0 B7R1.2 BrC1=CC=C(Br)O1 Z5509 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.2 BrC1=CC=C(Br)[Se]1 5359AL [0,0,0,0,0,0|2,1,0]=3 2 B7R1.2 BrC1=CNC(Br)=N1 V7098 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.2 BrC1=NC=C(I)S1 X8877 [0,0,0,0,0,0|3,1,0]=4 4 B7R1.2 CC1=CC(N)=CS1 Z4474 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.2 CC1=CC=C(Cl)S1 8881AA [0,0,0,0,0,0|1,1,0]=2 6 B7R1.2 CC1=CC=C(N)S1 5777AB [0,0,0,0,0,0|1,1,0]=2 7 B7R1.2 CC1=CN(C)C=N1 9650AB [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 CC1=CN=C(N)N1 0439AC [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CC1=CN=C(N)N1 3105AA [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=CN=C(N)O1 X6056 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.2 CC1=COC(Br)=N1 X8790 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CC1=COC(C)=N1 5323AL [0,0,0,0,0,0|2,0,0]=2 13 B7R1.2 CC1=CSC(Br)=C1 7530AB [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 CC1=CSC(N)=C1 5740AC [0,0,0,0,0,0|3,0,0]=3 15 B7R1.2 CC1=NC(Br)=CN1 W3545 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 CC1=NC(Br)=NN1 8783AD [0,0,0,0,0,0|4,0,0]=4 17 B7R1.2 CC1=NC(Br)=NO1 2584AD [0,0,0,0,0,0|4,0,0]=4 18 B7R1.2 CC1=NC(Cl)=NN1 4748AD [0,0,0,0,0,0|4,0,0]=4 19 B7R1.2 CC1=NC(N)=CS1 7776AC [0,0,0,0,0,0|3,0,0]=3 20 B7R1.2 CC1=NC=C(N)S1 Z5289 [0,0,0,0,0,0|2,1,0]=3 21 B7R1.2 CC1=NN(C)N=C1 8968AB [0,0,0,0,0,0|3,0,0]=3 22 B7R1.2 CC1=NN=C(C)O1 Z4081 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.2 CC1=NNC(I)=C1 Y2583 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,0,0,0|4,0,0]=4 25 B7R1.2 CC1=NSC(Br)=C1 0520AB [0,0,0,0,0,0|4,0,0]=4 26 B7R1.2 CC1=NSC(I)=C1 6767AD [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CC1=NSC(N)=C1 1797AB [0,0,0,0,0,0|4,0,0]=4 28 B7R1.2 CC1=NSC(N)=N1 3695AA [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 CN1C=NC(Cl)=N1 5746AE [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 CN1C=NC(I)=C1 V8393 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.2 C[C@@H]1COC(=O)O1 P610 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.2 ClC1=CC(Br)=CS1 3619AB [0,0,0,0,0,0|4,0,0]=4 33 B7R1.2 ClC1=NC=C(Br)S1 3170AB [0,0,0,0,0,0|3,1,0]=4 34 B7R1.2 FC1=CSC(Br)=C1 5520AL [0,0,0,0,0,0|4,0,0]=4 35 B7R1.2 IC1=CNC(I)=N1 6473AD [0,0,0,0,0,0|4,0,0]=4 36 B7R1.2 NC1=NC(Br)=CS1 W6557 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.2 O=C1C=CC(O)O1 2926AL [0,0,0,0,0,0|2,0,1]=3 38 B6R1.2 BrC1=CC=NS1 7852AB [1,0,0,0,0,0|2,1,0]=4 39 B6R1.2 BrC1=NSC=C1 Z4879 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,0,0,0|1,0,2]=4 41 B6R1.2 CC1=CNN=N1 W5081 [1,0,0,0,0,0|3,0,0]=4 42 B6R1.2 CC1=CON=C1 9884AB [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 CC1=CSN=N1 Y8051 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 CC1=NC=CO1 1470AB [1,0,0,0,0,0|1,0,0]=2 45 B6R1.2 CC1=NOC=C1 Z4582 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.2 CC1=NON=C1 W4957 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 ClC1=NC=CS1 W5278 [1,0,0,0,0,0|2,1,0]=4 48 B6R1.2 NC1=CN=CN1 0957AP [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 NC1=CN=CN1 5028AA [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 NC1=CNC=N1 B191 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 NC1=NN=CO1 0114AP [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 NN1C=CC=N1 5269AB [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 O=C1C=CCN1 V5771 [1,0,0,0,0,0|2,0,1]=4 54 B6R1.2 O=C1C=CCS1 1311AQ [1,0,0,0,0,0|1,1,1]=4 55 B6R1.2 OC1=NC=CS1 W8616 [1,0,0,0,0,0|2,1,0]=4 56 B8R1.1 BrCC1=CSC(Br)=C1 Z2517 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.1 BrCC1=CSC(Br)=N1 9469AA [0,1,0,0,0,0|3,0,0]=4 58 B8R1.1 C#CC1=CC=C(Br)S1 5481AJ [0,1,0,0,0,0|1,1,1]=4 59 B8R1.1 C#CC1=CC=C(Cl)S1 6808AA [0,1,0,0,0,0|1,1,1]=4 60 B8R1.1 CC1=CC(C#N)=CS1 5746AB [0,1,0,0,0,0|2,0,1]=4 61 B8R1.1 CC1=CC=C(C#N)N1 2253AB [0,1,0,0,0,0|1,0,1]=3 62 B8R1.1 CC1=CC=C(C#N)O1 4023AD [0,1,0,0,0,0|0,0,1]=2 63 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,1,0,0,0,0|0,1,0]=2 64 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,1,0,0,0,0|0,1,0]=2 65 B8R1.1 CC1=CC=C(CN)S1 Z2080 [0,1,0,0,0,0|0,1,0]=2 66 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,1,0,0,0,0|0,1,0]=2 67 B8R1.1 CC1=CN=C(CCl)S1 X4782 [0,1,0,0,0,0|1,1,0]=3 68 B8R1.1 CC1=CN=C(CN)S1 4774AJ [0,1,0,0,0,0|1,1,0]=3 69 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,1,0,0,0,0|2,0,0]=3 70 B8R1.1 CC1=CNC(CN)=N1 8794AH [0,1,0,0,0,0|2,0,0]=3 71 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,1,0,0,0,0|2,0,0]=3 72 B8R1.1 CC1=CSC(C#N)=C1 8938AE [0,1,0,0,0,0|2,0,1]=4 73 B8R1.1 CC1=CSC(C#N)=N1 0220AA [0,1,0,0,0,0|2,0,1]=4 74 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.1 CC1=CSC(NN)=N1 7074AA [0,1,0,0,0,0|3,0,0]=4 76 B8R1.1 CC1=CSC(NN)=N1 8798AH [0,1,0,0,0,0|3,0,0]=4 77 B8R1.1 CC1=NC(CBr)=NO1 4500AF [0,1,0,0,0,0|3,0,0]=4 78 B8R1.1 CC1=NC(CCl)=CS1 Y8976 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.1 CC1=NC(CN)=NN1 3635AD [0,1,0,0,0,0|3,0,0]=4 80 B8R1.1 CC1=NC=C(C=O)O1 4199AC [0,1,0,0,0,0|1,0,1]=3 81 B8R1.1 CC1=NC=C(CN)S1 9600AB [0,1,0,0,0,0|1,1,0]=3 82 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,1,0,0,0,0|1,0,0]=2 83 B8R1.1 CC1=NN=C(CCl)S1 1703AC [0,1,0,0,0,0|2,1,0]=4 84 B8R1.1 CC1=NN=C(CN)O1 6665AE [0,1,0,0,0,0|2,0,0]=3 85 B8R1.1 CC1=NOC(CCl)=C1 5416AB [0,1,0,0,0,0|3,0,0]=4 86 B8R1.1 CC1=NOC(CN)=C1 0875AC [0,1,0,0,0,0|3,0,0]=4 87 B8R1.1 CC1=NOC(CN)=C1 Y7628 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.1 CC1=NOC(CN)=N1 8442AD [0,1,0,0,0,0|3,0,0]=4 89 B8R1.1 CCC1=CC=C(C)O1 8739AA [0,1,0,0,0,0|0,0,0]=1 90 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,1,0,0,0,0|2,1,0]=4 91 B8R1.1 CCC1=CSC(Cl)=N1 V9898 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.1 CCC1=CSC(N)=N1 V5347 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,1,0,0,0,0|2,1,0]=4 94 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,1,0,0,0,0|3,0,0]=4 95 B8R1.1 CCN1C=C[N+](C)=C1 4849AL [0,1,0,0,0,0|3,0,0]=4 96 B8R1.1 CCN1C=C[N+](C)=C1 4850AL [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 CN1C=C(CCl)C=N1 8978AE [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,1,0,0,0,0|2,0,0]=3 99 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,1,0,0,0,0|2,0,0]=3 100 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.1 CN1C=NC(CN)=C1 6782AA [0,1,0,0,0,0|3,0,0]=4 102 B8R1.1 CN1C=NC(CN)=C1 W6486 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.1 CN1C=NC(CO)=C1 6785AC [0,1,0,0,0,0|3,0,0]=4 104 B8R1.1 CNC1=NOC(C)=C1 4341AJ [0,1,0,0,0,0|3,0,0]=4 105 B8R1.1 CSC1=CC(Br)=CS1 Z0932 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,1,0,0,0,0|2,0,0]=3 108 B8R1.1 ClCC1=CC(Br)=CS1 8780AA [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 ClCC1=CSC(Br)=N1 7296AB [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 N#CC1=CC=C(F)S1 3613AB [0,1,0,0,0,0|1,1,1]=4 111 B8R1.1 N#CC1=CC=C(I)S1 6376AD [0,1,0,0,0,0|1,1,1]=4 112 B8R1.1 N#CC1=CC=C(N)S1 7417AB [0,1,0,0,0,0|1,1,1]=4 113 B8R1.1 NC1=NC(CCl)=CS1 1241AC [0,1,0,0,0,0|3,0,0]=4 114 B8R1.1 NCC1=CC=C(Br)S1 9162AB [0,1,0,0,0,0|1,1,0]=3 115 B8R1.1 NCC1=CC=C(Cl)S1 1146AL [0,1,0,0,0,0|1,1,0]=3 116 B8R1.1 NCC1=CC=C(Cl)S1 5432AE [0,1,0,0,0,0|1,1,0]=3 117 B8R1.1 NCC1=NC=C(Br)S1 3893AJ [0,1,0,0,0,0|2,1,0]=4 118 B8R1.1 O=CC1=CC=C(I)S1 7666AB [0,1,0,0,0,0|1,1,1]=4 119 B8R1.1 OCC1=CC(Br)=CO1 8845AB [0,1,0,0,0,0|3,0,0]=4 120 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.1 OCC1=CC=C(F)S1 2754AC [0,1,0,0,0,0|1,1,0]=3 122 B8R1.1 OCC1=CSC(Cl)=C1 1477AC [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 OCC1=NC(Br)=CS1 0499AB [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 OCC1=NC=C(Br)S1 5203AC [0,1,0,0,0,0|2,1,0]=4 125 B8R1.18 CC1=C(Br)N=C(N)S1 3656AA [0,1,0,0,0,0|2,1,0]=4 126 B8R1.18 CC1=C(Br)SC(Br)=N1 Y5554 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.18 CC1=C(C)NC(Cl)=N1 8068AC [0,1,0,0,0,0|3,0,0]=4 128 B8R1.18 CC1=C(C)NC(N)=N1 6648AA [0,1,0,0,0,0|3,0,0]=4 129 B8R1.18 CC1=C(C)OC(S)=N1 V7193 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.18 CC1=C(Cl)SC(Cl)=C1 F300 [0,1,0,0,0,0|2,1,0]=4 131 B8R1.18 CC1=CC(S)=C(C)O1 U424 [0,1,0,0,0,0|0,0,0]=1 132 B8R1.18 CC1=CN(C)C(Br)=N1 Y8377 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.18 CC1=CN(C)N=C1N 9631AH [0,1,0,0,0,0|3,0,0]=4 134 B8R1.18 CC1=NC(C)=C(Br)O1 3116AJ [0,1,0,0,0,0|2,0,0]=3 135 B8R1.18 CC1=NN(C)C(Br)=N1 5749AE [0,1,0,0,0,0|3,0,0]=4 136 B8R1.18 CC1=NN(C)N=C1Br 6070AC [0,1,0,0,0,0|3,0,0]=4 137 B8R1.18 CN1N=C(N)C=C1Br 4711AC [0,1,0,0,0,0|3,0,0]=4 138 B8R1.18 ClC1=C(Cl)SC(Br)=C1 2884AC [0,1,0,0,0,0|2,1,0]=4 139 B8R1.18 O=C1C=C(Br)C(=O)N1 3917AE [0,1,0,0,0,0|3,0,0]=4 140 B8R1.50 CC1=C(N)N(C)C=N1 6311AJ [0,1,0,0,0,0|3,0,0]=4 141 B8R1.50 CC1=C(N)N(C)N=C1 Z2447 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.50 CC1=CC=C(C)N1C 4413AL [0,1,0,0,0,0|1,0,0]=2 143 B8R1.50 CC1=CN=C(Br)N1C V4574 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.50 CC1=CSC(=S)N1O 6061AL [0,1,0,0,0,0|3,0,0]=4 145 B8R1.50 CC1=CSC(C)=C1Br 2426AC [0,1,0,0,0,0|2,0,0]=3 146 B8R1.50 CC1=NN=C(C)N1N 1357AE [0,1,0,0,0,0|3,0,0]=4 147 B8R1.50 CC1=NNC(C)=C1C 5490AE [0,1,0,0,0,0|3,0,0]=4 148 B8R1.50 CC1=NNC(C)=C1Cl 5060AD [0,1,0,0,0,0|3,0,0]=4 149 B8R1.50 CC1=NOC(C)=C1Cl 8232AC [0,1,0,0,0,0|3,0,0]=4 150 B8R1.50 O=C1C=CC(=O)N1O P914 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.1 C=CC(C)CCC 6092AL [0,0,1,0,0,0|1,0,2]=4 152 B6R0.2 CC(=O)SC(C)=O 7216AF [0,0,1,0,0,0|2,1,0]=4 153 B6R0.4 C=C\C=C\C(=O)O Z4964 [0,0,1,0,0,0|1,0,1]=3 154 B6R0.4 CCCC=C(C)C 5704AL [0,0,1,0,0,0|1,0,2]=4 155 B6R0.4 C\C=C\CC(C)C 6798AL [0,0,1,0,0,0|1,0,2]=4 156 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [0,0,0,0,0,1|3,0,0]=4 157 B8R1.3 CC1=CN=C(C)N=C1 1431AB [0,0,0,0,0,1|2,0,0]=3 158 B8R1.3 CC1=CNC(=S)N=C1 Z2992 [0,0,0,0,0,1|3,0,0]=4 159 B8R1.3 CC1=NN=C(C)C=C1 X3917 [0,0,0,0,0,1|1,0,0]=2 160 B8R1.3 NC1=CN=C(N)C=C1 X9372 [0,0,0,0,0,1|3,0,0]=4 161 B8R1.3 NC1=NC=C(O)C=C1 V8126 [0,0,0,0,0,1|3,0,0]=4 162 B8R1.3 NC1=NC=C(O)C=C1 X4178 [0,0,0,0,0,1|3,0,0]=4 163 B8R1.3 NC1=NNC(=O)C=C1 0249AA [0,0,0,0,0,1|3,0,0]=4 164 B8R1.3 SC1=NN=C(Cl)C=C1 2350AE [0,0,0,0,0,1|3,0,0]=4 165 B8R1.3 [O-]C1=CC=C(Cl)C=C1 3305AA [0,0,0,0,0,1|3,0,0]=4 166 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,0,0,0,0,1|3,0,0]=4 167 B8R1.4 CC1=CC(Cl)=NN=C1 W9219 [0,0,0,0,0,1|3,0,0]=4 168 B8R1.4 CC1=CC(I)=NC=C1 1274AB [0,0,0,0,0,1|2,0,0]=3 169 B8R1.4 CC1=CC(N)=CC=C1 5136AF [0,0,0,0,0,1|2,0,0]=3 170 B8R1.4 CC1=CC(N)=NN=C1 7108AA [0,0,0,0,0,1|3,0,0]=4 171 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [0,0,0,0,0,1|2,0,0]=3 172 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [0,0,0,0,0,1|2,0,0]=3 173 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,0,0,0,0,1|3,0,0]=4 174 B8R1.4 ClC1=CC(I)=CN=C1 2091AC [0,0,0,0,0,1|3,0,0]=4 175 B8R1.4 ClC1=CC(I)=NC=C1 1450AB [0,0,0,0,0,1|3,0,0]=4 176 B8R1.4 ClC1=NC(Br)=NC=C1 4405AC [0,0,0,0,0,1|3,0,0]=4 177 B8R1.4 IC1=CN=CC(I)=C1 7672AB [0,0,0,0,0,1|3,0,0]=4 178 B8R1.4 NC1=CC(Br)=CC=C1 J70044 [0,0,0,0,0,1|3,0,0]=4 179 B8R1.4 NC1=CC(Cl)=NC=C1 1677AJ [0,0,0,0,0,1|3,0,0]=4 180 B8R1.4 NC1=CC(F)=CN=C1 Y4462 [0,0,0,0,0,1|3,0,0]=4 181 B8R1.4 NC1=CC(I)=CN=C1 8472AD [0,0,0,0,0,1|3,0,0]=4 182 B8R1.4 NC1=CC=CC(F)=C1 W4217 [0,0,0,0,0,1|3,0,0]=4 183 B8R1.4 NC1=CC=CC(N)=N1 7294AA [0,0,0,0,0,1|3,0,0]=4 184 B8R1.4 NC1=CC=CC(O)=C1 7262AB [0,0,0,0,0,1|3,0,0]=4 185 B8R1.4 NC1=CC=NC(F)=N1 2081AL [0,0,0,0,0,1|3,0,0]=4 186 B8R1.4 NC1=CN=CC(F)=N1 3111AD [0,0,0,0,0,1|3,0,0]=4 187 B8R1.4 NC1=CN=CC(N)=N1 W6186 [0,0,0,0,0,1|3,0,0]=4 188 B8R1.4 NC1=NC=CC(Cl)=C1 5606AH [0,0,0,0,0,1|3,0,0]=4 189 B8R1.4 OC1=CN=CC(I)=C1 7258AD [0,0,0,0,0,1|3,0,0]=4 190 B8R1.4 OC1=NC=CC(S)=N1 Z2909 [0,0,0,0,0,1|3,0,0]=4 191 B8R1.4 SC1=CC=CC(S)=C1 4506AL [0,0,0,0,0,1|3,0,0]=4 192 B5R0.1 C=CCC(=C)C 5694AL [1,0,1,0,0,0|1,0,0]=3 193 B5R0.1 C=COC(C)C 3476AL [1,0,1,0,0,0|0,0,2]=4 194 B5R0.1 CCC=C(C)C 7499AF [1,0,1,0,0,0|1,0,1]=4 195 B5R0.1 CNOC(C)=O 8699AL [1,0,1,0,0,0|2,0,0]=4 196 B5R0.1 C\C=C\C(C)C 7501AF [1,0,1,0,0,0|1,0,1]=4 197 B5R0.1 O=C(O)\C=C/Br V3608 [1,0,1,0,0,0|2,0,0]=4 198 B5R0.1 O=C(O)\C=C/I 9333AB [1,0,1,0,0,0|2,0,0]=4 199 B5R0.1 O=C(O)\C=C\I V7047 [1,0,1,0,0,0|2,0,0]=4 200 B5R0.2 C=CCOCC 5601AE [1,0,1,0,0,0|0,0,2]=4 201 B5R0.3 C=CC(C)ON 4429AJ [1,0,1,0,0,0|1,0,1]=4 202 B5R0.3 C\C(C=O)=C/N 3293AB [1,0,1,0,0,0|2,0,0]=4 203 B5R0.3 C\C=C(/C)CC 0241AQ [1,0,1,0,0,0|0,0,2]=4 204 B5R0.3 C\C=C(/C)CC 9220AL [1,0,1,0,0,0|0,0,2]=4 205 B5R0.3 C\C=C(\C)CC 7440AL [1,0,1,0,0,0|0,0,2]=4 206 B5R1.1 C1=CSN=C1 Z4550 [2,0,0,0,0,0|1,1,0]=4 207 B5R1.1 C1=NN=CO1 2890AB [2,0,0,0,0,0|2,0,0]=4 208 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,1,1,0,0,0|0,0,1]=3 209 B7R0.3 C=CCOC(=O)C=C 7691AF [0,1,1,0,0,0|1,0,1]=4 210 B7R0.5 C=C(Br)C(=O)OCC Y5466 [0,1,1,0,0,0|1,0,1]=4 211 B7R0.7 C=C=CC(=O)OCC 4330AD [0,1,1,0,0,0|1,0,1]=4 212 B7R0.7 C=COC(=O)\C=C\C E081 [0,1,1,0,0,0|1,0,1]=4 213 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [0,1,1,0,0,0|1,0,1]=4 214 B7R0.7 CCOC(=O)\C=C/I 7873AL [0,1,1,0,0,0|1,0,1]=4 215 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [0,1,1,0,0,0|1,0,1]=4 216 B7R0.11 C=C[Si](C)(C)OCC 3277AL [0,1,1,0,0,0|0,1,1]=4 217 B7R0.4 CC\C=C\CC(=O)O 7477AF [0,1,1,0,0,0|1,0,1]=4 218 B7R0.6 CC(=O)\C=C\C(=O)O Y9180 [0,1,1,0,0,0|1,0,0]=3 219 B7R1.1 BrCC1=COC=N1 1429AA [1,1,0,0,0,0|2,0,0]=4 220 B7R1.1 BrCC1=NC=CN1 1423AC [1,1,0,0,0,0|2,0,0]=4 221 B7R1.1 BrCC1=NOC=C1 2020AJ [1,1,0,0,0,0|2,0,0]=4 222 B7R1.1 CCC1=CC=NO1 3273AB [1,1,0,0,0,0|1,0,0]=3 223 B7R1.1 CCC1=CNC=N1 6226AL [1,1,0,0,0,0|2,0,0]=4 224 B7R1.1 CCC1=NNC=C1 6654AA [1,1,0,0,0,0|2,0,0]=4 225 B7R1.1 COC1=CC=CO1 2109AL [1,1,0,0,0,0|0,0,0]=2 226 B7R1.1 CSC1=CNC=N1 X6327 [1,1,0,0,0,0|2,0,0]=4 227 B7R1.1 CSC1=NC=CN1 5294AJ [1,1,0,0,0,0|2,0,0]=4 228 B7R1.1 CSC1=NC=CO1 6777AD [1,1,0,0,0,0|1,0,0]=3 229 B7R1.1 ClCC1=CC=NO1 8534AB [1,1,0,0,0,0|1,0,0]=3 230 B7R1.1 ClCC1=COC=N1 0393AC [1,1,0,0,0,0|2,0,0]=4 231 B7R1.1 ClCC1=NC=CN1 1125AC [1,1,0,0,0,0|2,0,0]=4 232 B7R1.1 ClCC1=NC=CS1 1126AC [1,1,0,0,0,0|1,1,0]=4 233 B7R1.1 ClCC1=NC=CS1 W5535 [1,1,0,0,0,0|1,1,0]=4 234 B7R1.1 N#CC1=CN=CO1 X3473 [1,1,0,0,0,0|1,0,1]=4 235 B7R1.1 NCC1=CC=CN1 W7617 [1,1,0,0,0,0|1,0,0]=3 236 B7R1.1 NCC1=CC=NO1 6076AB [1,1,0,0,0,0|1,0,0]=3 237 B7R1.1 NCC1=CN=CS1 7784AH [1,1,0,0,0,0|1,1,0]=4 238 B7R1.1 NCC1=CNC=C1 4647AC [1,1,0,0,0,0|2,0,0]=4 239 B7R1.1 NCC1=CNC=N1 1263AC [1,1,0,0,0,0|2,0,0]=4 240 B7R1.1 NCC1=CNC=N1 W7724 [1,1,0,0,0,0|2,0,0]=4 241 B7R1.1 NCC1=COC=C1 Y9148 [1,1,0,0,0,0|2,0,0]=4 242 B7R1.1 NCC1=COC=N1 Y1477 [1,1,0,0,0,0|2,0,0]=4 243 B7R1.1 NCC1=CSC=C1 Z3907 [1,1,0,0,0,0|2,0,0]=4 244 B7R1.1 NCC1=CSC=N1 0159AD [1,1,0,0,0,0|2,0,0]=4 245 B7R1.1 NCC1=CSC=N1 8187AA [1,1,0,0,0,0|2,0,0]=4 246 B7R1.1 NCC1=NC=CO1 0960AA [1,1,0,0,0,0|1,0,0]=3 247 B7R1.1 NCC1=NOC=C1 3959AJ [1,1,0,0,0,0|2,0,0]=4 248 B7R1.1 O=CC1=CC=C[Se]1 5634AL [1,1,0,0,0,0|0,1,1]=4 249 B7R1.1 O=CC1=CN=CO1 X9341 [1,1,0,0,0,0|1,0,1]=4 250 B7R1.1 O=CC1=NC=CO1 7478AE [1,1,0,0,0,0|1,0,1]=4 251 B7R1.1 OCC1=CNC=N1 W5446 [1,1,0,0,0,0|2,0,0]=4 252 B7R1.1 OCC1=NNC=C1 X6393 [1,1,0,0,0,0|2,0,0]=4 253 B7R1.4 BrC1=C(I)SC=C1 9000AB [1,1,0,0,0,0|1,1,0]=4 254 B7R1.4 CC1=C(Br)C=CO1 2185AJ [1,1,0,0,0,0|0,0,0]=2 255 B7R1.4 CC1=C(Br)N=CS1 5945AA [1,1,0,0,0,0|1,1,0]=4 256 B7R1.4 CC1=C(C)OC=N1 X5138 [1,1,0,0,0,0|1,0,0]=3 257 B7R1.4 CC1=CCOC1=O 7576AD [1,1,0,0,0,0|1,0,1]=4 258 B7R1.4 CC1=CNC=C1C 2295AL [1,1,0,0,0,0|2,0,0]=4 259 B7R1.4 CC1=CSC=C1N 1699AB [1,1,0,0,0,0|2,0,0]=4 260 B7R1.4 CC1=NOC=C1N 4428AB [1,1,0,0,0,0|2,0,0]=4 261 B7R1.4 CC1=NSC=C1Br 5743AC [1,1,0,0,0,0|2,0,0]=4 262 B7R1.4 CC1=NSC=C1N 7616AB [1,1,0,0,0,0|2,0,0]=4 263 B7R1.4 CN1SC=CC1=O P432 [1,1,0,0,0,0|1,1,0]=4 264 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [0,1,0,0,0,1|2,0,0]=4 265 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [0,1,0,0,0,1|1,0,1]=4 266 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [0,1,0,0,0,1|1,0,0]=3 267 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [0,1,0,0,0,1|2,0,0]=4 268 B9R1.1 CC1=CN=C(CN)C=N1 N635 [0,1,0,0,0,1|2,0,0]=4 269 B9R1.1 CC1=CN=C(CN)N=C1 5734AC [0,1,0,0,0,1|2,0,0]=4 270 B9R1.1 CC1=CN=C(CN)N=C1 8860AH [0,1,0,0,0,1|2,0,0]=4 271 B9R1.1 CC1=CN=C(CO)N=C1 5144AC [0,1,0,0,0,1|2,0,0]=4 272 B9R1.1 CC1=NC=C(CBr)C=N1 2514AC [0,1,0,0,0,1|2,0,0]=4 273 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [0,1,0,0,0,1|1,0,0]=3 274 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [0,1,0,0,0,1|1,0,0]=3 275 B9R1.1 CC1=NC=C(NN)C=C1 0173AB [0,1,0,0,0,1|2,0,0]=4 276 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,1,0,0,0,1|1,0,0]=3 277 B9R1.1 CCC1=CC=C(S)C=C1 S243 [0,1,0,0,0,1|2,0,0]=4 278 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [0,1,0,0,0,1|2,0,0]=4 279 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,1,0,0,0,1|2,0,0]=4 280 B9R1.1 CNC1=CC=C(I)C=C1 W7309 [0,1,0,0,0,1|2,0,0]=4 281 B9R1.1 CNC1=CC=C(N)C=C1 F921 [0,1,0,0,0,1|2,0,0]=4 282 B9R1.1 COC1=CC=C(C)N=C1 8055AB [0,1,0,0,0,1|1,0,0]=3 283 B9R1.1 CSC1=CN=C(Br)C=C1 Z0124 [0,1,0,0,0,1|2,0,0]=4 284 B9R1.1 CSC1=NC=C(C)C=N1 Z2994 [0,1,0,0,0,1|2,0,0]=4 285 B9R1.1 CSC1=NC=C(Cl)C=C1 Z1031 [0,1,0,0,0,1|2,0,0]=4 286 B9R1.1 C[N+]1=CC=C(CO)C=C1 7356AE [0,1,0,0,0,1|2,0,0]=4 287 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [0,1,0,0,0,1|2,0,0]=4 288 B9R1.1 ClCC1=CC=C(I)C=C1 Y6287 [0,1,0,0,0,1|2,0,0]=4 289 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [0,1,0,0,0,1|2,0,0]=4 290 B9R1.1 ClCC1=NN=C(Cl)C=C1 Z2720 [0,1,0,0,0,1|2,0,0]=4 291 B9R1.1 FC1=CN=C(CCl)C=C1 9982AL [0,1,0,0,0,1|2,0,0]=4 292 B9R1.1 NC1=CC=C(CO)C=N1 U962 [0,1,0,0,0,1|2,0,0]=4 293 B9R1.1 NCC1=CC=C(I)C=C1 5275AB [0,1,0,0,0,1|2,0,0]=4 294 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [0,1,0,0,0,1|2,0,0]=4 295 B9R1.1 NCC1=NC=C(F)C=C1 Y9474 [0,1,0,0,0,1|2,0,0]=4 296 B9R1.1 OCC1=CC=C(Cl)N=N1 0342AA [0,1,0,0,0,1|2,0,0]=4 297 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [0,1,0,0,0,1|2,0,0]=4 298 B9R1.69 CC1=C(Br)N=C(Cl)C=C1 3646AC [0,1,0,0,0,1|2,0,0]=4 299 B9R1.69 CC1=C(C)C=C(N)N=C1 8565AB [0,1,0,0,0,1|2,0,0]=4 300 B9R1.69 CC1=C(Cl)C=C(Cl)N=N1 8060AE [0,1,0,0,0,1|2,0,0]=4 301 B9R1.69 CC1=C(Cl)C=C(N)C=N1 4848AC [0,1,0,0,0,1|2,0,0]=4 302 B9R1.69 CC1=C(F)C=C(F)C=C1 X4510 [0,1,0,0,0,1|2,0,0]=4 303 B9R1.69 CC1=CC(Br)=C(C)N=C1 5296AH [0,1,0,0,0,1|1,0,0]=3 304 B9R1.69 CC1=CC(C)=NC=C1Br W5018 [0,1,0,0,0,1|2,0,0]=4 305 B9R1.69 CC1=CC(C)=NC=C1O 8941AD [0,1,0,0,0,1|2,0,0]=4 306 B9R1.69 CC1=CC(I)=C(Br)N=C1 0052AC [0,1,0,0,0,1|2,0,0]=4 307 B9R1.69 CC1=CC(N)=C(N)C=C1 1704AA [0,1,0,0,0,1|2,0,0]=4 308 B9R1.69 CC1=CC(O)=C(N)N=C1 6871AD [0,1,0,0,0,1|2,0,0]=4 309 B9R1.69 CC1=CC=C(Br)N=C1Br 4933AH [0,1,0,0,0,1|2,0,0]=4 310 B9R1.69 CC1=CC=C(C)C(N)=C1 7917AF [0,1,0,0,0,1|1,0,0]=3 311 B9R1.69 CC1=CC=C(Cl)C(I)=C1 Z0413 [0,1,0,0,0,1|2,0,0]=4 312 B9R1.69 CC1=CC=C(Cl)N=C1I 3354AD [0,1,0,0,0,1|2,0,0]=4 313 B9R1.69 CC1=CC=C(I)C(O)=C1 1743AJ [0,1,0,0,0,1|2,0,0]=4 314 B9R1.69 CC1=CC=C(N)C(O)=N1 Z8999 [0,1,0,0,0,1|2,0,0]=4 315 B9R1.69 CC1=CC=C(N)N=C1N 7196AB [0,1,0,0,0,1|2,0,0]=4 316 B9R1.69 CC1=CC=C(O)C(Cl)=N1 V5467 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.69 CC1=CC=C(O)C(F)=N1 N386 [0,1,0,0,0,1|2,0,0]=4 318 B9R1.69 CC1=CC=C(O)C(N)=N1 W4287 [0,1,0,0,0,1|2,0,0]=4 319 B9R1.69 CC1=CC=C(O)C=C1I Z0737 [0,1,0,0,0,1|2,0,0]=4 320 B9R1.69 CC1=CC=C(S)C=C1F 7321AE [0,1,0,0,0,1|2,0,0]=4 321 B9R1.69 CC1=CN=C(Br)C=C1Cl 0797AA [0,1,0,0,0,1|2,0,0]=4 322 B9R1.69 CC1=CN=C(Br)C=C1N 2363AC [0,1,0,0,0,1|2,0,0]=4 323 B9R1.69 CC1=CN=C(C)C(N)=N1 X9791 [0,1,0,0,0,1|2,0,0]=4 324 B9R1.69 CC1=CN=C(C)C=C1Br Z4278 [0,1,0,0,0,1|1,0,0]=3 325 B9R1.69 CC1=CN=C(C)C=C1Cl 1275AB [0,1,0,0,0,1|1,0,0]=3 326 B9R1.69 CC1=CN=C(Cl)C=C1Br W8907 [0,1,0,0,0,1|2,0,0]=4 327 B9R1.69 CC1=CN=C(Cl)C=C1F 4342AA [0,1,0,0,0,1|2,0,0]=4 328 B9R1.69 CC1=CN=C(N)C=C1Cl 0795AA [0,1,0,0,0,1|2,0,0]=4 329 B9R1.69 CC1=C[N+]([O-])=C(Br)C=C1 Z4351 [0,1,0,0,0,1|2,0,0]=4 330 B9R1.69 CC1=NC(Cl)=C(C)C=N1 1761AC [0,1,0,0,0,1|2,0,0]=4 331 B9R1.69 CC1=NC=C(Cl)C=C1Br Y6602 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.69 CC1=NC=C(Cl)C=C1F Z8272 [0,1,0,0,0,1|2,0,0]=4 333 B9R1.69 CC1=NC=C(F)C(Br)=C1 Z3985 [0,1,0,0,0,1|2,0,0]=4 334 B9R1.69 CC1=NC=C(F)C(Cl)=C1 Y7793 [0,1,0,0,0,1|2,0,0]=4 335 B9R1.69 CC1=NC=C(F)C(N)=C1 6084AJ [0,1,0,0,0,1|2,0,0]=4 336 B9R1.2 BrCC1=CC(Br)=NC=C1 6323AA [0,1,0,0,0,1|2,0,0]=4 337 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [0,1,0,0,0,1|1,0,1]=4 338 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [0,1,0,0,0,1|1,0,1]=4 339 B9R1.2 CC1=CC(C#N)=CN=C1 5922AB [0,1,0,0,0,1|1,0,1]=4 340 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [0,1,0,0,0,1|1,0,0]=3 341 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [0,1,0,0,0,1|1,0,0]=3 342 B9R1.2 CC1=CC(CN)=CC=N1 6141AC [0,1,0,0,0,1|1,0,0]=3 343 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [0,1,0,0,0,1|1,0,0]=3 344 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [0,1,0,0,0,1|1,0,0]=3 345 B9R1.2 CC1=CC=NC(CN)=N1 8797AH [0,1,0,0,0,1|1,0,0]=3 346 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [0,1,0,0,0,1|1,0,1]=4 347 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [0,1,0,0,0,1|1,0,0]=3 348 B9R1.2 CC1=NC(C#N)=NC=C1 2189AC [0,1,0,0,0,1|1,0,1]=4 349 B9R1.2 CC1=NC(CCl)=NC=C1 Y3172 [0,1,0,0,0,1|1,0,0]=3 350 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,1,0,0,0,1|1,0,0]=3 351 B9R1.2 CC1=NC(CO)=NC=C1 Y3221 [0,1,0,0,0,1|1,0,0]=3 352 B9R1.2 CC1=NC=CC(C#N)=N1 9887AB [0,1,0,0,0,1|1,0,1]=4 353 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [0,1,0,0,0,1|1,0,1]=4 354 B9R1.2 CC1=NC=CC(C=O)=N1 X8509 [0,1,0,0,0,1|1,0,1]=4 355 B9R1.2 CCC1=CC(Br)=NC=C1 Y5042 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [0,1,0,0,0,1|2,0,0]=4 357 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [0,1,0,0,0,1|2,0,0]=4 358 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,1,0,0,0,1|1,0,0]=3 359 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [0,1,0,0,0,1|2,0,0]=4 360 B9R1.2 CNC1=CC(N)=CC=C1 6981AB [0,1,0,0,0,1|2,0,0]=4 361 B9R1.2 CNC1=NC(N)=NC=C1 0200AA [0,1,0,0,0,1|2,0,0]=4 362 B9R1.2 CNC1=NC=CC(C)=N1 Z2893 [0,1,0,0,0,1|1,0,0]=3 363 B9R1.2 CNC1=NC=CC(N)=N1 Z3321 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.2 COC1=CC(=O)NC=C1 W6732 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.2 COC1=CC(C)=CN=C1 2251AC [0,1,0,0,0,1|1,0,0]=3 366 B9R1.2 COC1=CN=CC(I)=C1 1202AF [0,1,0,0,0,1|2,0,0]=4 367 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [0,1,0,0,0,1|2,0,0]=4 368 B9R1.2 COC1=NC(C)=CN=C1 2865AB [0,1,0,0,0,1|1,0,0]=3 369 B9R1.2 CSC1=NC(C)=CN=C1 2879AB [0,1,0,0,0,1|1,0,0]=3 370 B9R1.2 CSC1=NC=CC(Br)=N1 W9785 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.2 CSC1=NC=CC(Cl)=C1 W5514 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.2 CSC1=NC=CC(N)=C1 6074AJ [0,1,0,0,0,1|2,0,0]=4 373 B9R1.2 ClC1=CC(CBr)=CC=N1 Y1576 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.2 ClCC1=CC(I)=CN=C1 1482AF [0,1,0,0,0,1|2,0,0]=4 375 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [0,1,0,0,0,1|2,0,0]=4 378 B9R1.2 ClCC1=NC(Cl)=NC=C1 6190AC [0,1,0,0,0,1|2,0,0]=4 379 B9R1.2 ClCC1=NC=CC(Cl)=N1 Y3254 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.2 NC1=CC(CO)=NC=C1 4757AJ [0,1,0,0,0,1|2,0,0]=4 382 B9R1.2 NC1=CC=CC(CF)=C1 5712AJ [0,1,0,0,0,1|2,0,0]=4 383 B9R1.2 NC1=NC(CO)=CC=N1 1009AB [0,1,0,0,0,1|2,0,0]=4 384 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [0,1,0,0,0,1|2,0,0]=4 385 B9R1.2 NCC1=CC(Cl)=NC=C1 7154AA [0,1,0,0,0,1|2,0,0]=4 386 B9R1.2 NCC1=CC(F)=NC=C1 Y4072 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.2 NCC1=CC(I)=CC=C1 5352AH [0,1,0,0,0,1|2,0,0]=4 388 B9R1.2 NCC1=CC(N)=NC=C1 5441AJ [0,1,0,0,0,1|2,0,0]=4 389 B9R1.2 NCC1=CC=CC(=O)N1 Y7390 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [0,1,0,0,0,1|2,0,0]=4 392 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.2 NCC1=NC(N)=CC=C1 6407AJ [0,1,0,0,0,1|2,0,0]=4 394 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.2 O=C1C=C(CO)C=CN1 5374AA [0,1,0,0,0,1|2,0,0]=4 396 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [0,1,0,0,0,1|2,0,0]=4 399 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [0,1,0,0,0,1|2,0,0]=4 400 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [0,1,0,0,0,1|2,0,0]=4 401 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [0,1,0,0,0,1|2,0,0]=4 402 B9R1.3 CC1=C(I)C(N)=NC=C1 4335AA [0,1,0,0,0,1|2,0,0]=4 403 B9R1.3 CC1=C(N)C(I)=CC=C1 2097AL [0,1,0,0,0,1|2,0,0]=4 404 B9R1.3 CC1=CC=CC(Cl)=C1C 9095AB [0,1,0,0,0,1|2,0,0]=4 405 B9R1.3 CC1=CC=NC(Br)=C1I 4122AC [0,1,0,0,0,1|2,0,0]=4 406 B9R1.3 CC1=CN=CC(N)=C1N Y7493 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.3 CC1=NC=CC(Br)=C1N N209 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.3 CC1=NC=CC(C)=C1O 2563AB [0,1,0,0,0,1|1,0,0]=3 409 B9R1.3 CC1=NC=CC(O)=C1O 2121AL [0,1,0,0,0,1|2,0,0]=4 410 B9R1.3 CC1=NC=NC(C)=C1N W9342 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.34 CC1=CC(=O)C=C(O)O1 0884AC [0,1,0,0,0,1|1,0,0]=3 412 B9R1.34 CC1=CC(Br)=CC(Br)=N1 2361AC [0,1,0,0,0,1|2,0,0]=4 413 B9R1.34 CC1=CC(Br)=CC(F)=N1 Z1863 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.34 CC1=CC(Br)=NC(N)=N1 W7075 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.34 CC1=CC(C)=NC(I)=N1 5427AD [0,1,0,0,0,1|2,0,0]=4 416 B9R1.34 CC1=CC(F)=CC(F)=N1 2846AC [0,1,0,0,0,1|2,0,0]=4 417 B9R1.34 CC1=CC(I)=CC(F)=N1 X7997 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.34 CC1=CC(N)=CC(Cl)=N1 Y4099 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.34 CC1=CC(N)=NC(S)=N1 Z2808 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.34 CC1=NC(Cl)=CC(Br)=C1 Z8243 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.34 CC1=NC(I)=CC(I)=N1 W7728 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.34 CC1=NC(I)=CC(N)=N1 W9672 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.34 CC1=NC(N)=NC(S)=C1 Z2491 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.7 C=CCC1=CC=C(Br)S1 5032AD [0,2,0,0,0,0|1,1,0]=4 425 B9R1.7 CC1=CC=C(CCN)S1 5238AJ [0,2,0,0,0,0|0,1,0]=3 426 B9R1.7 CC1=CC=C(CCN)S1 9610AD [0,2,0,0,0,0|0,1,0]=3 427 B9R1.7 CC1=CN=C(CCN)N1 2107AF [0,2,0,0,0,0|2,0,0]=4 428 B9R1.7 CC1=CNC(CCN)=N1 4655AC [0,2,0,0,0,0|2,0,0]=4 429 B9R1.7 CC1=CSC(CC#N)=N1 Y8135 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.7 CC1=NC(CCN)=CS1 5300AD [0,2,0,0,0,0|2,0,0]=4 431 B9R1.7 CC1=NN=C(CC#N)O1 3607AD [0,2,0,0,0,0|2,0,0]=4 432 B9R1.7 CCCC1=NC(C)=CN1 4781AB [0,2,0,0,0,0|2,0,0]=4 433 B9R1.7 CNCC1=CC=C(Br)O1 2148AF [0,2,0,0,0,0|1,0,0]=3 434 B9R1.7 CNCC1=CC=C(C)S1 5250AC [0,2,0,0,0,0|0,1,0]=3 435 B9R1.7 CNCC1=CC=C(Cl)S1 V7410 [0,2,0,0,0,0|1,1,0]=4 436 B9R1.7 CNCC1=CSC(C)=N1 Y7538 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.7 CNCC1=NN(C)C=C1 3781AC [0,2,0,0,0,0|2,0,0]=4 438 B9R1.7 CNCC1=NN=C(C)O1 2037AF [0,2,0,0,0,0|2,0,0]=4 439 B9R1.7 N#CCC1=CC=C(Br)S1 1121AC [0,2,0,0,0,0|1,1,0]=4 440 B9R1.7 NCCC1=CC=C(Br)S1 1209AJ [0,2,0,0,0,0|1,1,0]=4 441 B9R1.7 NCCC1=CC=C(Cl)S1 1213AJ [0,2,0,0,0,0|1,1,0]=4 442 B9R1.21 CCC1=CC=C(CC)O1 Z5436 [0,2,0,0,0,0|0,0,0]=2 443 B9R1.21 CCC1=NN=C(CCl)O1 2346AE [0,2,0,0,0,0|2,0,0]=4 444 B9R1.21 CCN1C=CC(CN)=N1 4395AF [0,2,0,0,0,0|2,0,0]=4 445 B9R1.21 CNC1=NC(CCl)=CS1 1810AE [0,2,0,0,0,0|2,0,0]=4 446 B9R1.21 COC1=CC=C(C=O)S1 4303AB [0,2,0,0,0,0|0,1,1]=4 447 B9R1.21 CSC1=CC=C(C#N)S1 5789AD [0,2,0,0,0,0|0,1,1]=4 448 B9R1.21 CSC1=CC=C(C=O)S1 Z2926 [0,2,0,0,0,0|0,1,1]=4 449 B9R1.21 N#CC1=CC=C(C#N)O1 5364AL [0,2,0,0,0,0|0,0,2]=4 450 B9R1.21 N#CC1=CC=C(C=O)O1 5795AB [0,2,0,0,0,0|0,0,2]=4 451 B9R1.21 N#CC1=CC=C(CN)O1 2978AJ [0,2,0,0,0,0|0,0,1]=3 452 B9R1.21 N#CC1=CC=C(CN)S1 1403AB [0,2,0,0,0,0|0,1,1]=4 453 B9R1.21 N#CC1=CC=C(CN)S1 8872AA [0,2,0,0,0,0|0,1,1]=4 454 B9R1.21 N#CC1=CC=C(CO)S1 8871AA [0,2,0,0,0,0|0,1,1]=4 455 B9R1.21 O=CC1=CC=C(CCl)O1 Y6574 [0,2,0,0,0,0|0,0,1]=3 456 B9R1.21 O=CC1=CC=C(CO)N1 0366AC [0,2,0,0,0,0|1,0,1]=4 457 B9R1.22 CC1=C(C=O)N=C(Br)O1 1615AJ [0,2,0,0,0,0|2,0,0]=4 458 B9R1.22 CC1=C(CO)OC(=O)O1 X6733 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.22 CC1=CC(CN)=C(C)O1 Y8624 [0,2,0,0,0,0|0,0,0]=2 460 B9R1.22 CC1=NC(C#N)=C(N)O1 7057AB [0,2,0,0,0,0|2,0,0]=4 461 B9R1.22 CC1=NC(C)=C(C=O)O1 0653AC [0,2,0,0,0,0|1,0,1]=4 462 B9R1.22 CC1=NC(C)=C(CO)O1 7282AD [0,2,0,0,0,0|1,0,0]=3 463 B9R1.22 CC1=NC(C=O)=C(C)N1 0528AC [0,2,0,0,0,0|2,0,0]=4 464 B9R1.22 CC1=NC(CCl)=C(C)O1 Y4075 [0,2,0,0,0,0|1,0,0]=3 465 B9R1.22 CC1=NN(C)C(C=O)=C1 W4824 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.22 CC1=NN(C)C(CBr)=C1 Z2962 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.22 CC1=NN(C)C(CN)=C1 Y5453 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.22 CC1=NN(C)C=C1CN 3406AA [0,2,0,0,0,0|2,0,0]=4 469 B9R1.22 CC1C=C(CN)N(C)O1 Y4551 [0,2,0,0,0,0|1,0,1]=4 470 B9R1.22 CN1C=C(Br)C(CCl)=N1 X6609 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.22 CN1C=C(Br)C(CN)=N1 8747AH [0,2,0,0,0,0|2,0,0]=4 472 B9R1.23 CC1=C(C)OC(C=O)=C1 Y9335 [0,2,0,0,0,0|0,0,1]=3 473 B9R1.23 CC1=C(C)SC(C=O)=C1 0832AQ [0,2,0,0,0,0|0,1,1]=4 474 B9R1.23 CC1=CC(CN)=NN1C Y9079 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.23 CCC1=NC(C)=C(Br)S1 V8182 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.23 CNC1=NN(C)C(C)=C1 Z3296 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.23 O=CC1=CC(Br)=C(Br)O1 D393 [0,2,0,0,0,0|1,0,1]=4 478 B9R1.35 CC(=O)C1=CC=C(Br)O1 3520AB [0,2,0,0,0,0|1,0,0]=3 479 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [0,2,0,0,0,0|2,0,0]=4 480 B9R1.35 CC(=O)C1=NC=C(C)S1 Y9563 [0,2,0,0,0,0|1,1,0]=4 481 B9R1.35 CC(=O)C1=NN(C)C=C1 2329AL [0,2,0,0,0,0|2,0,0]=4 482 B9R1.35 CC(N)C1=CC=C(Cl)S1 7287AD [0,2,0,0,0,0|1,1,0]=4 483 B9R1.35 CC1=CC=C(C(C)N)O1 7302AE [0,2,0,0,0,0|0,0,0]=2 484 B9R1.35 CC1=CN=C(C(=O)O)O1 X6429 [0,2,0,0,0,0|1,0,1]=4 485 B9R1.35 CC1=CNC(C(C)C)=N1 1747AJ [0,2,0,0,0,0|2,0,0]=4 486 B9R1.35 CC1=NC(C(C)N)=CS1 0056AE [0,2,0,0,0,0|2,0,0]=4 487 B9R1.35 CC1=NN(C(F)F)C=C1 4388AF [0,2,0,0,0,0|2,0,0]=4 488 B9R1.35 NC(=O)C1=CC=C(Br)O1 6684AE [0,2,0,0,0,0|1,0,1]=4 489 B9R1.35 O=C(O)C1=CC=C(I)O1 6244AD [0,2,0,0,0,0|1,0,1]=4 490 B9R1.132 CC1=CC=C(CN)N1C 0667AD [0,2,0,0,0,0|1,0,0]=3 491 B9R1.37 CC1=C(C)C(C)=C(C)C1 5861AB [0,2,0,0,0,0|1,0,0]=3 492 B9R1.37 CC1=C(C)C(C)=C(C)N1 1861AL [0,2,0,0,0,0|1,0,0]=3 493 B9R1.37 CC1=C(C)C(I)=C(C)S1 2438AL [0,2,0,0,0,0|0,1,0]=3 494 B9R1.37 CC1=NC(C)=C(C)N1C 4404AL [0,2,0,0,0,0|2,0,0]=4 495 B7R1.3 O=C1C=CCCO1 X2978 [0,0,1,1,0,0|1,0,1]=4 496 B7R1.18 CC(=O)N1C=CC1 6529AA [0,0,1,1,0,0|1,0,1]=4 497 B5R0.5 C=C(C)C(C)C 5230AL [0,0,1,0,1,0|0,0,2]=4