0 B8R1.1 C#CC1=NN(C)C=C1 CS-0237874 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 C=CC1=CC=C(C)O1 CS-0223422 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.1 CC1=CC(C#N)=CS1 CS-0360835 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.1 CC1=CC(CN)=NN1 CS-0217534 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CC1=CC(CN)=NO1 CS-0085256 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CC1=CC(CO)=CS1 CS-0214912 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.1 CC1=CN=C(C=O)S1 CS-W003454 [0,0,0,0,0,0|1,1,2]=4 7 B8R1.1 CC1=CN=C(CN)N1 CS-0245950 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.1 CC1=CSC(CN)=C1 CS-0206766 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 CC1=CSC(CN)=N1 CS-0213464 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.1 CC1=CSC(CO)=C1 CS-0196192 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.1 CC1=NC(CBr)=CS1 CS-0071218 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.1 CC1=NC(CN)=CS1 CS-0206965 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 CC1=NC(CO)=NO1 CS-0138283 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.1 CC1=NC=C(C#N)O1 CS-0377347 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.1 CC1=NC=C(CN)S1 CS-0097678 [0,0,0,0,0,0|2,1,0]=3 16 B8R1.1 CC1=NC=C(CN)S1 CS-0113081 [0,0,0,0,0,0|2,1,0]=3 17 B8R1.1 CC1=NC=C(CO)N1 CS-0152782 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.1 CC1=NN=C(CCl)S1 CS-M3071 [0,0,0,0,0,0|3,1,0]=4 19 B8R1.1 CC1=NN=C(CN)O1 CS-0075886 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.1 CC1=NN=C(CN)O1 CS-0321238 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.1 CC1=NN=C(CN)S1 CS-0642133 [0,0,0,0,0,0|3,1,0]=4 22 B8R1.1 CC1=NOC(CO)C1 CS-0218036 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.1 CCC1=CC(Br)=CS1 CS-0241329 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.1 CCC1=CC=C(C)O1 CS-0333891 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.1 CCC1=CC=C(C)S1 CS-0152517 [0,0,0,0,0,0|1,1,0]=2 26 B8R1.1 CCC1=CC=C(S)S1 CS-0216332 [0,0,0,0,0,0|2,1,0]=3 27 B8R1.1 CCC1=CN=C(Br)S1 CS-0308788 [0,0,0,0,0,0|3,1,0]=4 28 B8R1.1 CCC1=CSC(N)=N1 CS-0022305 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CCC1=NC(Br)=CS1 CS-0196562 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CCC1=NC(C)=NN1 CS-0261180 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CCC1=NNC(=S)O1 CS-0242877 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 CCN1C=C[N+](C)=C1 CS-0038419 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CCN1C=C[N+](C)=C1 CS-0199147 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CCN1C=C[N+](C)=C1 CS-0199460 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.1 CCN1C=C[N+](C)=C1 CS-W012676 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 CC[N+]1=CN(C)C=C1 CS-0172926 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 CC[N+]1=CN(C)C=C1 CS-0378355 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 CC[N+]1=CN(C)C=C1 CS-0622828 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 CN1C=CC(C#N)=C1 CS-0117624 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.1 CN1C=CC(CCl)=N1 CS-0460817 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.1 CN1C=CC(CN)=N1 CS-0215256 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.1 CN1C=NC(CN)=N1 CS-0053658 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 CN1C=NC(CO)=C1 CS-0340812 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 CNC1=NC(C)=CS1 CS-0138030 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.1 CNC1=NC=C(C)S1 CS-0282156 [0,0,0,0,0,0|3,1,0]=4 46 B8R1.1 CNC1=NN(C)C=C1 CS-0643924 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.1 COC1=CC=C(Br)S1 CS-0239688 [0,0,0,0,0,0|3,1,0]=4 48 B8R1.1 CSC1=CC(C)=CS1 CS-0196399 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.1 ClCC1=NC=C(Cl)S1 CS-0526936 [0,0,0,0,0,0|3,1,0]=4 50 B8R1.1 N#CC1=CC=C(I)S1 CS-0112255 [0,0,0,0,0,0|2,1,1]=4 51 B8R1.1 N=C1NC(CO)=CS1 CS-0044066 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.1 NC1=NC(CO)=CS1 CS-0072507 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.1 NCC1=CC(Br)=CS1 CS-0208996 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 NCC1=CSC(Br)=C1 CS-0216762 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.1 NCC1=CSC(Br)=N1 CS-0158427 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.1 NCC1=CSC(Cl)=C1 CS-0053151 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.1 NCC1=CSC(Cl)=N1 CS-0217099 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.1 NCC1=CSC(Cl)=N1 CS-0946810 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.1 O=C1CC[C@H](CO)O1 CS-0046919 [0,0,0,0,0,0|1,0,3]=4 60 B8R1.1 O=CC1=CC=C(I)S1 CS-0214606 [0,0,0,0,0,0|1,1,2]=4 61 B8R1.1 OCC1=CC=C(F)S1 CS-B1086 [0,0,0,0,0,0|1,1,0]=2 62 B8R1.1 OCC1=CSC(Cl)=C1 CS-0053150 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.1 OCC1=CSC(Cl)=N1 CS-0205566 [0,0,0,0,0,0|3,0,0]=3 64 B8R1.1 OCC1=NNC(Br)=C1 CS-0172747 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.1 OCN1C=C(Br)C=N1 CS-0239624 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.1 OCN1C=C(Cl)C=N1 CS-0239623 [0,0,0,0,0,0|4,0,0]=4 67 B7R1.1 BrCC1=NC=CN1 CS-W005277 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 CCC1=NC=CS1 CS-0205022 [1,0,0,0,0,0|2,1,0]=4 69 B7R1.1 ClCC1=COC=N1 CS-0697070 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 NCC1=CC=NN1 CS-0047020 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 NCC1=CN=CO1 CS-0054595 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 NCC1=CN=CO1 CS-W018747 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 NCC1=COC=C1 CS-0248416 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 NCC1=COC=N1 CS-0166912 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 NCC1=CSC=N1 CS-0054611 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 NCC1=CSC=N1 CS-0183074 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 NCC1=NC=CN1 CS-0155579 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 NCC1=NNC=C1 CS-0080138 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 NCC1=NOC=C1 CS-0036308 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 NCC1=NOC=C1 CS-0052745 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.1 OCC1=CNC=C1 CS-0342992 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 OCC1=CSN=N1 CS-0036936 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 OCC1=NC=NN1 CS-0038482 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.1 OCC1=NNC=N1 CS-B1071 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.2 BrC1=CC=C(Br)[Se]1 CS-0328502 [1,0,0,0,0,0|2,1,0]=4 86 B7R1.2 CC1=CN=C(Cl)N1 CS-0238799 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.2 CC1=CN=C(I)S1 CS-0211503 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.2 CC1=CSC(=O)N1 CS-0308346 [1,0,0,0,0,0|2,0,1]=4 89 B7R1.2 CC1=CSC(=S)N1 CS-0033731 [1,0,0,0,0,0|2,1,0]=4 90 B7R1.2 CC1=CSC(Br)=C1 CS-0022356 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.2 CC1=NN=C(C)O1 CS-W006707 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.2 CC1=NN=C(C)S1 CS-W011244 [1,0,0,0,0,0|2,1,0]=4 93 B7R1.2 CC1=NOC(O)=C1 CS-0217873 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.2 CN1C=C[N+](C)=C1 CS-0158150 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.2 O=C1C=CC(=O)C1 CS-0204257 [1,0,0,0,0,0|2,0,1]=4 96 B7R1.2 O=C1C=CC(=O)O1 CS-0504295 [1,0,0,0,0,0|1,0,1]=3 97 B7R1.2 O=C1CC(O)=CO1 CS-0875094 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.7 BrCCC1=CC=C(Br)S1 CS-0511648 [0,1,0,0,0,0|2,1,0]=4 99 B9R1.7 CC1=CC=C(CC#N)S1 CS-0239536 [0,1,0,0,0,0|1,1,0]=3 100 B9R1.7 CC1=CC=C(CCN)O1 CS-0163785 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.7 CC1=CC=C(CCN)S1 CS-0309172 [0,1,0,0,0,0|1,1,0]=3 102 B9R1.7 CC1=CC=C(CCO)O1 CS-0186430 [0,1,0,0,0,0|0,0,0]=1 103 B9R1.7 CC1=CN(CCO)N=C1 CS-0240821 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.7 CC1=CN(CCO)N=C1 CS-0714486 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.7 CC1=NC(CC#N)=CS1 CS-0075006 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.7 CC1=NC(CCCl)=CS1 CS-0225359 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.7 CC1=NC(CCN)=CS1 CS-0244280 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.7 CC1=NC(CCO)=CS1 CS-0215435 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.7 CC1=NC=C(CCO)S1 CS-0224909 [0,1,0,0,0,0|1,1,0]=3 110 B9R1.7 CC1=NN(CCO)C=C1 CS-0282628 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.7 CN1C=C(CCO)C=N1 CS-0159313 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.7 CN1C=CC(CCN)=N1 CS-0623456 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.7 CN1C=CC(CNN)=N1 CS-0504634 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.7 CNCC1=CC(C)=CS1 CS-0236187 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.7 CNCC1=CC=C(Br)O1 CS-0248058 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.7 CNCC1=CC=C(Br)S1 CS-0224242 [0,1,0,0,0,0|2,1,0]=4 117 B9R1.7 CNCC1=CC=C(C)S1 CS-0257583 [0,1,0,0,0,0|1,1,0]=3 118 B9R1.7 CNCC1=CC=C(C)S1 CS-0672531 [0,1,0,0,0,0|1,1,0]=3 119 B9R1.7 CNCC1=CC=C(Cl)S1 CS-0223920 [0,1,0,0,0,0|2,1,0]=4 120 B9R1.7 CNCC1=COC(C)=N1 CS-0649811 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.7 CNCC1=CSC(C)=N1 CS-0054974 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.7 CNCC1=CSC(C)=N1 CS-0688833 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.7 CNCC1=NC(C)=CS1 CS-0261969 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.7 CNCC1=NC=C(C)N1 CS-0215894 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.7 CNCC1=NN(C)C=C1 CS-0240451 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.7 CNCC1=NN=C(C)O1 CS-0070578 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.7 CNCC1=NN=C(C)O1 CS-0215786 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.7 N#CCC1=CC=C(Cl)S1 CS-0112657 [0,1,0,0,0,0|2,1,0]=4 129 B9R1.7 NC1=NC(CCO)=CS1 CS-0100839 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.7 O\N=C\C1=CC=C(Br)S1 CS-0195336 [0,1,0,0,0,0|1,1,1]=4 131 B9R1.21 C#CC1=CC=C(CC)S1 CS-0698117 [0,1,0,0,0,0|1,1,1]=4 132 B9R1.21 CCC1=CC=C(C#N)N1 CS-0360777 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.21 CCC1=CC=C(C=O)O1 CS-0204240 [0,1,0,0,0,0|0,0,2]=3 134 B9R1.21 CCC1=CSC(NC)=N1 CS-0224058 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.21 CCC1=NC(CO)=CS1 CS-0259024 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.21 CCC1=NC=C(CN)N1 CS-0648438 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.21 CCC1=NN=C(CN)O1 CS-0308391 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.21 CCC1=NOC(CO)=N1 CS-0085095 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.21 CCN1C=CC(CO)=N1 CS-0215283 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.21 CSC1=CC=C(C#N)S1 CS-0448311 [0,1,0,0,0,0|1,1,1]=4 141 B9R1.21 CSC1=CC=C(C=O)S1 CS-W013281 [0,1,0,0,0,0|0,1,2]=4 142 B9R1.21 N#CC1=CC(CO)=CS1 CS-0737605 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.21 N#CC1=CC=C(CN)S1 CS-0312197 [0,1,0,0,0,0|1,1,1]=4 144 B9R1.21 O=CC1=CC=C(CCl)O1 CS-0695712 [0,1,0,0,0,0|0,0,2]=3 145 B9R1.21 O=CC1=CC=C(CO)N1 CS-0157346 [0,1,0,0,0,0|1,0,1]=3 146 B9R1.22 CC1=CC(CN)=C(C)S1 CS-0217785 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.22 CC1=CC(CO)=C(C)O1 CS-0280239 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.22 CC1=NC(Br)=C(CBr)S1 CS-0696154 [0,1,0,0,0,0|2,1,0]=4 149 B9R1.22 CC1=NC(C)=C(C=O)O1 CS-0172064 [0,1,0,0,0,0|1,0,2]=4 150 B9R1.22 CC1=NC(C)=C(CCl)S1 CS-0775421 [0,1,0,0,0,0|2,1,0]=4 151 B9R1.22 CC1=NC(C)=C(CN)S1 CS-0120621 [0,1,0,0,0,0|2,1,0]=4 152 B9R1.22 CC1=NC(C)=C(CO)O1 CS-0308097 [0,1,0,0,0,0|1,0,0]=2 153 B9R1.22 CC1=NC(CCl)=C(C)S1 CS-0308334 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.22 CC1=NC(CO)=C(Br)S1 CS-0060034 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.22 CC1=NC(CO)=C(C)O1 CS-0153446 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.22 CC1=NN(C)C=C1CO CS-0215180 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.22 CN1C=C(Br)C(CN)=N1 CS-0240643 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 CS-0214617 [0,1,0,0,0,0|2,1,0]=4 159 B9R1.23 CC1=C(Br)C=C(CO)S1 CS-0190745 [0,1,0,0,0,0|0,1,0]=2 160 B9R1.23 CC1=C(Br)SC(CN)=N1 CS-0899739 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.23 CC1=C(C)NC(CCl)=N1 CS-0246512 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.23 CC1=C(C)SC(C=O)=C1 CS-0229935 [0,1,0,0,0,0|0,1,2]=4 163 B9R1.23 CC1=C(C)SC(CBr)=N1 CS-0782039 [0,1,0,0,0,0|2,1,0]=4 164 B9R1.23 CC1=C(C)SC(CCl)=N1 CS-0666631 [0,1,0,0,0,0|2,1,0]=4 165 B9R1.23 CC1=C(C)SC(CO)=N1 CS-0153586 [0,1,0,0,0,0|1,1,0]=3 166 B9R1.23 CC1=NC(CO)=NN1C CS-0540138 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.23 CCC1=NN(C)C(Cl)=C1 CS-0264868 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.23 CCN1C=C(I)C(C)=N1 CS-0215052 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.23 CCN1C=C(N)C(C)=N1 CS-0052570 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.23 CCN1C=C(N)C(C)=N1 CS-0141735 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.23 O=CC1=CC(Br)=C(Br)O1 CS-0195335 [0,1,0,0,0,0|1,0,2]=4 172 B9R1.35 CC(N)C1=CC=C(Cl)S1 CS-0022298 [0,1,0,0,0,0|2,1,0]=4 173 B9R1.35 CC(O)C1=CSC(Cl)=C1 CS-0052863 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.35 CC1=CC=C(B(O)O)O1 CS-W001234 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.35 CC1=CC=C(C(=N)N)O1 CS-0259647 [0,1,0,0,0,0|1,0,1]=3 176 B9R1.35 CC1=CC=C(C(=N)N)S1 CS-1166046 [0,1,0,0,0,0|1,1,1]=4 177 B9R1.35 CC1=CC=C(C(C)N)S1 CS-0251216 [0,1,0,0,0,0|1,1,0]=3 178 B9R1.35 CC1=CC=C(C(C)O)S1 CS-0225255 [0,1,0,0,0,0|0,1,0]=2 179 B9R1.35 CC1=CC=C(C(C)S)S1 CS-0259190 [0,1,0,0,0,0|0,2,0]=3 180 B9R1.35 CC1=CC=C(C(N)=O)S1 CS-0453814 [0,1,0,0,0,0|0,1,2]=4 181 B9R1.35 CC1=CC=C(S(=O)O)S1 CS-1034738 [0,1,0,0,0,0|1,1,0]=3 182 B9R1.35 CC1=CN=C(C(=O)[O-])O1 CS-0048703 [0,1,0,0,0,0|1,0,2]=4 183 B9R1.35 CC1=CSC(C(C)N)=N1 CS-0217373 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.35 CC1=CSC(C(C)N)=N1 CS-0713751 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.35 CC1=CSC(C(C)O)=N1 CS-0234501 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.35 CC1=NC(C(C)C)=CS1 CS-0057980 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.35 CC1=NC(C(C)N)=CS1 CS-0005455 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.35 CC1=NC=C(C(N)=O)O1 CS-0673355 [0,1,0,0,0,0|1,0,2]=4 189 B9R1.35 CC1=NN(C(C)C)C=C1 CS-0274494 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 CS-0053590 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.35 FC(F)C1=CC=C(I)O1 CS-0215986 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 CS-0312815 [0,1,0,0,0,0|2,0,1]=4 193 B9R1.132 CC1=C(C)C(CO)=CS1 CS-0279641 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.132 CC1=C(CO)C=NN1C CS-0308160 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.132 CC1=CC=C(C#N)N1C CS-0179409 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.132 CC1=CC=C(CN)N1C CS-0055538 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.132 CC1=CC=C(CN)N1C CS-0216662 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.132 CC1=NNC(CO)=C1Br CS-0644595 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.132 CN1C(Cl)=CN=C1CO CS-0151214 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.3 C=CC(=O)OCCC CS-0870996 [0,0,1,0,0,0|2,0,1]=4 201 B7R0.3 C=CC(=O)OCCCl CS-W013365 [0,0,1,0,0,0|2,0,1]=4 202 B7R0.4 C\C=C/C=C/C(=O)O CS-0747017 [0,0,1,0,0,0|2,0,1]=4 203 B9R2.39 OC1CC2C=CC1C2 CS-W008466 [0,0,0,1,0,0|1,0,2]=4 204 B9R1.1 BrC1=CC=C(CI)C=C1 CS-0243850 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.1 C#CC1=NN=C(C)C=C1 CS-0158548 [0,0,0,0,0,1|2,0,1]=4 206 B9R1.1 C=CC1=CN=C(C)C=C1 CS-0050497 [0,0,0,0,0,1|2,0,1]=4 207 B9R1.1 C=CC1=NC=C(C)C=C1 CS-0197201 [0,0,0,0,0,1|2,0,1]=4 208 B9R1.1 C=CC1=NC=C(C)C=C1 CS-0961752 [0,0,0,0,0,1|2,0,1]=4 209 B9R1.1 CC1=CC=C(CS)C=C1 CS-0281345 [0,0,0,0,0,1|1,1,0]=3 210 B9R1.1 CC1=CN=C(CBr)C=C1 CS-0697252 [0,0,0,0,0,1|2,0,0]=3 211 B9R1.1 CC1=CN=C(CBr)N=C1 CS-0698580 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.1 CC1=CN=C(CN)C=C1 CS-0152867 [0,0,0,0,0,1|2,0,0]=3 213 B9R1.1 CC1=CN=C(CO)N=C1 CS-0036018 [0,0,0,0,0,1|2,0,0]=3 214 B9R1.1 CC1=NC=C(CBr)C=C1 CS-W004023 [0,0,0,0,0,1|2,0,0]=3 215 B9R1.1 CC1=NC=C(CCl)C=N1 CS-0050759 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.1 CC1=NC=C(CCl)N=C1 CS-0695928 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.1 CC1=NC=C(CN)N=C1 CS-0172777 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.1 CC1=NC=C(NN)C=C1 CS-0018980 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.1 CCC1=CC=C(C)C=N1 CS-0697281 [0,0,0,0,0,1|2,0,0]=3 220 B9R1.1 CCC1=CN=C(Br)C=C1 CS-0152499 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.1 CCC1=CN=C(C)C=N1 CS-0199527 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.1 CCC1=NC=C(Cl)C=C1 CS-0152485 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.1 CNC1=CC=C(C)C=C1 CS-0211389 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.1 CNC1=NN=C(C)C=C1 CS-0217569 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.1 ClC1=CN=C(CBr)C=C1 CS-0052244 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.1 ClC1=CN=C(CBr)C=C1 CS-0654832 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.1 FC1=CN=C(CBr)C=C1 CS-0237095 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.1 FCC1=CC=C(Br)C=C1 CS-0047008 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.1 NC1=CN=C(CO)N=C1 CS-0183151 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.1 NCC1=CC=C(Cl)N=N1 CS-0491514 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.1 NCC1=CC=C(F)C=C1 CS-0214081 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.1 NCC1=CC=C(N)C=C1 CS-0072248 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.1 NCC1=CC=C(O)C=C1 CS-0449411 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.1 NCC1=CN=C(Cl)C=C1 CS-0217172 [0,0,0,0,0,1|3,0,0]=4 235 B9R1.1 NCC1=CNC(=O)C=C1 CS-W003489 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.1 NCC1=NC=C(N)C=C1 CS-0455700 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.1 N[C@@H]1C=C[C@@H](CO)OC1 CS-0492940 [0,0,0,0,0,1|1,0,2]=4 238 B9R1.2 C=CC1=CC(C)=CN=C1 CS-0056743 [0,0,0,0,0,1|2,0,1]=4 239 B9R1.2 C=CC1=NC=CC(C)=C1 CS-0196764 [0,0,0,0,0,1|2,0,1]=4 240 B9R1.2 CC1=CC=NC(CN)=N1 CS-0038029 [0,0,0,0,0,1|2,0,0]=3 241 B9R1.2 CC1=CC=N\C(=N/N)N1 CS-0045886 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.2 CC1=CC=N\C(=N/N)N1 CS-0942789 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.2 CC1=CN=CC(CN)=C1 CS-0035512 [0,0,0,0,0,1|2,0,0]=3 244 B9R1.2 CC1=CN=NC(CO)=C1 CS-0053140 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.2 CC1=NC(C#N)=CN=C1 CS-0152804 [0,0,0,0,0,1|2,0,1]=4 246 B9R1.2 CC1=NC(CN)=CC=C1 CS-0233648 [0,0,0,0,0,1|2,0,0]=3 247 B9R1.2 CC1=NC(CN)=NC=C1 CS-0215527 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.2 CC1=NC(NN)=CC=C1 CS-0061377 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.2 CC1=NC=CC(C=O)=N1 CS-W008742 [0,0,0,0,0,1|1,0,2]=4 250 B9R1.2 CC1=NC=CC(CBr)=C1 CS-0696697 [0,0,0,0,0,1|2,0,0]=3 251 B9R1.2 CCC1=CC(=O)NC=C1 CS-0698987 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.2 CCC1=CC(Br)=NC=C1 CS-W016923 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.2 CCC1=CC(F)=CC=C1 CS-0455014 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.2 CCC1=CC=CC(C)=C1 CS-W013572 [0,0,0,0,0,1|2,0,0]=3 255 B9R1.2 CCC1=CC=CC(C)=N1 CS-0217858 [0,0,0,0,0,1|2,0,0]=3 256 B9R1.2 CCC1=CN=CC(O)=C1 CS-0160623 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.2 CCC1=NC(O)=CC=N1 CS-0036926 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.2 CC[N+]1=CC=CC(C)=C1 CS-W010229 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.2 CNC1=CC=CC(C)=N1 CS-0152813 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.2 CNC1=CN=CC(C)=N1 CS-0038230 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.2 CNC1=NC(C)=NC=C1 CS-0045972 [0,0,0,0,0,1|3,0,0]=4 262 B9R1.2 CNC1=NC=CC(C)=N1 CS-0653180 [0,0,0,0,0,1|3,0,0]=4 263 B9R1.2 COC1=NC(C)=CN=C1 CS-0311527 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.2 COC1=NC=CC(C)=N1 CS-0152798 [0,0,0,0,0,1|3,0,0]=4 265 B9R1.2 CSC1=CC(C)=CC=C1 CS-0695315 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.2 ClC1=CC=CC(CI)=C1 CS-0242157 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.2 ClC1=NC(CBr)=CC=C1 CS-0696247 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.2 ClCC1=CC(Br)=CN=C1 CS-0695716 [0,0,0,0,0,1|3,0,0]=4 269 B9R1.2 ClCC1=CC(Br)=NC=C1 CS-0870398 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.2 N=C1C=C(CN)C=CN1 CS-W006167 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.2 NC1=CC(CO)=NC=C1 CS-0127821 [0,0,0,0,0,1|2,0,0]=3 272 B9R1.2 NCC1=CC(=O)NC=C1 CS-0051194 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.2 NCC1=CC(=O)NC=C1 CS-0185217 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.2 NCC1=CC(=O)NC=C1 CS-0185218 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.2 NCC1=CC(F)=CN=C1 CS-0183164 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.2 NCC1=CC(O)=CC=C1 CS-0207928 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.2 NCC1=CC=CC(=O)N1 CS-0160607 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.2 NCC1=NC(Cl)=CC=C1 CS-0186094 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.2 NCC1=NC(Cl)=CC=C1 CS-W019130 [0,0,0,0,0,1|3,0,0]=4 280 B9R1.2 NCC1=NC(Cl)=CN=C1 CS-0129494 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.2 NCC1=NC=CC(Cl)=C1 CS-0183270 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.2 OCC1=CC(Br)=CN=C1 CS-0053822 [0,0,0,0,0,1|2,0,0]=3 283 B9R1.2 OCC1=NC=CC(Cl)=C1 CS-0714407 [0,0,0,0,0,1|2,0,0]=3 284 B6R0.1 C(C)=CC(=O)CC CS-W013723 [1,0,1,0,0,0|1,0,1]=4 285 B6R0.4 C=C\C=C\C(=O)O CS-0199455 [1,0,1,0,0,0|0,0,2]=4 286 B6R0.4 CC\C=C\B(O)O CS-0179254 [1,0,1,0,0,0|1,0,1]=4 287 B6R0.4 CC\C=C\C(C)=O CS-0782888 [1,0,1,0,0,0|0,0,2]=4 288 B6R0.6 CC=C=CCCO CS-0260353 [1,0,1,0,0,0|0,0,2]=4 289 B6R0.6 CCC\C=C/CO CS-0185821 [1,0,1,0,0,0|0,0,2]=4 290 B6R0.6 C\C=C/CCCO CS-0185820 [1,0,1,0,0,0|0,0,2]=4 291 B6R0.6 C\C=C\C=C\C=O CS-0067535 [1,0,1,0,0,0|0,0,2]=4 292 B6R0.6 C\C=C\CCCO CS-0163135 [1,0,1,0,0,0|0,0,2]=4 293 B6R0.6 C\C=C\CCCO CS-0311846 [1,0,1,0,0,0|0,0,2]=4 294 B6R1.2 BrC1=CN=CO1 CS-0267864 [2,0,0,0,0,0|2,0,0]=4 295 B6R1.2 CC1=CC=NN1 CS-0525938 [2,0,0,0,0,0|2,0,0]=4 296 B6R1.2 CC1=COC=C1 CS-0263662 [2,0,0,0,0,0|2,0,0]=4 297 B6R1.2 CC1=NOC=C1 CS-0152708 [2,0,0,0,0,0|2,0,0]=4 298 B6R1.2 OC1=CC=CO1 CS-0682984 [2,0,0,0,0,0|0,0,0]=2 299 B6R1.2 OC1=CSC=C1 CS-0198984 [2,0,0,0,0,0|2,0,0]=4 300 B6R1.2 OC1=NC=CS1 CS-W019762 [2,0,0,0,0,0|1,1,0]=4 301 B6R1.2 OC1=NN=CO1 CS-0453163 [2,0,0,0,0,0|2,0,0]=4 302 B8R0.6 C=CC(=O)OCCOC CS-0167409 [0,1,1,0,0,0|1,0,1]=4 303 B8R1.7 C=C(C)C1=CC=CO1 CS-0468109 [1,1,0,0,0,0|1,0,1]=4 304 B8R1.7 CC(N)C1=CC=CO1 CS-0030195 [1,1,0,0,0,0|1,0,0]=3 305 B8R1.7 CC(O)C1=CC=CS1 CS-0464858 [1,1,0,0,0,0|0,1,0]=3 306 B8R1.7 C[C@@H](O)C1=CC=CO1 CS-0158192 [1,1,0,0,0,0|0,0,0]=2 307 B8R1.7 C[C@H](N)C1=CC=CO1 CS-0962538 [1,1,0,0,0,0|1,0,0]=3 308 B8R1.7 C[C@H](O)C1=CC=CO1 CS-0260782 [1,1,0,0,0,0|0,0,0]=2 309 B8R1.7 N=C(N)C1=CC=CO1 CS-0216688 [1,1,0,0,0,0|1,0,1]=4 310 B8R1.7 NC(=S)C1=CC=CO1 CS-W011146 [1,1,0,0,0,0|0,1,1]=4 311 B8R1.7 O=C(O)C1=NC=CO1 CS-W021738 [1,1,0,0,0,0|1,0,1]=4 312 B8R1.7 O=N(=O)C1=CC=CO1 CS-W016615 [1,1,0,0,0,0|1,0,1]=4 313 B8R1.8 BrCCC1=CC=CS1 CS-0217535 [1,1,0,0,0,0|1,1,0]=4 314 B8R1.8 CNCC1=CC=CO1 CS-0070074 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.8 CNCC1=CC=CS1 CS-0068030 [1,1,0,0,0,0|1,1,0]=4 316 B8R1.8 COCC1=CC=CS1 CS-0196397 [1,1,0,0,0,0|0,1,0]=3 317 B8R1.8 COCN1C=CC=C1 CS-0210401 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.8 COCN1C=CC=N1 CS-0210414 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.8 N#CCC1=CC=CN1 CS-0341690 [1,1,0,0,0,0|2,0,0]=4 320 B8R1.8 N#CCC1=CC=CO1 CS-0336077 [1,1,0,0,0,0|1,0,0]=3 321 B8R1.8 NCCC1=CC=CN1 CS-0197212 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.8 NCCC1=CC=CS1 CS-0673662 [1,1,0,0,0,0|1,1,0]=4 323 B8R1.8 NOCC1=CC=CS1 CS-0287045 [1,1,0,0,0,0|0,1,0]=3 324 B8R1.8 OCCC1=CC=CO1 CS-0047160 [1,1,0,0,0,0|0,0,0]=2 325 B8R1.8 OCCC1=COC=C1 CS-0040854 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.8 OCCC1=NC=CN1 CS-W005588 [1,1,0,0,0,0|2,0,0]=4 327 B8R1.8 OCCN1C=CC=C1 CS-W016621 [1,1,0,0,0,0|2,0,0]=4 328 B8R1.8 O\N=C\C1=CC=CS1 CS-0171538 [1,1,0,0,0,0|0,1,1]=4 329 B8R1.11 CC1=C(C=O)OC=C1 CS-0516508 [1,1,0,0,0,0|0,0,2]=4 330 B8R1.11 CC1=C(CCl)OC=N1 CS-0540679 [1,1,0,0,0,0|2,0,0]=4 331 B8R1.11 CC1=C(CN)SC=C1 CS-0215987 [1,1,0,0,0,0|1,1,0]=4 332 B8R1.11 CC1=C(CN)SC=C1 CS-0246099 [1,1,0,0,0,0|1,1,0]=4 333 B8R1.11 CC1=C(CO)C=CO1 CS-0260838 [1,1,0,0,0,0|2,0,0]=4 334 B8R1.11 CC1=C(CO)N=CS1 CS-0021909 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.11 CC1=C(CO)OC=C1 CS-0239946 [1,1,0,0,0,0|0,0,0]=2 336 B8R1.11 CC1=C(CO)OC=N1 CS-W011260 [1,1,0,0,0,0|1,0,0]=3 337 B8R1.11 CC1=C(CO)SC=C1 CS-0232586 [1,1,0,0,0,0|0,1,0]=3 338 B8R1.11 CN1C=CC=C1CN CS-W005958 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.11 OCC1=C(Br)C=CS1 CS-0042374 [1,1,0,0,0,0|0,1,0]=3 340 B8R1.11 OCC1=C(Cl)C=CS1 CS-0053371 [1,1,0,0,0,0|0,1,0]=3 341 B8R1.18 CC1=C(C)OC(=S)N1 CS-0541455 [1,1,0,0,0,0|1,1,0]=4 342 B8R1.18 CC1=C(C)OC(O)=N1 CS-0238706 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.18 CC1=CC(=O)N(C)N1 CS-0662515 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.18 CC1=CC(=O)OC1O CS-0050459 [1,1,0,0,0,0|1,0,1]=4 345 B8R1.18 CC1=CC(C)=C(Br)S1 CS-0308172 [1,1,0,0,0,0|1,1,0]=4 346 B8R1.18 CC1=CC(C)=C(C)O1 CS-0339599 [1,1,0,0,0,0|0,0,0]=2 347 B8R1.18 CC1=CC(C)=C(C)S1 CS-0324136 [1,1,0,0,0,0|0,1,0]=3 348 B8R1.18 CC1=CC(S)=C(C)O1 CS-W011128 [1,1,0,0,0,0|0,0,0]=2 349 B8R1.18 CC1=CN(C)C(C)=N1 CS-0570788 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.18 CC1=NC(C)=C(C)N1 CS-0279623 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.18 CC1=NC(C)=C(I)N1 CS-0642986 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.18 CC1=NN(C)C(Br)=C1 CS-0050657 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.18 CC1=NN(C)C(Cl)=C1 CS-W013430 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.50 CC1=CC=C(C)N1C CS-0239671 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.50 CC1=CC=C(C)N1N CS-0265235 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.1 CC1=CC=C(CON)C=C1 CS-0240618 [0,1,0,0,0,1|1,0,0]=3 357 B10R1.1 CC1=CN=C(CCO)C=C1 CS-0243201 [0,1,0,0,0,1|1,0,0]=3 358 B10R1.1 CC1=NC=C(CC#N)C=C1 CS-0207777 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.1 CCSC1=CC=C(C)C=C1 CS-0315752 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.1 CNCC1=CC=C(C)C=C1 CS-0153060 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.1 CNCC1=CN=C(C)C=C1 CS-0442411 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.1 CNCC1=NC=C(C)C=C1 CS-0685376 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.1 COCC1=CC=C(O)C=C1 CS-W022018 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.1 COCC1=CN=C(Cl)C=C1 CS-0308112 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.1 NOCC1=CC=C(Cl)C=C1 CS-0741990 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.1 NOCC1=CC=C(F)C=C1 CS-0448581 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.1 OCCC1=CN=C(Br)C=C1 CS-0452491 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.3 CCC1=CC=C(CN)C=C1 CS-0206719 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.3 CCC1=CC=C(NC)C=C1 CS-0252182 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.3 CCC1=CN=C(CN)C=C1 CS-0253594 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.3 COC1=CN=C(CO)N=C1 CS-0183766 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.3 COC1=NC=C(CCl)C=C1 CS-0217796 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.3 CSC1=CC=C(CCl)C=C1 CS-0356590 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.3 OCC1=CN=C(CO)C=C1 CS-0328320 [0,1,0,0,0,1|1,0,0]=3 375 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 CS-0122808 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-0212774 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.13 CC1=CN=C(C(C)N)C=C1 CS-0196546 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.13 CC1=NC=C(B(O)O)C=C1 CS-0175867 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.13 CC1=NC=C(B(O)O)C=C1 CS-0178873 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.13 CC1=NN=C(C(=O)O)C=C1 CS-W003657 [0,1,0,0,0,1|1,0,1]=4 381 B10R1.13 Cc1ccc(C(C)C)cc1 CS-0082014 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.25 CC1=CC(C)=C(CN)N=C1 CS-0153275 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.25 CC1=CC(F)=C(CCl)C=C1 CS-0732122 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.25 CC1=CC(F)=C(CN)C=C1 CS-0280274 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.25 CC1=CC(F)=CC=C1CO CS-0194684 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.25 CC1=CC(I)=C(CO)C=C1 CS-0776051 [0,1,0,0,0,1|1,0,0]=3 387 B10R1.25 CC1=CC(N)=C(CO)C=N1 CS-0186071 [0,1,0,0,0,1|1,0,0]=3 388 B10R1.25 CC1=CC(O)=CC=C1CO CS-0196193 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.25 CC1=NC=C(CO)C(C)=N1 CS-0233101 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.25 CC1=NC=C(CO)C(N)=N1 CS-0162557 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.25 CCC1=C(C)C=C(C)C=C1 CS-0213341 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.25 CCC1=CN=C(C)C=C1N CS-0308228 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.25 CCC1=NC=C(C)C=C1C CS-0321319 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.25 NC1=CC(Br)=CN=C1CO CS-0053390 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.25 NC1=CC(F)=CC=C1CO CS-0309277 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.25 OCC1=C(Br)C=C(Br)C=N1 CS-0268502 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.25 OCC1=C(Br)C=C(Cl)C=C1 CS-0194565 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 CS-0193197 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.176 CC1=C(Br)C=C(CN)C=C1 CS-0309329 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.176 CC1=C(C)N=C(CN)C=C1 CS-0621461 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.176 CC1=C(C)N=C(CN)C=C1 CS-0697782 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.176 CC1=C(Cl)C=C(CO)C=C1 CS-0194513 [0,1,0,0,0,1|1,0,0]=3 403 B10R1.176 CC1=C(Cl)C=C(CO)N=C1 CS-0362956 [0,1,0,0,0,1|1,0,0]=3 404 B10R1.176 CC1=C(F)C=C(CN)C=C1 CS-0206509 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.176 CC1=CC(CO)=CC=C1F CS-0206969 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.176 CC1=CC(CO)=CC=C1N CS-0210605 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.176 CC1=CC(CO)=NC=C1Br CS-W021113 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.176 CC1=CC=C(CO)C=C1N CS-0204706 [0,1,0,0,0,1|1,0,0]=3 409 B10R1.176 CC1=CN=C(CO)C=C1Br CS-0505360 [0,1,0,0,0,1|1,0,0]=3 410 B10R1.176 NC1=CC=C(CO)C=C1Cl CS-0378804 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.176 OCC1=CC(Cl)=C(Br)C=C1 CS-0157086 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 CS-0223829 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.176 OCC1=CC(O)=C(O)C=N1 CS-0233520 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.176 OCC1=CC=C(F)C(I)=C1 CS-0378751 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.2 CC1=C(Cl)C(CN)=CC=C1 CS-0153688 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.2 CC1=C(O)C(CO)=CC=C1 CS-0378154 [0,1,0,0,0,1|1,0,0]=3 417 B10R1.2 CCC1=CC=CC(C)=C1Br CS-0326728 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.2 CCC1=CC=CC(C)=C1C CS-0467255 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.2 OCC1=C(Br)C(Br)=CC=C1 CS-0193025 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.2 OCC1=C(F)C(Br)=NC=C1 CS-0135385 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.2 OCC1=C(F)C(I)=CC=C1 CS-0195065 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.2 OCC1=C(F)C(O)=CC=C1 CS-0365101 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.8 CC1=CC(Br)=CC(CN)=C1 CS-0469347 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.8 CC1=CC(C)=NC(CBr)=C1 CS-0328794 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.8 CC1=CC(C)=NC(CN)=N1 CS-0234779 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.8 CC1=CC(CBr)=CC(Br)=C1 CS-0453197 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.8 CC1=CC(CBr)=CC(F)=C1 CS-0464781 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.8 CC1=CC(CCl)=CC(Br)=C1 CS-0685290 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.8 CC1=CC(CCl)=CC(C)=N1 CS-0695886 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.8 CC1=CC(CCl)=CC(C)=N1 CS-0697331 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.8 CC1=CC(CN)=CC(F)=C1 CS-0213442 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.8 CC1=CC(CO)=CC(Cl)=N1 CS-0214821 [0,1,0,0,0,1|1,0,0]=3 433 B10R1.8 CC1=CC(CO)=CC(O)=C1 CS-0196147 [0,1,0,0,0,1|1,0,0]=3 434 B10R1.8 CC1=CC(CO)=NC(C)=N1 CS-0185392 [0,1,0,0,0,1|1,0,0]=3 435 B10R1.8 CC1=NC(CCl)=CC(=O)N1 CS-0138511 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.8 CC1=NC(CCl)=NC(O)=C1 CS-0036596 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.8 CCC1=CC(Cl)=NC(C)=N1 CS-W016227 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.8 CCC1=CC(O)=NC(C)=N1 CS-0187005 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.8 NC1=CC(CO)=CC(O)=C1 CS-0378741 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.8 OCC1=NC(Br)=CC(Cl)=C1 CS-0380388 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.10 CC1=CC(CC#N)=NC=C1 CS-0188313 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.10 CC1=CC(CCBr)=CC=C1 CS-0068036 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.10 CC1=NC(CCN)=CC=C1 CS-W016523 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.10 CCOC1=CC(C)=NC=C1 CS-0521130 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.10 CNCC1=NC(C)=CC=C1 CS-0262865 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.10 COCC1=NC(C)=CC=C1 CS-0652014 [0,1,0,0,0,1|1,0,0]=3 447 B10R1.10 COCC1=NC(Cl)=NC=C1 CS-W021646 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.10 COCC1=NC=CC(=N)N1 CS-W003752 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.10 NOCC1=CC=CC(Cl)=C1 CS-0225707 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.10 OCCC1=NC(Br)=CC=C1 CS-W007189 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.30 CC1=CC(CN)=C(F)C=C1 CS-0280279 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.30 CC1=CC=C(Br)C(CCl)=N1 CS-0623154 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.30 CC1=CC=C(C)C(CO)=N1 CS-0186058 [0,1,0,0,0,1|1,0,0]=3 454 B10R1.30 CC1=CC=C(C)C(CS)=C1 CS-0258668 [0,1,0,0,0,1|1,1,0]=4 455 B10R1.30 CC1=CC=C(Cl)C(CCl)=N1 CS-0697624 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.30 CC1=CC=C(Cl)C(CN)=C1 CS-0162968 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.30 CC1=CC=C(F)C(CCl)=C1 CS-0883291 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.30 CC1=CC=C(F)C(CN)=C1 CS-0232269 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.30 CC1=CC=C(N)C(CO)=N1 CS-0053388 [0,1,0,0,0,1|1,0,0]=3 460 B10R1.30 CC1=CC=C(N)C=C1CO CS-0210622 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.30 CC1=CC=C(O)C(CN)=C1 CS-0353945 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.30 CC1=CC=C(O)C=C1CO CS-0196207 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.30 CCC1=C(C)C=CC(C)=C1 CS-0206595 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.30 CCC1=C(O)C=CC(C)=N1 CS-W002620 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.30 CCC1=CC(C)=CC=C1O CS-0237326 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.30 NC1=CN=C(Br)C=C1CO CS-0309874 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.30 NC1=NC=C(Br)C=C1CO CS-0317771 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.30 OCC1=CC(Br)=CN=C1Br CS-0195148 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.30 OCC1=CC(Br)=CN=C1F CS-0053938 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.30 OCC1=CC(Br)=NC=C1F CS-0143689 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.30 OCC1=CC(Cl)=CN=C1Br CS-0042008 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.30 OCC1=CC(Cl)=CN=C1Cl CS-0100910 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.30 OCC1=CC(Cl)=NC=C1Br CS-0194194 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.30 OCC1=CC(O)=CC=C1F CS-0378475 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.113 CC(O)C1=CC(Cl)=NC=C1 CS-0238134 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.113 CC(O)C1=CC=CC(I)=C1 CS-0758126 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.113 CC(O)C1=NC=CC(Br)=C1 CS-0130448 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.113 CC1=CC(B(O)O)=NC=C1 CS-0175834 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS-W005037 [0,1,0,0,0,1|1,0,1]=4 480 B10R1.113 CC1=CC(C(C)Br)=CC=C1 CS-0258302 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.113 CC1=CC(C(C)C)=CC=C1 CS-0331846 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS-0456283 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.113 CC1=CC(C(C)N)=NC=C1 CS-0005381 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.113 CC1=CC(S(=O)O)=NC=C1 CS-0959317 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.113 CC1=CC([C@@H](C)O)=NC=C1 CS-0163636 [0,1,0,0,0,1|1,0,0]=3 486 B10R1.113 CC1=CC=CC(C(F)F)=N1 CS-0040445 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 CS-0000339 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.113 CC1=CN=CC(B(O)O)=C1 CS-0178116 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.113 CC1=NC=CC(B(O)O)=C1 CS-0161393 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.113 CC1=NC=CC(B(O)O)=N1 CS-0669244 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.172 CCC1=CC(CN)=NC=C1 CS-0214827 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.172 CCC1=CC(CO)=CC=C1 CS-0196206 [0,1,0,0,0,1|1,0,0]=3 493 B10R1.172 CCC1=CC(NC)=CC=C1 CS-0242452 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.172 CCC1=CC=CC(OC)=C1 CS-0238534 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.172 CCC1=NC(CO)=CC=C1 CS-0152488 [0,1,0,0,0,1|1,0,0]=3 496 B10R1.172 CNC1=CC=CC(CO)=C1 CS-0234901 [0,1,0,0,0,1|1,0,0]=3 497 B10R1.172 COC1=CC(CCl)=CC=N1 CS-0028279 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.172 COC1=CC=CC(CN)=N1 CS-W006041 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.172 COC1=CN=CC(CO)=C1 CS-0054665 [0,1,0,0,0,1|1,0,0]=3 500 B10R1.172 COC1=NC=CC(CN)=C1 CS-0210836 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.172 COC1=NC=CC(CN)=C1 CS-0217355 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.172 COC1=NC=CC(CN)=N1 CS-0042153 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.172 CSC1=CC=CC(CN)=C1 CS-0225351 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.172 CSC1=NC=CC(CN)=N1 CS-0150097 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.172 ClCC1=CC=CC(CCl)=N1 CS-0098571 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.172 ClCC1=CN=CC(CCl)=C1 CS-0696155 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.172 O=CC1=CC(CO)=NC=C1 CS-0618111 [0,1,0,0,0,1|1,0,1]=4 508 B10R1.172 O=CC1=CC=CC(CO)=C1 CS-0099397 [0,1,0,0,0,1|1,0,1]=4 509 B10R1.172 OCC1=CC(CCl)=CC=C1 CS-0696203 [0,1,0,0,0,1|1,0,0]=3 510 B10R1.172 OCC1=CC=CC(CBr)=N1 CS-0452216 [0,1,0,0,0,1|1,0,0]=3 511 B10R1.14 CC1=CC=C(C(=O)CCl)S1 CS-0213026 [0,2,0,0,0,0|1,1,0]=4 512 B10R1.14 CC1=CC=C(C(C)C#N)O1 CS-0256946 [0,2,0,0,0,0|1,0,0]=3 513 B10R1.14 CC1=CC=C(C(O)CN)O1 CS-0262896 [0,2,0,0,0,0|0,0,0]=2 514 B10R1.14 CCC(=O)C1=CC=C(C)S1 CS-0213315 [0,2,0,0,0,0|1,1,0]=4 515 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 CS-0030817 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 CS-0162121 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.14 COC(=O)C1=CN=C(C)O1 CS-0044019 [0,2,0,0,0,0|1,0,1]=4 518 B10R1.14 COC(=O)C1=NC=C(C)O1 CS-0048972 [0,2,0,0,0,0|1,0,1]=4 519 B10R1.16 CC1=CC=C(CCCN)S1 CS-0281597 [0,2,0,0,0,0|1,1,0]=4 520 B10R1.16 CCNCC1=CC=C(C)O1 CS-0673471 [0,2,0,0,0,0|1,0,0]=3 521 B10R1.54 CC1=CC=C(CC(=O)O)S1 CS-0251394 [0,2,0,0,0,0|0,1,0]=3 522 B10R1.54 CC1=CSC(CC(=O)O)=N1 CS-0669030 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.54 CC1=NC(CC(=O)O)=CS1 CS-0037814 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.54 CC1=NN=C(CC(=O)O)O1 CS-0106468 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.54 CN1C=CC(CC(=O)O)=N1 CS-0037801 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.54 CN1C=CC(CC(=O)O)=N1 CS-0074875 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.96 CCCN1C=CC(CO)=N1 CS-0215307 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.96 CNCC1=CC=C(CO)O1 CS-0810346 [0,2,0,0,0,0|0,0,0]=2 529 B10R1.96 COCC1=CC=C(C=O)S1 CS-0196321 [0,2,0,0,0,0|0,1,1]=4 530 B10R1.96 COCC1=NC=C(CO)S1 CS-0239783 [0,2,0,0,0,0|1,1,0]=4 531 B10R1.131 CC1=NN(CCO)C=C1Cl CS-0282793 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.31 CC(C)C1=NC(CO)=CO1 CS-0214966 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.31 CCC1=CC=C(B(O)O)S1 CS-0174929 [0,2,0,0,0,0|1,1,0]=4 534 B10R1.31 CCC1=CC=C(C(=O)O)N1 CS-0089412 [0,2,0,0,0,0|1,0,1]=4 535 B10R1.31 CCC1=CC=C(C(=O)O)O1 CS-0247276 [0,2,0,0,0,0|0,0,1]=3 536 B10R1.31 CCC1=CC=C(C(C)=O)O1 CS-0230261 [0,2,0,0,0,0|1,0,0]=3 537 B10R1.31 CCC1=CC=C(C(C)=O)S1 CS-0233207 [0,2,0,0,0,0|1,1,0]=4 538 B10R1.31 COC1=CC=C(C(=O)O)O1 CS-0243026 [0,2,0,0,0,0|0,0,1]=3 539 B10R1.31 NCC1=CC=C(C(=O)O)O1 CS-0157318 [0,2,0,0,0,0|0,0,1]=3 540 B10R1.35 CCN1C=C(Cl)C(CO)=N1 CS-0241383 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.35 COC1=CC(CO)=NN1C CS-0246692 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.34 CC1=NN(CO)C(C)=C1Br CS-0282804 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.34 CC1=NN(CO)C(C)=C1Cl CS-0282805 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 CS-0246262 [0,2,0,0,0,0|0,1,1]=4 545 B10R1.59 CC1=NC(C)=C(C(C)O)S1 CS-0251772 [0,2,0,0,0,0|1,1,0]=4 546 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 CS-0108818 [0,2,0,0,0,0|1,1,0]=4 547 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 CS-W000758 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.55 CC1=CC=C(C(F)(F)F)O1 CS-0316408 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.55 CC1=CC=[N+](C(C)(C)C)O1 CS-0380870 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.55 CC1=CSC(C(C)(C)O)=N1 CS-0036572 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.194 CC1=CC=C(C(=O)O)N1C CS-0117682 [0,2,0,0,0,0|1,0,1]=4 552 B8R1.3 CC1=NN=C(O)C=C1 CS-0050159 [0,0,1,1,0,0|2,0,0]=4 553 B8R1.3 CC1=NN=C(O)C=C1 CS-0152721 [0,0,1,1,0,0|2,0,0]=4 554 B6R0.3 C=C(CO)C(=O)O CS-0234763 [0,0,1,0,1,0|2,0,0]=4