0 B7R1.2 BrC1=CC=C(Br)[Se]1 5359AL [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 BrC1=NC=C(I)S1 X8877 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.2 CC1=CC(N)=CS1 Z4474 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1=CC=C(Cl)S1 8881AA [0,0,0,0,0,0|2,0,0]=2 4 B7R1.2 CC1=CN=C(N)N1 0439AC [0,0,0,0,0,0|2,0,0]=2 5 B7R1.2 CC1=CN=C(N)N1 3105AA [0,0,0,0,0,0|2,0,0]=2 6 B7R1.2 CC1=CN=C(N)N1 X7979 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.2 CC1=COC(C)=N1 5323AL [0,0,0,0,0,0|1,0,1]=2 8 B7R1.2 CC1=CSC(N)=C1 5740AC [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CC1=NC(Br)=CN1 W3545 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.2 CC1=NC(Br)=NN1 8783AD [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 CC1=NC(Cl)=NN1 4748AD [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 CC1=NC(N)=CS1 7776AC [0,0,0,0,0,0|2,0,1]=3 13 B7R1.2 CC1=NC=C(N)S1 Z5289 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 CC1=NN(C)N=C1 8968AB [0,0,0,0,0,0|2,0,1]=3 15 B7R1.2 CC1=NN=C(C)O1 Z4081 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 CC1=NNC(Br)=C1 Z4899 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,0,0,0|4,0,0]=4 18 B7R1.2 CC1=NOC(N)=N1 1713AE [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 CC1=NSC(Br)=N1 7937AB [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 CC1=NSC(N)=C1 1797AB [0,0,0,0,0,0|4,0,0]=4 21 B7R1.2 CC1=NSC(N)=N1 3695AA [0,0,0,0,0,0|3,0,1]=4 22 B7R1.2 CC1CNC(=S)N1 7200AD [0,0,0,0,0,0|2,0,2]=4 23 B7R1.2 CN1C=CC(Cl)=N1 9664AB [0,0,0,0,0,0|2,0,1]=3 24 B7R1.2 CN1C=CC(N)=N1 0807AQ [0,0,0,0,0,0|2,0,1]=3 25 B7R1.2 CN1C=NC(Cl)=N1 5746AE [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 CN1C=NC(I)=C1 V8393 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CN1C=NC(N)=C1 W8501 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.2 CN1C=NC(N)=N1 6721AB [0,0,0,0,0,0|3,0,1]=4 29 B7R1.2 ClC1=CC(Br)=CS1 3619AB [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 ClC1=NC(Br)=CS1 V9244 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.2 FC1=CSC(Br)=C1 5520AL [0,0,0,0,0,0|4,0,0]=4 32 B7R1.2 IC1=CNC(I)=N1 6473AD [0,0,0,0,0,0|3,0,1]=4 33 B7R1.2 IC1=COC(I)=N1 0733AQ [0,0,0,0,0,0|3,0,1]=4 34 B7R1.2 NC1=CN=C(Br)S1 Y1249 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.2 NC1=CSC(Br)=N1 W6192 [0,0,0,0,0,0|3,0,1]=4 36 B6R1.2 BrC1=CC=NS1 7852AB [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,0,0,0|1,0,2]=4 38 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,0,0,0|1,0,2]=4 39 B6R1.2 CC1=CNN=N1 W5081 [1,0,0,0,0,0|2,0,1]=4 40 B6R1.2 CC1=CON=C1 9884AB [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 CC1=CSN=N1 Y8051 [1,0,0,0,0,0|2,0,1]=4 42 B6R1.2 CC1=NOC=C1 Z4582 [1,0,0,0,0,0|1,0,1]=3 43 B6R1.2 CC1=NON=C1 W4957 [1,0,0,0,0,0|2,0,1]=4 44 B6R1.2 ClC1=NC=CS1 W5278 [1,0,0,0,0,0|2,0,1]=4 45 B6R1.2 IC1=CC=NN1 Z6311 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.2 IC1=NC=CS1 X7912 [1,0,0,0,0,0|2,0,1]=4 47 B6R1.2 NC1=CN=CN1 5028AA [1,0,0,0,0,0|2,0,0]=3 48 B6R1.2 NC1=CNC=N1 B191 [1,0,0,0,0,0|2,0,1]=4 49 B6R1.2 NN1C=CC=N1 5269AB [1,0,0,0,0,0|2,0,1]=4 50 B6R1.2 O=C1C=CCN1 V5771 [1,0,0,0,0,0|1,0,1]=3 51 B6R1.2 O=C1C=CCS1 1311AQ [1,0,0,0,0,0|2,0,1]=4 52 B6R1.2 OC1=CSC=C1 8873AA [1,0,0,0,0,0|3,0,0]=4 53 B8R1.1 BrCC1=CSC(Br)=C1 Z2517 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.1 C#CC1=CC=C(Cl)S1 6808AA [0,1,0,0,0,0|2,0,1]=4 55 B8R1.1 CC1=CC(C#N)=CS1 5746AB [0,1,0,0,0,0|2,0,1]=4 56 B8R1.1 CC1=CC(CBr)=NO1 Y7388 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.1 CC1=CC(CN)=NO1 8858AH [0,1,0,0,0,0|3,0,0]=4 58 B8R1.1 CC1=CC=C(C#N)O1 4023AD [0,1,0,0,0,0|1,0,1]=3 59 B8R1.1 CC1=CC=C(C=O)N1 3298AA [0,1,0,0,0,0|0,0,1]=2 60 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,1,0,0,0,0|1,0,0]=2 61 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,1,0,0,0,0|1,0,0]=2 63 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,1,0,0,0,0|1,0,1]=3 64 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,1,0,0,0,0|2,0,0]=3 65 B8R1.1 CC1=CSC(C#N)=C1 8938AE [0,1,0,0,0,0|2,0,1]=4 66 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.1 CC1=CSC(NN)=N1 7074AA [0,1,0,0,0,0|2,0,1]=4 68 B8R1.1 CC1=CSC(NN)=N1 8798AH [0,1,0,0,0,0|2,0,1]=4 69 B8R1.1 CC1=NC(CBr)=NO1 4500AF [0,1,0,0,0,0|2,0,1]=4 70 B8R1.1 CC1=NC(CCl)=CS1 2148AC [0,1,0,0,0,0|1,0,1]=3 71 B8R1.1 CC1=NC(CN)=NN1 3635AD [0,1,0,0,0,0|2,0,1]=4 72 B8R1.1 CC1=NC(CO)=NO1 8569AD [0,1,0,0,0,0|2,0,1]=4 73 B8R1.1 CC1=NC=C(CN)S1 9600AB [0,1,0,0,0,0|2,0,0]=3 74 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,1,0,0,0,0|2,0,0]=3 75 B8R1.1 CC1=NN=C(CN)O1 8854AH [0,1,0,0,0,0|3,0,0]=4 76 B8R1.1 CC1=NOC(CCl)=C1 5416AB [0,1,0,0,0,0|3,0,0]=4 77 B8R1.1 CC1=NOC(CN)=C1 0875AC [0,1,0,0,0,0|3,0,0]=4 78 B8R1.1 CC1=NOC(CN)=C1 Y7628 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.1 CC1=NOC(CN)=N1 8442AD [0,1,0,0,0,0|2,0,1]=4 80 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,1,0,0,0,0|3,0,0]=4 81 B8R1.1 CCC1=CSC(Cl)=N1 V9898 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.1 CCC1=CSC(N)=N1 V5347 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.1 CCC1=NC(Br)=CS1 2688AJ [0,1,0,0,0,0|2,0,1]=4 84 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,1,0,0,0,0|3,0,0]=4 85 B8R1.1 CCC1=NN=C(N)N1 V4525 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,1,0,0,0,0|2,0,1]=4 87 B8R1.1 CCN1C=CC(C)=N1 9609AD [0,1,0,0,0,0|1,0,1]=3 88 B8R1.1 CCN1C=CC(I)=N1 X6246 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.1 CN1C=C(CCl)C=N1 8978AE [0,1,0,0,0,0|3,0,0]=4 90 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,1,0,0,0,0|1,0,1]=3 91 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,1,0,0,0,0|1,0,1]=3 92 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,1,0,0,0,0|1,0,1]=3 93 B8R1.1 CN1C=NC(CCl)=N1 X9907 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.1 CN1C=NC(CN)=C1 6782AA [0,1,0,0,0,0|3,0,0]=4 95 B8R1.1 CNC1=NC(C)=CS1 V4374 [0,1,0,0,0,0|1,0,1]=3 96 B8R1.1 CNC1=NN=C(C)S1 3670AL [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 COC1=NC=C(Br)S1 Y9132 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 CSC1=CC(Br)=CS1 Z0932 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.1 CSC1=CN=C(N)S1 6948AC [0,1,0,0,0,0|3,0,0]=4 101 B8R1.1 CSC1=NC(Br)=CS1 Y8174 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,1,0,0,0,0|1,0,1]=3 103 B8R1.1 ClC1=NC(CBr)=CO1 Y5526 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.1 ClCC1=CC(Br)=CS1 8780AA [0,1,0,0,0,0|3,0,0]=4 105 B8R1.1 ClCC1=CSC(Br)=N1 7296AB [0,1,0,0,0,0|2,0,1]=4 106 B8R1.1 N#CC1=CC=C(F)S1 3613AB [0,1,0,0,0,0|2,0,1]=4 107 B8R1.1 N#CC1=CC=C(I)S1 6376AD [0,1,0,0,0,0|2,0,1]=4 108 B8R1.1 N#CC1=CC=C(I)S1 9875AA [0,1,0,0,0,0|2,0,1]=4 109 B8R1.1 NCC1=CC(Br)=CS1 W6461 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 NCC1=CC=C(Br)S1 9162AB [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 NCC1=CC=C(Cl)S1 5432AE [0,1,0,0,0,0|2,0,0]=3 112 B8R1.1 NCC1=NNC(=O)N1 5225AH [0,1,0,0,0,0|3,0,0]=4 113 B8R1.1 O=CC1=CNC(=O)N1 1313AC [0,1,0,0,0,0|2,0,1]=4 114 B8R1.1 OCC1=CC(Br)=CO1 8845AB [0,1,0,0,0,0|3,0,0]=4 115 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.1 OCC1=CC=C(F)S1 2754AC [0,1,0,0,0,0|2,0,0]=3 117 B8R1.1 OCC1=COC(Br)=N1 1802AA [0,1,0,0,0,0|2,0,1]=4 118 B8R1.1 OCC1=COC(Cl)=N1 Y5525 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.1 OCC1=CSC(Cl)=C1 1477AC [0,1,0,0,0,0|3,0,0]=4 120 B8R1.1 OCC1=CSC(Cl)=N1 7297AB [0,1,0,0,0,0|2,0,1]=4 121 B8R1.1 OCC1=NC(Br)=CS1 0499AB [0,1,0,0,0,0|2,0,1]=4 122 B8R1.1 OCC1=NC=C(Br)S1 5203AC [0,1,0,0,0,0|3,0,0]=4 123 B8R1.18 CC1=C(Br)N=C(N)S1 3656AA [0,1,0,0,0,0|3,0,0]=4 124 B8R1.18 CC1=C(Br)SC(Br)=N1 Y5554 [0,1,0,0,0,0|2,0,1]=4 125 B8R1.18 CC1=C(C)NC(=O)N1 1527AA [0,1,0,0,0,0|2,0,0]=3 126 B8R1.18 CC1=C(C)OC(N)=N1 6278AB [0,1,0,0,0,0|2,0,1]=4 127 B8R1.18 CC1=C(Cl)SC(Cl)=C1 F300 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.18 CC1=C(Cl)SC(N)=N1 V6431 [0,1,0,0,0,0|2,0,1]=4 129 B8R1.18 CC1=CC(S)=C(C)O1 U424 [0,1,0,0,0,0|1,0,0]=2 130 B8R1.18 CC1=NC(Br)=C(Br)N1 V0765 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.18 CC1=NN(C)C(Cl)=N1 5750AE [0,1,0,0,0,0|2,0,1]=4 132 B8R1.18 CC1=NN(C)C=C1Cl 5020AD [0,1,0,0,0,0|1,0,1]=3 133 B8R1.18 CC1=NN(C)N=C1Br 6070AC [0,1,0,0,0,0|2,0,1]=4 134 B8R1.18 CN1N=C(N)C=C1Br 4711AC [0,1,0,0,0,0|2,0,1]=4 135 B8R1.18 ClC1=C(Cl)SC(Br)=C1 2884AC [0,1,0,0,0,0|3,0,0]=4 136 B8R1.18 O=C1C=C(Br)C(=O)N1 3917AE [0,1,0,0,0,0|2,0,0]=3 137 B8R1.50 CC1=CC=C(C)N1C 4413AL [0,1,0,0,0,0|0,0,0]=1 138 B8R1.50 CC1=CSC(C)=C1Br 2426AC [0,1,0,0,0,0|2,0,0]=3 139 B8R1.50 CC1=NN=C(N)N1N 7313AD [0,1,0,0,0,0|3,0,0]=4 140 B8R1.50 CC1=NN=C(S)N1C V5669 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.50 CC1=NN=C(S)N1N 7116AD [0,1,0,0,0,0|3,0,0]=4 142 B8R1.50 CC1=NNC(C)=C1C 5490AE [0,1,0,0,0,0|3,0,0]=4 143 B8R1.50 CC1=NNC(C)=C1N V6403 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.50 CC1=NOC(C)=C1Cl 8232AC [0,1,0,0,0,0|3,0,0]=4 145 B8R1.50 CN1C(Br)=CN=C1Br V6493 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.50 O=C1C=CC(=O)N1O P914 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.1 C=CC(C)CCC 6092AL [0,0,1,0,0,0|1,0,2]=4 148 B6R0.2 CC(=O)SC(C)=O 7216AF [0,0,1,0,0,0|3,0,0]=4 149 B6R0.4 CCCC=C(C)C 5704AL [0,0,1,0,0,0|1,0,2]=4 150 B6R0.4 CC\C=C\C(=O)O 6805AA [0,0,1,0,0,0|2,0,1]=4 151 B6R0.4 C\C=C\CC(C)C 6798AL [0,0,1,0,0,0|1,0,2]=4 152 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [0,0,0,0,0,1|2,0,1]=4 153 B8R1.3 CC1=CN=C(C)N=C1 1431AB [0,0,0,0,0,1|1,0,1]=3 154 B8R1.3 CC1=CN=C(I)C=C1 5573AJ [0,0,0,0,0,1|1,0,1]=3 155 B8R1.3 CC1=NC=C(F)C=N1 7849AB [0,0,0,0,0,1|2,0,1]=4 156 B8R1.3 NC1=CN=C(N)C=C1 X9372 [0,0,0,0,0,1|2,0,1]=4 157 B8R1.3 NC1=CN=C(O)C=C1 X9224 [0,0,0,0,0,1|2,0,1]=4 158 B8R1.3 NC1=NC=C(O)C=C1 X4178 [0,0,0,0,0,1|2,0,1]=4 159 B8R1.3 NC1=NNC(=O)C=C1 0249AA [0,0,0,0,0,1|2,0,0]=3 160 B8R1.3 O=C1C=CC(Br)=NN1 X3918 [0,0,0,0,0,1|2,0,0]=3 161 B8R1.3 S=C1N=CC(Cl)=CN1 0391AQ [0,0,0,0,0,1|3,0,0]=4 162 B8R1.4 CC1=CC(=O)NC=C1 X3603 [0,0,0,0,0,1|2,0,0]=3 163 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,0,0,0,0,1|3,0,0]=4 164 B8R1.4 CC1=CC(N)=NN=C1 7108AA [0,0,0,0,0,1|3,0,0]=4 165 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [0,0,0,0,0,1|1,0,0]=2 166 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [0,0,0,0,0,1|2,0,0]=3 167 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [0,0,0,0,0,1|2,0,0]=3 168 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,0,0,0,0,1|3,0,0]=4 169 B8R1.4 ClC1=NC=CC(Br)=N1 V4511 [0,0,0,0,0,1|2,0,1]=4 170 B8R1.4 IC1=CN=CC(I)=C1 7672AB [0,0,0,0,0,1|3,0,0]=4 171 B8R1.4 NC1=CC(Cl)=NC=C1 1677AJ [0,0,0,0,0,1|3,0,0]=4 172 B8R1.4 NC1=CC(F)=CN=C1 Y4462 [0,0,0,0,0,1|3,0,0]=4 173 B8R1.4 NC1=CC(O)=CC=C1 I722 [0,0,0,0,0,1|3,0,0]=4 174 B8R1.4 NC1=CC(O)=CN=C1 X9269 [0,0,0,0,0,1|3,0,0]=4 175 B8R1.4 NC1=CC=CC(N)=N1 7294AA [0,0,0,0,0,1|2,0,1]=4 176 B8R1.4 NC1=CC=CC(O)=C1 7262AB [0,0,0,0,0,1|3,0,0]=4 177 B8R1.4 NC1=CN=CC(N)=N1 W6186 [0,0,0,0,0,1|2,0,1]=4 178 B8R1.4 NC1=CN=CC(N)=N1 Z4125 [0,0,0,0,0,1|2,0,1]=4 179 B8R1.4 NC1=NC=CC(Cl)=C1 5606AH [0,0,0,0,0,1|3,0,0]=4 180 B8R1.4 O=C1C=CN=C(Cl)N1 8163AB [0,0,0,0,0,1|2,0,0]=3 181 B8R1.4 OC1=CC(F)=NC=C1 W4593 [0,0,0,0,0,1|3,0,0]=4 182 B8R1.4 OC1=CN=CC(I)=C1 7258AD [0,0,0,0,0,1|3,0,0]=4 183 B8R1.4 SC1=CC=CC(S)=C1 4506AL [0,0,0,0,0,1|3,0,0]=4 184 B5R0.1 C=CCC(=C)C 5694AL [1,0,1,0,0,0|1,0,0]=3 185 B5R0.1 C=CCC(N)=O Y1568 [1,0,1,0,0,0|1,0,1]=4 186 B5R0.1 CCC=C(C)C 7499AF [1,0,1,0,0,0|1,0,1]=4 187 B5R0.1 C\C=C\C(C)C 7501AF [1,0,1,0,0,0|1,0,1]=4 188 B5R0.1 C\C=C\C(N)=O 7909AD [1,0,1,0,0,0|1,0,0]=3 189 B5R0.2 C=CC\C=C/C 0307AQ [1,0,1,0,0,0|0,0,2]=4 190 B5R0.3 C\C(C=O)=C/N 3293AB [1,0,1,0,0,0|2,0,0]=4 191 B5R0.3 C\C=C(/C)CC 0241AQ [1,0,1,0,0,0|0,0,2]=4 192 B5R0.3 C\C=C(/C)CC 9220AL [1,0,1,0,0,0|0,0,2]=4 193 B5R0.3 C\C=C(\C)CC 7440AL [1,0,1,0,0,0|0,0,2]=4 194 B5R1.1 C1=CSN=C1 Z4550 [2,0,0,0,0,0|1,0,1]=4 195 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,1,1,0,0,0|1,0,1]=4 196 B7R0.3 C=CC(=O)NCCC 3769AL [0,1,1,0,0,0|1,0,1]=4 197 B7R0.3 C=CC(=O)NCCN 1689AB [0,1,1,0,0,0|1,0,1]=4 198 B7R0.7 C=COC(=O)\C=C\C E081 [0,1,1,0,0,0|2,0,0]=4 199 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [0,1,1,0,0,0|2,0,0]=4 200 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,1,1,0,0,0|1,0,1]=4 201 B7R1.1 BrCC1=CN=CS1 Y7777 [1,1,0,0,0,0|2,0,0]=4 202 B7R1.1 BrCC1=COC=N1 1429AA [1,1,0,0,0,0|1,0,1]=4 203 B7R1.1 BrCC1=NC=CN1 1423AC [1,1,0,0,0,0|1,0,0]=3 204 B7R1.1 CCC1=CC=NO1 3273AB [1,1,0,0,0,0|2,0,0]=4 205 B7R1.1 CCC1=CNC=N1 6226AL [1,1,0,0,0,0|1,0,1]=4 206 B7R1.1 CCC1=NNC=C1 6654AA [1,1,0,0,0,0|1,0,1]=4 207 B7R1.1 CNC1=NC=CO1 6947AC [1,1,0,0,0,0|1,0,1]=4 208 B7R1.1 COC1=CC=CO1 2109AL [1,1,0,0,0,0|1,0,0]=3 209 B7R1.1 CSC1=CNC=N1 X6327 [1,1,0,0,0,0|1,0,1]=4 210 B7R1.1 CSC1=NC=CO1 6777AD [1,1,0,0,0,0|1,0,1]=4 211 B7R1.1 ClCC1=CN=CO1 8892AA [1,1,0,0,0,0|2,0,0]=4 212 B7R1.1 ClCC1=COC=N1 0393AC [1,1,0,0,0,0|1,0,1]=4 213 B7R1.1 ClCC1=NC=CS1 1126AC [1,1,0,0,0,0|1,0,1]=4 214 B7R1.1 ClCC1=NC=CS1 W5535 [1,1,0,0,0,0|1,0,1]=4 215 B7R1.1 NCC1=CC=CN1 W7617 [1,1,0,0,0,0|0,0,0]=2 216 B7R1.1 NCC1=CC=NN1 4193AH [1,1,0,0,0,0|1,0,0]=3 217 B7R1.1 NCC1=COC=C1 Y7389 [1,1,0,0,0,0|2,0,0]=4 218 B7R1.1 NCC1=COC=C1 Y9148 [1,1,0,0,0,0|2,0,0]=4 219 B7R1.1 NCC1=COC=N1 Y1477 [1,1,0,0,0,0|1,0,1]=4 220 B7R1.1 NCC1=CSC=C1 Z3907 [1,1,0,0,0,0|2,0,0]=4 221 B7R1.1 NCC1=CSC=N1 0159AD [1,1,0,0,0,0|1,0,1]=4 222 B7R1.1 NCC1=NC=CN1 1371AB [1,1,0,0,0,0|1,0,0]=3 223 B7R1.1 NCC1=NC=CO1 0960AA [1,1,0,0,0,0|1,0,1]=4 224 B7R1.1 NCC1=NC=NN1 1729AJ [1,1,0,0,0,0|2,0,0]=4 225 B7R1.1 NCC1=NC=NN1 8323AH [1,1,0,0,0,0|2,0,0]=4 226 B7R1.1 O=CC1=CC=C[Se]1 5634AL [1,1,0,0,0,0|1,0,1]=4 227 B7R1.1 OCC1=CC=NO1 6850AC [1,1,0,0,0,0|2,0,0]=4 228 B7R1.1 OCC1=NNC=C1 X6393 [1,1,0,0,0,0|1,0,1]=4 229 B7R1.4 CC1=C(Br)C=CO1 2185AJ [1,1,0,0,0,0|1,0,0]=3 230 B7R1.4 CC1=C(C)OC=N1 X5138 [1,1,0,0,0,0|1,0,1]=4 231 B7R1.4 CC1=CNC=C1C 2295AL [1,1,0,0,0,0|2,0,0]=4 232 B7R1.4 CC1=NN=CN1N 8795AD [1,1,0,0,0,0|2,0,0]=4 233 B7R1.4 CC1=NOC=C1N 4428AB [1,1,0,0,0,0|1,0,1]=4 234 B7R1.4 CN1C=CN=C1N Z5007 [1,1,0,0,0,0|2,0,0]=4 235 B7R1.4 CN1C=NC=C1N Y1665 [1,1,0,0,0,0|2,0,0]=4 236 B7R1.4 CN1SC=CC1=O P432 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [0,1,0,0,0,1|1,0,1]=4 238 B9R1.1 CC1=CC=C(C#N)N=N1 4296AE [0,1,0,0,0,1|0,0,2]=4 239 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [0,1,0,0,0,1|1,0,1]=4 240 B9R1.1 CC1=CN=C(CCl)N=C1 5238AA [0,1,0,0,0,1|1,0,1]=4 241 B9R1.1 CC1=CN=C(CCl)N=C1 W8706 [0,1,0,0,0,1|1,0,1]=4 242 B9R1.1 CC1=CN=C(CO)N=C1 5144AC [0,1,0,0,0,1|1,0,1]=4 243 B9R1.1 CC1=CN=C(NN)C=C1 6685AB [0,1,0,0,0,1|1,0,1]=4 244 B9R1.1 CC1=NC=C(CBr)C=N1 2514AC [0,1,0,0,0,1|1,0,1]=4 245 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [0,1,0,0,0,1|0,0,1]=3 246 B9R1.1 CC1=NC=C(CN)C=N1 6982AA [0,1,0,0,0,1|1,0,1]=4 247 B9R1.1 CC1=NN=C(NN)C=C1 W5942 [0,1,0,0,0,1|1,0,1]=4 248 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,1,0,0,0,1|1,0,0]=3 249 B9R1.1 CCC1=CC=C(Cl)C=N1 2584AA [0,1,0,0,0,1|1,0,1]=4 250 B9R1.1 CCC1=CC=C(N)C=N1 5249AA [0,1,0,0,0,1|1,0,1]=4 251 B9R1.1 CCC1=CC=C(S)C=C1 S243 [0,1,0,0,0,1|2,0,0]=4 252 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,1,0,0,0,1|1,0,0]=3 253 B9R1.1 CNC1=CC=C(Br)C=C1 V7923 [0,1,0,0,0,1|2,0,0]=4 254 B9R1.1 CNC1=CC=C(Cl)C=C1 V5059 [0,1,0,0,0,1|2,0,0]=4 255 B9R1.1 CNC1=CC=C(N)C=C1 F921 [0,1,0,0,0,1|2,0,0]=4 256 B9R1.1 CNC1=NC=C(N)C=C1 2702AB [0,1,0,0,0,1|1,0,1]=4 257 B9R1.1 COC1=NN=C(I)C=C1 8933AA [0,1,0,0,0,1|1,0,1]=4 258 B9R1.1 CSC1=CC=C(S)C=C1 U208 [0,1,0,0,0,1|2,0,0]=4 259 B9R1.1 CSC1=CN=C(Br)C=C1 Z0124 [0,1,0,0,0,1|1,0,1]=4 260 B9R1.1 CSC1=NC=C(C)C=N1 Z2994 [0,1,0,0,0,1|1,0,1]=4 261 B9R1.1 CSC1=NC=C(Cl)C=C1 Z1031 [0,1,0,0,0,1|1,0,1]=4 262 B9R1.1 C[N+]1=CC=C(CO)C=C1 7356AE [0,1,0,0,0,1|2,0,0]=4 263 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [0,1,0,0,0,1|1,0,1]=4 264 B9R1.1 ClCC1=NC=C(Cl)C=C1 7439AC [0,1,0,0,0,1|1,0,1]=4 265 B9R1.1 NC1=CC=C(CO)N=C1 8824AH [0,1,0,0,0,1|1,0,1]=4 266 B9R1.1 NCC1=CNC(=O)C=C1 5770AA [0,1,0,0,0,1|1,0,0]=3 267 B9R1.1 NCC1=NC=C(Br)C=C1 8830AH [0,1,0,0,0,1|1,0,1]=4 268 B9R1.1 NCC1=NC=C(Br)C=C1 W3796 [0,1,0,0,0,1|1,0,1]=4 269 B9R1.1 OCC1=CC=C(Cl)N=N1 0342AA [0,1,0,0,0,1|1,0,1]=4 270 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [0,1,0,0,0,1|1,0,1]=4 271 B9R1.69 CC1=C(Br)C=C(O)C=N1 Y8080 [0,1,0,0,0,1|1,0,1]=4 272 B9R1.69 CC1=C(Cl)C=C(N)C=N1 4848AC [0,1,0,0,0,1|1,0,1]=4 273 B9R1.69 CC1=C(F)C=C(F)C=C1 X4510 [0,1,0,0,0,1|2,0,0]=4 274 B9R1.69 CC1=CC(C)=C(I)N=C1 6146AB [0,1,0,0,0,1|1,0,1]=4 275 B9R1.69 CC1=CC(C)=NC=C1O 8941AD [0,1,0,0,0,1|1,0,1]=4 276 B9R1.69 CC1=CC(I)=C(Br)N=C1 0052AC [0,1,0,0,0,1|1,0,1]=4 277 B9R1.69 CC1=CC(I)=C(Cl)N=C1 8904AB [0,1,0,0,0,1|1,0,1]=4 278 B9R1.69 CC1=CC(N)=C(N)C=C1 1704AA [0,1,0,0,0,1|2,0,0]=4 279 B9R1.69 CC1=CC=C(Br)N=C1Br 4933AH [0,1,0,0,0,1|1,0,1]=4 280 B9R1.69 CC1=CC=C(C)C(N)=C1 7917AF [0,1,0,0,0,1|1,0,0]=3 281 B9R1.69 CC1=CC=C(C)C(S)=C1 L103 [0,1,0,0,0,1|1,0,0]=3 282 B9R1.69 CC1=CC=C(Cl)N=C1I 3354AD [0,1,0,0,0,1|1,0,1]=4 283 B9R1.69 CC1=CC=C(I)C(N)=N1 W9073 [0,1,0,0,0,1|1,0,1]=4 284 B9R1.69 CC1=CC=C(N)C(C)=C1 5318AL [0,1,0,0,0,1|2,0,0]=4 285 B9R1.69 CC1=CC=C(N)C(O)=N1 Z8999 [0,1,0,0,0,1|1,0,1]=4 286 B9R1.69 CC1=CC=C(N)N=C1N 7196AB [0,1,0,0,0,1|1,0,1]=4 287 B9R1.69 CC1=CC=C(O)C(Cl)=N1 V5467 [0,1,0,0,0,1|1,0,1]=4 288 B9R1.69 CC1=CC=C(O)C(F)=N1 N386 [0,1,0,0,0,1|1,0,1]=4 289 B9R1.69 CC1=CC=C(O)C(N)=N1 W4287 [0,1,0,0,0,1|1,0,1]=4 290 B9R1.69 CC1=CC=C(O)C=C1I Z0737 [0,1,0,0,0,1|2,0,0]=4 291 B9R1.69 CC1=CC=C(S)C=C1F 7321AE [0,1,0,0,0,1|2,0,0]=4 292 B9R1.69 CC1=CN=C(Br)C=C1Cl 0797AA [0,1,0,0,0,1|1,0,1]=4 293 B9R1.69 CC1=CN=C(Cl)C(C)=C1 Y9908 [0,1,0,0,0,1|1,0,1]=4 294 B9R1.69 CC1=CN=C(Cl)C=C1C 1648AJ [0,1,0,0,0,1|1,0,1]=4 295 B9R1.69 CC1=CN=C(F)C(O)=C1 Y3761 [0,1,0,0,0,1|1,0,1]=4 296 B9R1.69 CC1=CN=C(N)C(N)=C1 W4808 [0,1,0,0,0,1|1,0,1]=4 297 B9R1.69 CC1=CN=C(N)C=C1Br 0796AA [0,1,0,0,0,1|1,0,1]=4 298 B9R1.69 CC1=CN=C(N)C=C1Cl 0795AA [0,1,0,0,0,1|1,0,1]=4 299 B9R1.69 CC1=CN=C(O)C(N)=C1 Z8991 [0,1,0,0,0,1|1,0,1]=4 300 B9R1.69 CC1=C[N+]([O-])=C(Cl)C=C1 V4169 [0,1,0,0,0,1|1,0,1]=4 301 B9R1.69 CC1=NC(N)=C(N)C=C1 3859AB [0,1,0,0,0,1|1,0,1]=4 302 B9R1.69 CC1=NC=C(Br)C(Cl)=C1 Z6267 [0,1,0,0,0,1|1,0,1]=4 303 B9R1.69 CC1=NC=C(Cl)C=C1Br Y6602 [0,1,0,0,0,1|1,0,1]=4 304 B9R1.69 CC1=NC=C(Cl)C=C1F Z8272 [0,1,0,0,0,1|1,0,1]=4 305 B9R1.69 CC1=NC=C(F)C(Cl)=C1 Y7793 [0,1,0,0,0,1|1,0,1]=4 306 B9R1.69 CC1=NC=C(I)C(N)=C1 X5596 [0,1,0,0,0,1|1,0,1]=4 307 B9R1.69 CC1=NNC(=O)C(N)=C1 4121AD [0,1,0,0,0,1|1,0,0]=3 308 B9R1.69 CN1C=C(N)C=CC1=O 6315AJ [0,1,0,0,0,1|2,0,0]=4 309 B9R1.69 O=C1NC(Cl)=CC=C1Br 3079AC [0,1,0,0,0,1|2,0,0]=4 310 B9R1.69 O=C1NC=C(I)C=C1Br 9745AB [0,1,0,0,0,1|2,0,0]=4 311 B9R1.2 BrCC1=CC(Br)=NC=C1 6323AA [0,1,0,0,0,1|2,0,0]=4 312 B9R1.2 BrCC1=CC(Br)=NC=C1 Z1895 [0,1,0,0,0,1|2,0,0]=4 313 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [0,1,0,0,0,1|1,0,1]=4 314 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [0,1,0,0,0,1|1,0,1]=4 315 B9R1.2 CC1=CC(C#N)=CN=C1 5922AB [0,1,0,0,0,1|1,0,1]=4 316 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [0,1,0,0,0,1|1,0,0]=3 317 B9R1.2 CC1=CC(CN)=CC=N1 6141AC [0,1,0,0,0,1|1,0,0]=3 318 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [0,1,0,0,0,1|1,0,0]=3 319 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [0,1,0,0,0,1|1,0,0]=3 320 B9R1.2 CC1=CC(CO)=NC=C1 Z4739 [0,1,0,0,0,1|1,0,0]=3 321 B9R1.2 CC1=CC=CC(CBr)=N1 Y9700 [0,1,0,0,0,1|0,0,1]=3 322 B9R1.2 CC1=CC=CC(NN)=N1 W6763 [0,1,0,0,0,1|1,0,1]=4 323 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [0,1,0,0,0,1|0,0,2]=4 324 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [0,1,0,0,0,1|0,0,1]=3 325 B9R1.2 CC1=NC(C#N)=NC=C1 2189AC [0,1,0,0,0,1|0,0,2]=4 326 B9R1.2 CC1=NC(CO)=NC=C1 Y3221 [0,1,0,0,0,1|0,0,1]=3 327 B9R1.2 CC1=NC=CC(C#N)=C1 1229AB [0,1,0,0,0,1|1,0,1]=4 328 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [0,1,0,0,0,1|1,0,1]=4 329 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [0,1,0,0,0,1|2,0,0]=4 330 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [0,1,0,0,0,1|2,0,0]=4 331 B9R1.2 CCC1=CC=NC(Cl)=C1 5411AB [0,1,0,0,0,1|2,0,0]=4 332 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,1,0,0,0,1|0,0,1]=3 333 B9R1.2 CNC1=NC(N)=NC=C1 0200AA [0,1,0,0,0,1|1,0,1]=4 334 B9R1.2 COC1=CC(C)=CN=C1 2251AC [0,1,0,0,0,1|1,0,0]=3 335 B9R1.2 COC1=CN=CC(Br)=N1 Y5654 [0,1,0,0,0,1|1,0,1]=4 336 B9R1.2 COC1=CN=CC(F)=C1 Y3600 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.2 COC1=CN=CC(I)=C1 1202AF [0,1,0,0,0,1|2,0,0]=4 338 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [0,1,0,0,0,1|2,0,0]=4 339 B9R1.2 COC1=NC(=O)C=CN1 W4926 [0,1,0,0,0,1|1,0,1]=4 340 B9R1.2 COC1=NC(C)=CN=C1 2865AB [0,1,0,0,0,1|0,0,1]=3 341 B9R1.2 CSC1=CC=CC(O)=C1 1026AE [0,1,0,0,0,1|2,0,0]=4 342 B9R1.2 CSC1=NC(C)=CN=C1 2879AB [0,1,0,0,0,1|0,0,1]=3 343 B9R1.2 CSC1=NC=CC(Br)=N1 W9785 [0,1,0,0,0,1|1,0,1]=4 344 B9R1.2 CSC1=NC=CC(Cl)=C1 W5514 [0,1,0,0,0,1|2,0,0]=4 345 B9R1.2 ClC1=CC(CBr)=CC=N1 Y1576 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.2 ClCC1=CC(Cl)=CN=C1 2237AJ [0,1,0,0,0,1|2,0,0]=4 347 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [0,1,0,0,0,1|2,0,0]=4 348 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [0,1,0,0,0,1|2,0,0]=4 349 B9R1.2 FC1=CC=CC(CBr)=N1 Z3784 [0,1,0,0,0,1|1,0,1]=4 350 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [0,1,0,0,0,1|2,0,0]=4 351 B9R1.2 NC1=NC(CO)=CC=N1 1009AB [0,1,0,0,0,1|1,0,1]=4 352 B9R1.2 NCC1=CC(=O)NC=C1 6129AC [0,1,0,0,0,1|2,0,0]=4 353 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [0,1,0,0,0,1|2,0,0]=4 354 B9R1.2 NCC1=CC(N)=NC=C1 5441AJ [0,1,0,0,0,1|2,0,0]=4 355 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [0,1,0,0,0,1|1,0,1]=4 356 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [0,1,0,0,0,1|1,0,1]=4 357 B9R1.2 NCC1=NC(F)=CC=C1 4862AA [0,1,0,0,0,1|1,0,1]=4 358 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [0,1,0,0,0,1|1,0,1]=4 359 B9R1.2 NCC1=NC=CC(Br)=C1 W8887 [0,1,0,0,0,1|2,0,0]=4 360 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [0,1,0,0,0,1|2,0,0]=4 361 B9R1.2 O=CC1=CC=CC(=O)N1 4493AB [0,1,0,0,0,1|1,0,1]=4 362 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.2 OC1=NC(CCl)=NC=C1 Y3173 [0,1,0,0,0,1|1,0,1]=4 364 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [0,1,0,0,0,1|2,0,0]=4 365 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [0,1,0,0,0,1|1,0,1]=4 366 B9R1.3 CC1=C(Br)C(F)=NC=C1 W9077 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.3 CC1=C(I)C(N)=NC=C1 4335AA [0,1,0,0,0,1|2,0,0]=4 368 B9R1.3 CC1=C(N)C(I)=CC=C1 2097AL [0,1,0,0,0,1|2,0,0]=4 369 B9R1.3 CC1=CC=CC(I)=C1F X4532 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.3 CC1=CC=NC(Br)=C1I 4122AC [0,1,0,0,0,1|2,0,0]=4 371 B9R1.3 CC1=CN=CC(N)=C1N Y7493 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.3 CC1=NC=CC(Cl)=C1F 3345AA [0,1,0,0,0,1|2,0,0]=4 373 B9R1.3 CC1=NC=CC(O)=C1O 2121AL [0,1,0,0,0,1|2,0,0]=4 374 B9R1.3 CC1=NC=NC(C)=C1N W9342 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.3 CC1=NC=NC(C)=C1O 0901AC [0,1,0,0,0,1|2,0,0]=4 376 B9R1.3 CN1C(=O)C=CC=C1Cl 8859AA [0,1,0,0,0,1|2,0,0]=4 377 B9R1.34 CC1=CC(=O)C=C(O)O1 0884AC [0,1,0,0,0,1|2,0,0]=4 378 B9R1.34 CC1=CC(=O)OC(C)=C1 1366AQ [0,1,0,0,0,1|1,0,0]=3 379 B9R1.34 CC1=CC(Br)=CC(N)=C1 Y4844 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.34 CC1=CC(Br)=CC(N)=N1 7408AB [0,1,0,0,0,1|1,0,1]=4 381 B9R1.34 CC1=CC(Br)=NC(F)=C1 V3898 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.34 CC1=CC(C)=NC(I)=N1 5427AD [0,1,0,0,0,1|1,0,1]=4 383 B9R1.34 CC1=CC(I)=CC(Br)=C1 Z7791 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.34 CC1=CC(N)=NC(N)=N1 Z4305 [0,1,0,0,0,1|1,0,1]=4 385 B9R1.34 CC1=CC(N)=NC(S)=N1 Z2808 [0,1,0,0,0,1|1,0,1]=4 386 B9R1.34 CC1=NC(Cl)=CC(Br)=C1 Z8243 [0,1,0,0,0,1|1,0,1]=4 387 B9R1.34 CC1=NC(N)=NC(S)=C1 Z2491 [0,1,0,0,0,1|1,0,1]=4 388 B9R1.34 NC1=CC(=S)N=C(N)N1 8196AB [0,1,0,0,0,1|2,0,0]=4 389 B9R1.34 O=C1C=C(Cl)N=C(Cl)N1 X9460 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.34 O=C1C=C(I)NC(=O)N1 U924 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.7 C=CCC1=CC=C(Br)S1 5032AD [0,2,0,0,0,0|2,0,0]=4 392 B9R1.7 CC1=CC=C(CCN)S1 5238AJ [0,2,0,0,0,0|1,0,0]=3 393 B9R1.7 CC1=CC=C(CCN)S1 9610AD [0,2,0,0,0,0|1,0,0]=3 394 B9R1.7 CC1=CN=C(CCN)N1 2107AF [0,2,0,0,0,0|1,0,0]=3 395 B9R1.7 CC1=CNC(CCN)=N1 4655AC [0,2,0,0,0,0|1,0,1]=4 396 B9R1.7 CC1=CSC(CC#N)=N1 Y8135 [0,2,0,0,0,0|1,0,1]=4 397 B9R1.7 CC1=CSC(CCN)=N1 9292AB [0,2,0,0,0,0|1,0,1]=4 398 B9R1.7 CCCC1=NC(C)=CN1 4781AB [0,2,0,0,0,0|1,0,1]=4 399 B9R1.7 CNCC1=CC(C)=CS1 Y4552 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.7 CNCC1=CC=C(Br)O1 2148AF [0,2,0,0,0,0|2,0,0]=4 401 B9R1.7 CNCC1=CC=C(C)S1 2719AC [0,2,0,0,0,0|1,0,0]=3 402 B9R1.7 CNCC1=CC=C(C)S1 5250AC [0,2,0,0,0,0|1,0,0]=3 403 B9R1.7 CNCC1=NC(C)=CS1 3596AL [0,2,0,0,0,0|1,0,1]=4 404 B9R1.7 NCCC1=CC=C(Br)S1 1209AJ [0,2,0,0,0,0|2,0,0]=4 405 B9R1.21 CCN1C=CC(CN)=N1 4395AF [0,2,0,0,0,0|1,0,1]=4 406 B9R1.21 CSC1=CC=C(C#N)S1 5789AD [0,2,0,0,0,0|1,0,1]=4 407 B9R1.21 N#CC1=CC=C(CN)O1 2978AJ [0,2,0,0,0,0|1,0,1]=4 408 B9R1.21 N#CC1=CC=C(CN)S1 1403AB [0,2,0,0,0,0|1,0,1]=4 409 B9R1.21 N#CC1=CC=C(CN)S1 8872AA [0,2,0,0,0,0|1,0,1]=4 410 B9R1.21 O=CC1=CC=C(CO)N1 0366AC [0,2,0,0,0,0|0,0,1]=3 411 B9R1.22 CC1=CC(C=O)=C(C)N1 V4423 [0,2,0,0,0,0|0,0,0]=2 412 B9R1.22 CC1=NC(C)=C(C=O)O1 0653AC [0,2,0,0,0,0|1,0,1]=4 413 B9R1.22 CC1=NC(C)=C(CO)O1 7282AD [0,2,0,0,0,0|1,0,1]=4 414 B9R1.22 CC1=NC(C)=C(CO)S1 W6569 [0,2,0,0,0,0|1,0,1]=4 415 B9R1.22 CC1=NC(C=O)=C(C)N1 0528AC [0,2,0,0,0,0|1,0,0]=3 416 B9R1.22 CC1=NC(C=O)=C(C)O1 Y4728 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.22 CC1=NC(CCl)=C(C)O1 Y4075 [0,2,0,0,0,0|1,0,1]=4 418 B9R1.22 CC1=NN(C)C(CBr)=C1 Z2962 [0,2,0,0,0,0|1,0,1]=4 419 B9R1.22 CC1=NN(C)C=C1C#N 3836AC [0,2,0,0,0,0|1,0,1]=4 420 B9R1.22 CC1=NN(C)C=C1CN 3406AA [0,2,0,0,0,0|1,0,1]=4 421 B9R1.22 CCN1N=C(C)C=C1C 9243AA [0,2,0,0,0,0|1,0,1]=4 422 B9R1.22 CCN1N=C(C)C=C1N 1314AE [0,2,0,0,0,0|1,0,1]=4 423 B9R1.22 CN1C=C(Br)C(CCl)=N1 X6609 [0,2,0,0,0,0|1,0,1]=4 424 B9R1.22 CN1C=C(Br)C(CO)=N1 Y4687 [0,2,0,0,0,0|1,0,1]=4 425 B9R1.23 CC1=C(C)SC(C=O)=C1 0832AQ [0,2,0,0,0,0|1,0,1]=4 426 B9R1.23 CC1=CC(CCl)=NN1C Z2645 [0,2,0,0,0,0|1,0,1]=4 427 B9R1.35 CC(=O)C1=CC=C(Br)O1 3520AB [0,2,0,0,0,0|2,0,0]=4 428 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [0,2,0,0,0,0|1,0,1]=4 429 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [0,2,0,0,0,0|1,0,1]=4 430 B9R1.35 CC(N)C1=CC=C(Br)S1 3539AD [0,2,0,0,0,0|2,0,0]=4 431 B9R1.35 CC(N)C1=CC=C(Cl)S1 7287AD [0,2,0,0,0,0|2,0,0]=4 432 B9R1.35 CC1=CC=C(C(=O)O)N1 4808AB [0,2,0,0,0,0|0,0,1]=3 433 B9R1.35 CC1=CNC(C(C)C)=N1 1747AJ [0,2,0,0,0,0|1,0,1]=4 434 B9R1.35 CC1=NC(C(C)N)=CS1 0056AE [0,2,0,0,0,0|1,0,1]=4 435 B9R1.35 CC1=NN(C(F)F)C=C1 4388AF [0,2,0,0,0,0|1,0,1]=4 436 B9R1.35 NC(=O)C1=CC=C(Br)N1 9191AA [0,2,0,0,0,0|1,0,1]=4 437 B9R1.132 CC1=NC=C(C=O)N1C Y8403 [0,2,0,0,0,0|1,0,1]=4 438 B9R1.132 CN1C(Br)=CN=C1CO 3457AC [0,2,0,0,0,0|2,0,0]=4 439 B9R1.132 CN1C(CO)=CN=C1N Z5989 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.37 CC1=C(Br)N=C(Br)N1C V8017 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.37 CC1=C(C)C(C)=C(C)C1 5861AB [0,2,0,0,0,0|1,0,0]=3 442 B9R1.37 CC1=C(C)C(C)=C(C)N1 1861AL [0,2,0,0,0,0|0,0,0]=2 443 B9R1.37 CC1=C(C)C(I)=C(C)S1 2438AL [0,2,0,0,0,0|1,0,0]=3 444 B9R1.37 CC1=NC(C)=C(C)N1C 4404AL [0,2,0,0,0,0|1,0,0]=3 445 B7R1.3 O=C1C=CCCN1 9030AB [0,0,1,1,0,0|1,0,1]=4 446 B7R1.18 CC(=O)N1C=CC1 6529AA [0,0,1,1,0,0|2,0,0]=4 447 B5R0.5 C=C(C)C(C)C 5230AL [0,0,1,0,1,0|0,0,2]=4