1,0,0,0|2,0,0]=4 91 B12R1.49 O=C(CCl)NC1=NC=C(Cl)C=C1 2853AF [0,1,1,0,0,0|2,0,0]=4 92 B12R1.50 COC(=O)NC1=NC=CC(Cl)=C1 V8751 [0,1,1,0,0,0|2,0,0]=4 93 B12R1.371 NNC(=O)NC1=CC=CC=C1Cl 1456AE [0,1,1,0,0,0|2,0,0]=4 94 B12R1.283 O=CNC1=CC=CC=C1C(=O)O 0547AE [0,1,1,0,0,0|2,0,0]=4 95 B12R2.1 BrCC1=CNC2=NC=CC=C12 2836AA [1,1,0,0,0,0|2,0,0]=4 96 B12R2.132 BrC1=CNC2=C1C=C(I)C=N2 2646AF [1,1,0,0,0,0|2,0,0]=4 97 B12R2.132 FC1=CC2=C(N=C1)NC=C2I 2649AF [1,1,0,0,0,0|2,0,0]=4 98 B12R2.132 NC1=CNC2=C1C=C(Br)C=N2 6896AA [1,1,0,0,0,0|2,0,0]=4 99 B12R2.203 BrC1=CNC2=NC=CC(Br)=C12 0024AA [1,1,0,0,0,0|2,0,0]=4 100 B12R2.203 FC1=C2C(Br)=CNC2=NC=C1 3236AA [1,1,0,0,0,0|2,0,0]=4 101 B12R2.203 NC1=CNC2=NC=CC(Cl)=C12 0028AA [1,1,0,0,0,0|2,0,0]=4 102 B12R2.612 CC1=CC=C2C(Br)=CNC2=N1 0022AA [1,1,0,0,0,0|2,0,0]=4 103 B12R2.612 CC1=CC=C2C(I)=CNC2=N1 0023AA [1,1,0,0,0,0|2,0,0]=4 104 B12R2.612 ClC1=CNC2=C1C=CC(Br)=N2 3239AA [1,1,0,0,0,0|2,0,0]=4 105 B12R2.612 FC1=CC=C2C(I)=CNC2=N1 X9355 [1,1,0,0,0,0|2,0,0]=4 106 B12R2.32 O=CC1=CC2=NC=CC=C2N1 8910AA [1,1,0,0,0,0|1,0,0]=3 107 B12R2.32 OCC1=NC2=C(C=CC=N2)N1 8275AD [1,1,0,0,0,0|0,0,2]=4 108 B12R2.202 CC1=C2NC(=O)CC2=NC=C1 W6992 [1,1,0,0,0,0|1,0,0]=3 109 B12R2.202 CC1=C2NC(=O)NC2=CC=C1 V4053 [1,1,0,0,0,0|1,0,0]=3 110 B12R2.202 CC1=C2NC(=O)SC2=CC=C1 1411AC [1,1,0,0,0,0|2,0,0]=4 111 B12R2.202 CC1=CC=NC2=C1NC(=O)N2 6491AJ [1,1,0,0,0,0|0,0,0]=2 112 B12R2.202 ClC1=CC=NC2=C1C=C(I)N2 W9655 [1,1,0,0,0,0|2,0,0]=4 113 B12R2.202 NC1=CC=CC2=C1NC(=O)N2 2704AA [1,1,0,0,0,0|1,0,0]=3 114 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 Y7437 [1,1,0,0,0,0|2,0,0]=4 115 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 X6198 [1,1,0,0,0,0|1,0,0]=3 116 B12R2.202 O=C1NC2=C(N1)C(Br)=CN=C2 8184AA [1,1,0,0,0,0|2,0,0]=4 117 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 3760AC [1,1,0,0,0,0|2,0,0]=4 118 B12R2.606 BrC1=CN=C2NC(Br)=CC2=C1 Z7227 [1,1,0,0,0,0|2,0,0]=4 119 B12R2.606 CC1=CC2=CC(N)=CN=C2N1 2899AF [1,1,0,0,0,0|2,0,0]=4 120 B12R2.606 CC1=CN=C2CC(=O)NC2=C1 X9359 [1,1,0,0,0,0|1,0,0]=3 121 B12R2.606 CC1=NC2=CC(Br)=CN=C2N1 V5918 [1,1,0,0,0,0|1,0,1]=4 122 B12R2.606 CC1=NC2=CC=C(Br)N=C2N1 Z4419 [1,1,0,0,0,0|1,0,1]=4 123 B12R2.606 CC1=NC2=CC=C(Cl)N=C2N1 Z4716 [1,1,0,0,0,0|1,0,1]=4 124 B12R2.606 NC1=CC=C2NC(=O)SC2=C1 8244AB [1,1,0,0,0,0|2,0,0]=4 125 B12R2.606 O=C1CC2=C(C=C(Cl)C=N2)N1 6528AA [1,1,0,0,0,0|1,0,0]=3 126 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 V2187 [1,1,0,0,0,0|2,0,0]=4 127 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 X9350 [1,1,0,0,0,0|1,0,0]=3 128 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 X6129 [1,1,0,0,0,0|1,0,0]=3 129 B12R2.606 O=C1CC2=NC(Cl)=CC=C2N1 X9963 [1,1,0,0,0,0|1,0,0]=3 130 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 X9354 [1,1,0,0,0,0|1,0,0]=3 131 B12R2.606 O=C1NC2=C(C=C(I)C=C2)O1 6712AD [1,1,0,0,0,0|2,0,0]=4 132 B12R2.606 O=C1NC2=C(N=CC(Cl)=C2)N1 3199AB [1,1,0,0,0,0|0,0,0]=2 133 B12R2.606 O=C1NC2=CC(Br)=CN=C2N1 W3231 [1,1,0,0,0,0|0,0,0]=2 134 B12R2.606 O=C1NC2=CC=C(Cl)N=C2N1 W6141 [1,1,0,0,0,0|0,0,0]=2 135 B12R2.606 O=C1NC2=NC=C(Br)N=C2N1 Z4043 [1,1,0,0,0,0|1,0,0]=3 136 B12R2.606 S=C1NC2=C(C=C(I)C=C2)N1 5061AA [1,1,0,0,0,0|1,1,0]=4 137 B14R2.8045 CC1=CC=CC2=C1NC(=O)C=C2O Z4265 [0,1,0,0,0,1|2,0,0]=4 138 B14R2.29365 CC1=CC=C2C(=O)OC(=O)NC2=N1 6304AD [0,1,0,0,0,1|1,0,1]=4 139 B14R2.1128 N#CC1=CC2=C(N=CC=C2)NC1=O 6535AE [0,1,0,0,0,1|2,0,0]=4 140 B14R2.8239 O=C1NC2=CC(Br)=CN=C2NC1=O W3663 [0,1,0,0,0,1|1,0,1]=4 141 B14R2.517 O=C1NC2=CC=CC=C2N1CCCl 7420AB [0,2,0,0,0,0|2,0,0]=4 142 B14R2.642 CC(C)N1C(=O)NC2=CC=CC=C21 V5468 [0,2,0,0,0,0|2,0,0]=4 143 B14R2.4220 O=C1NC2=C(C=CC=C2F)\C1=N/O V3317 [0,2,0,0,0,0|2,0,0]=4 144 B14R2.19306 O=C1C(=O)N(CO)C2=C1C=CC=C2 4529AE [0,2,0,0,0,0|2,0,0]=4 145 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 5286AB [0,0,1,1,0,0|2,0,0]=4 146 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [0,0,1,1,0,0|2,0,0]=4 147 B12R1.27 NCC(=O)NCC1=NC=CC=C1 1909AD [0,0,1,0,0,1|2,0,0]=4 148 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [0,0,1,0,0,1|1,0,0]=3 149 B12R2.246 O=C1C=C(O)C2=C(N1)SC=C2 6972AC [0,0,0,0,1,1|2,0,0]=4