0 B8R1.1 C#CC1=CC=C(Br)S1 5481AJ [0,0,0,0,0,0|2,0,1]=3 1 B8R1.1 C#CC1=CC=C(Cl)S1 6808AA [0,0,0,0,0,0|2,0,1]=3 2 B8R1.1 CC1=CC(C#N)=CS1 5746AB [0,0,0,0,0,0|3,0,1]=4 3 B8R1.1 CC1=CC=C(C#N)N1 2253AB [0,0,0,0,0,0|2,0,1]=3 4 B8R1.1 CC1=CC=C(C#N)O1 4023AD [0,0,0,0,0,0|1,1,1]=3 5 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,0,0,0,0,0|1,0,1]=2 6 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.1 CC1=CC=C(CN)S1 Z2080 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,0,0,0,0,0|0,0,2]=2 9 B8R1.1 CC1=CN=C(CCl)S1 X4782 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.1 CC1=CN=C(CN)S1 4774AJ [0,0,0,0,0,0|2,0,1]=3 11 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CC1=CNC(CN)=N1 8794AH [0,0,0,0,0,0|3,0,1]=4 13 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,0,0,0,0,0|2,0,2]=4 14 B8R1.1 CC1=CSC(C#N)=C1 8938AE [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 CC1=CSC(C#N)=N1 0220AA [0,0,0,0,0,0|3,0,1]=4 16 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.1 CC1=CSC(NN)=N1 7074AA [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 CC1=CSC(NN)=N1 8798AH [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CC1=NC(CCl)=CS1 Y8976 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.1 CC1=NC=C(C=O)O1 4199AC [0,0,0,0,0,0|1,1,0]=2 21 B8R1.1 CC1=NC=C(CN)S1 9600AB [0,0,0,0,0,0|2,0,1]=3 22 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,0,0,0,0,0|1,1,2]=4 23 B8R1.1 CC1=NN=C(CCl)S1 1703AC [0,0,0,0,0,0|3,0,1]=4 24 B8R1.1 CC1=NN=C(NN)S1 6853AC [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.1 CCC1=CC=C(C)O1 8739AA [0,0,0,0,0,0|1,1,1]=3 27 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,0,0,0,0,0|3,0,1]=4 28 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,0,0,0,0,0|3,0,1]=4 29 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,0,0,0,0,0|3,0,1]=4 30 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,0,0,0,0,0|3,0,1]=4 31 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 N#CC1=CC=C(F)S1 3613AB [0,0,0,0,0,0|2,0,1]=3 35 B8R1.1 N#CC1=CC=C(I)S1 6376AD [0,0,0,0,0,0|2,0,1]=3 36 B8R1.1 N#CC1=CC=C(N)S1 7417AB [0,0,0,0,0,0|2,0,1]=3 37 B8R1.1 N#CC1=NC=C(Br)S1 3419AA [0,0,0,0,0,0|3,0,1]=4 38 B8R1.1 NCC1=CC=C(Br)S1 9162AB [0,0,0,0,0,0|2,0,1]=3 39 B8R1.1 NCC1=CC=C(Cl)S1 1146AL [0,0,0,0,0,0|2,0,1]=3 40 B8R1.1 NCC1=CC=C(Cl)S1 5432AE [0,0,0,0,0,0|2,0,1]=3 41 B8R1.1 NCC1=NC=C(Br)S1 3893AJ [0,0,0,0,0,0|3,0,1]=4 42 B8R1.1 O=CC1=CC(Br)=NO1 W4557 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 O=CC1=CC(Cl)=CS1 8472AB [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 O=CC1=CC=C(I)S1 7666AB [0,0,0,0,0,0|1,0,0]=1 45 B8R1.1 O=CC1=CNC(=O)N1 1313AC [0,0,0,0,0,0|3,0,0]=3 46 B8R1.1 O=CC1=CSC(Br)=C1 9797AA [0,0,0,0,0,0|3,0,0]=3 47 B8R1.1 O=CC1=CSC(Cl)=C1 4568AB [0,0,0,0,0,0|3,0,0]=3 48 B8R1.1 O=CC1=NC=C(Br)S1 Y5660 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.1 O=CC1=NC=C(Cl)S1 Y5482 [0,0,0,0,0,0|2,0,0]=2 50 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [0,0,0,0,0,0|1,1,2]=4 51 B8R1.1 OCC1=CC=C(F)S1 2754AC [0,0,0,0,0,0|1,0,2]=3 52 B8R1.1 OCC1=NC=C(Br)S1 5203AC [0,0,0,0,0,0|2,0,2]=4 53 B7R1.1 COC1=CC=CO1 2109AL [1,0,0,0,0,0|2,1,0]=4 54 B7R1.1 ClCC1=NC=CS1 1126AC [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 ClCC1=NC=CS1 W5535 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 NCC1=CC=CN1 W7617 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 NCC1=CN=CS1 7784AH [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 NNC1=NC=CS1 3138AB [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 O=CC1=CC=C[Se]1 5634AL [1,0,0,0,0,0|0,1,0]=2 60 B7R1.1 O=CC1=CC=NS1 7399AB [1,0,0,0,0,0|1,0,0]=2 61 B7R1.1 O=CC1=CCSC1 2331AA [1,0,0,0,0,0|2,0,1]=4 62 B7R1.1 O=CC1=CN=CO1 X9341 [1,0,0,0,0,0|1,1,0]=3 63 B7R1.1 O=CC1=CON=C1 0015AC [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 O=CC1=CSN=C1 4169AJ [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 O=CC1=NC=CO1 7478AE [1,0,0,0,0,0|1,1,0]=3 66 B7R1.1 O=CC1=NNC=N1 9849AH [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 O=CC1=NOC=C1 4723AC [1,0,0,0,0,0|2,0,0]=3 68 B7R1.2 BrC1=CC=C(Br)O1 Z5509 [1,0,0,0,0,0|2,1,0]=4 69 B7R1.2 BrC1=CC=C(Br)[Se]1 5359AL [1,0,0,0,0,0|2,1,0]=4 70 B7R1.2 BrC1=NC=C(I)S1 X8877 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.2 CC1=CC(N)=CS1 Z4474 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.2 CC1=CC=C(Cl)S1 8881AA [1,0,0,0,0,0|1,0,0]=2 73 B7R1.2 CC1=CC=C(N)S1 5777AB [1,0,0,0,0,0|1,0,0]=2 74 B7R1.2 CC1=CN=C(N)N1 0439AC [1,0,0,0,0,0|3,0,0]=4 75 B7R1.2 CC1=CN=C(N)N1 3105AA [1,0,0,0,0,0|3,0,0]=4 76 B7R1.2 CC1=CN=C(N)O1 X6056 [1,0,0,0,0,0|2,1,0]=4 77 B7R1.2 CC1=COC(Br)=N1 X8790 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.2 CC1=COC(C)=N1 5323AL [1,0,0,0,0,0|2,0,1]=4 79 B7R1.2 CC1=CSC(Br)=C1 7530AB [1,0,0,0,0,0|3,0,0]=4 80 B7R1.2 CC1=CSC(N)=C1 5740AC [1,0,0,0,0,0|3,0,0]=4 81 B7R1.2 CC1=NC(Br)=CN1 W3545 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.2 CC1=NC(N)=CS1 7776AC [1,0,0,0,0,0|3,0,0]=4 83 B7R1.2 CC1=NC=C(N)S1 Z5289 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.2 CC1=NOC(=O)C1 0252AQ [1,0,0,0,0,0|3,0,0]=4 85 B7R1.2 ClC1=NC=C(Br)S1 3170AB [1,0,0,0,0,0|3,0,0]=4 86 B7R1.2 O=C1C=CC(O)O1 2926AL [1,0,0,0,0,0|1,1,1]=4 87 B9R1.7 C=CCC1=CC=C(Br)S1 5032AD [0,1,0,0,0,0|2,0,0]=3 88 B9R1.7 CC1=CC=C(CCN)S1 5238AJ [0,1,0,0,0,0|1,0,1]=3 89 B9R1.7 CC1=CC=C(CCN)S1 9610AD [0,1,0,0,0,0|1,0,1]=3 90 B9R1.7 CC1=CSC(N=C=O)=C1 W8779 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.7 CNCC1=CC=C(C)S1 5250AC [0,1,0,0,0,0|1,0,1]=3 92 B9R1.7 CNCC1=CC=C(Cl)S1 V7410 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.7 N#CCC1=CC=C(Br)S1 1121AC [0,1,0,0,0,0|2,0,1]=4 94 B9R1.7 NCCC1=CC=C(Br)S1 1209AJ [0,1,0,0,0,0|2,0,1]=4 95 B9R1.7 NCCC1=CC=C(Cl)S1 1213AJ [0,1,0,0,0,0|2,0,1]=4 96 B9R1.21 C#CC1=CC=C(C=O)S1 0597AB [0,1,0,0,0,0|0,0,1]=2 97 B9R1.21 CCC1=CC=C(CC)O1 Z5436 [0,1,0,0,0,0|1,1,1]=4 98 B9R1.21 CCC1=CSC(C=O)=N1 0809AB [0,1,0,0,0,0|2,0,0]=3 99 B9R1.21 CCC1=NC=C(C=O)S1 5803AC [0,1,0,0,0,0|1,0,0]=2 100 B9R1.21 CCC1=NNC(C=O)=C1 5334AH [0,1,0,0,0,0|3,0,0]=4 101 B9R1.21 COC1=CC=C(C=O)S1 4303AB [0,1,0,0,0,0|0,0,0]=1 102 B9R1.21 COC1=NC=C(C=O)S1 W9748 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.21 CSC1=CC=C(C#N)S1 5789AD [0,1,0,0,0,0|1,0,1]=3 104 B9R1.21 CSC1=CC=C(C=O)S1 Z2926 [0,1,0,0,0,0|0,0,0]=1 105 B9R1.21 N#CC1=CC=C(C=O)O1 5795AB [0,1,0,0,0,0|0,1,1]=3 106 B9R1.21 N#CC1=CC=C(CN)O1 2978AJ [0,1,0,0,0,0|1,1,1]=4 107 B9R1.21 N#CC1=CC=C(CN)S1 1403AB [0,1,0,0,0,0|1,0,1]=3 108 B9R1.21 N#CC1=CC=C(CN)S1 8872AA [0,1,0,0,0,0|1,0,1]=3 109 B9R1.21 N#CC1=CC=C(CO)S1 8871AA [0,1,0,0,0,0|1,0,1]=3 110 B9R1.21 O=CC1=CC=C(CCl)O1 Y6574 [0,1,0,0,0,0|0,1,0]=2 111 B9R1.21 O=CC1=CC=C(CO)N1 0366AC [0,1,0,0,0,0|1,0,0]=2 112 B9R1.22 CC1=C(C=O)N=C(Br)O1 1615AJ [0,1,0,0,0,0|3,0,0]=4 113 B9R1.22 CC1=NC(C)=C(C=O)O1 0653AC [0,1,0,0,0,0|1,1,0]=3 114 B9R1.22 CC1=NC(C=O)=C(C)N1 0528AC [0,1,0,0,0,0|2,0,0]=3 115 B9R1.22 CC1=NN(C)C(C=O)=C1 W4824 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.22 O=CC1=C(Cl)SC(Cl)=C1 W7347 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.23 CC1=C(Br)SC(C=O)=N1 4318AF [0,1,0,0,0,0|2,0,0]=3 118 B9R1.23 CC1=C(C)NC(C=O)=N1 Y3244 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.23 CC1=C(C)OC(C=O)=C1 Y9335 [0,1,0,0,0,0|0,1,0]=2 120 B9R1.23 CC1=C(C)SC(C=O)=C1 0832AQ [0,1,0,0,0,0|0,0,0]=1 121 B9R1.23 CC1=C(C)SC(NN)=N1 2997AD [0,1,0,0,0,0|3,0,0]=4 122 B9R1.23 CC1=CC(C=O)=NN1C Y8435 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.23 O=CC1=CC(Br)=C(Br)O1 D393 [0,1,0,0,0,0|1,1,0]=3 124 B9R1.35 CC(=O)C1=CC(Cl)=CS1 W5634 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.35 CC(=O)C1=CC=C(Br)O1 3520AB [0,1,0,0,0,0|1,1,0]=3 126 B9R1.35 CC(=O)C1=CSC(Cl)=C1 Z0709 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [0,1,0,0,0,0|2,0,0]=3 128 B9R1.35 CC(=O)C1=NC=C(Br)S1 2132AC [0,1,0,0,0,0|2,0,0]=3 129 B9R1.35 CC(=O)C1=NC=C(C)S1 Y9563 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.35 CC(=O)C1=NN(C)C=C1 2329AL [0,1,0,0,0,0|2,0,0]=3 131 B9R1.35 CC(N)C1=CC=C(Cl)S1 7287AD [0,1,0,0,0,0|2,0,1]=4 132 B9R1.35 CC1=CC=C(C(C)N)O1 7302AE [0,1,0,0,0,0|1,1,1]=4 133 B9R1.35 CC1=CN=C(C(=O)O)O1 X6429 [0,1,0,0,0,0|1,1,0]=3 134 B9R1.35 CC1=CNC(C(=O)O)=C1 V0508 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.35 CC1=CNC(C(=O)O)=N1 Y9876 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.35 CC1=NC(C(=O)O)=CO1 V4541 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.35 CC1=NC(C(=O)O)=NO1 6632AD [0,1,0,0,0,0|3,0,0]=4 138 B9R1.35 CC1=NC(C(=O)[O-])=NO1 0567AB [0,1,0,0,0,0|3,0,0]=4 139 B9R1.35 CC1=NC(C(N)=O)=CS1 Y5140 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.35 CC1=NC(C(N)=S)=CS1 W3802 [0,1,0,0,0,0|2,1,0]=4 141 B9R1.35 CC1=NN=C(C(=O)O)O1 7252AB [0,1,0,0,0,0|2,1,0]=4 142 B9R1.35 CC1=NN=C(C(=O)O)S1 6856AB [0,1,0,0,0,0|2,0,0]=3 143 B9R1.35 CC1=NNC(C(=O)O)=N1 1135AC [0,1,0,0,0,0|3,0,0]=4 144 B9R1.35 CC1=NOC(C(=O)[O-])=N1 4553AA [0,1,0,0,0,0|3,0,0]=4 145 B9R1.35 CC1=NSC(C(=O)O)=C1 7851AE [0,1,0,0,0,0|3,0,0]=4 146 B9R1.35 N=C(N)C1=CC=C(Cl)S1 6827AD [0,1,0,0,0,0|2,0,0]=3 147 B9R1.35 NC(=O)C1=CC=C(Br)O1 6684AE [0,1,0,0,0,0|1,1,0]=3 148 B9R1.35 NC(=O)C1=CN=C(N)S1 V6386 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.35 NC(=O)C1=CSC(N)=N1 Z3939 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.35 NC1=CSC(C(=O)O)=C1 6089AJ [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 NC1=NN=C(C(=O)O)S1 9637AB [0,1,0,0,0,0|3,0,0]=4 152 B9R1.35 O=C(O)C1=CC(F)=CS1 3617AB [0,1,0,0,0,0|3,0,0]=4 153 B9R1.35 O=C(O)C1=CC(I)=CN1 2020AB [0,1,0,0,0,0|3,0,0]=4 154 B9R1.35 O=C(O)C1=CC=C(Br)N1 2776AB [0,1,0,0,0,0|2,0,0]=3 155 B9R1.35 O=C(O)C1=CC=C(F)S1 W6292 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.35 O=C(O)C1=CC=C(I)O1 6244AD [0,1,0,0,0,0|1,1,0]=3 157 B9R1.35 O=C(O)C1=COC(I)=N1 4876AA [0,1,0,0,0,0|3,0,0]=4 158 B9R1.35 O=C(O)C1=NC(Br)=CO1 X6341 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.35 O=C(O)C1=NC=C(Br)S1 Y4853 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.35 O=C(O)C1=NC=C(Cl)S1 Y6782 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.35 O=[N+]([O-])C1=CC=C(O)S1 8009AB [0,1,0,0,0,0|2,0,0]=3 162 B9R1.132 CC1=C(C=O)N=CN1C 4635AH [0,1,0,0,0,0|3,0,0]=4 163 B9R1.132 CC1=C(C=O)SC=C1Br V5015 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.132 CC1=CC=C(CN)N1C 0667AD [0,1,0,0,0,0|2,0,1]=4 165 B9R1.132 CC1=CNC(C=O)=C1C 6636AD [0,1,0,0,0,0|2,0,0]=3 166 B9R1.132 CC1=NC=C(C=O)N1C Y8403 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.132 CC1=NNC(C=O)=C1Cl 5598AH [0,1,0,0,0,0|3,0,0]=4 168 B9R1.132 CN1C(Br)=CN=C1C=O V7788 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.132 CN1C(C=O)=CN=C1Br V7789 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [0,0,0,0,0,1|2,0,0]=3 171 B9R1.1 C=CC1=NC=C(Br)C=C1 1393AB [0,0,0,0,0,1|3,0,0]=4 172 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [0,0,0,0,0,1|1,1,1]=4 173 B9R1.1 CC1=CN=C(C=O)N=C1 5145AC [0,0,0,0,0,1|2,0,0]=3 174 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [0,0,0,0,0,1|2,0,1]=4 175 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [0,0,0,0,0,1|2,0,1]=4 176 B9R1.1 CC1=NC=C(NN)C=C1 0173AB [0,0,0,0,0,1|3,0,0]=4 177 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,0,0,0,0,1|2,0,1]=4 178 B9R1.1 COC1=CC=C(C)N=C1 8055AB [0,0,0,0,0,1|3,0,0]=4 179 B9R1.1 O=CC1=NN=C(O)C=C1 V9271 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.2 C=CC1=CC(Br)=CN=C1 9938AA [0,0,0,0,0,1|3,0,0]=4 181 B9R1.2 C=CC1=CC(Br)=NC=C1 0785AC [0,0,0,0,0,1|3,0,0]=4 182 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [0,0,0,0,0,1|2,0,0]=3 183 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [0,0,0,0,0,1|2,0,0]=3 184 B9R1.2 C=CC1=NC=CC(Cl)=C1 6889AC [0,0,0,0,0,1|3,0,0]=4 185 B9R1.2 C=CC1=NC=CC(N)=C1 0535AA [0,0,0,0,0,1|3,0,0]=4 186 B9R1.2 CC1=CC(C#N)=CN=C1 5922AB [0,0,0,0,0,1|2,0,1]=4 187 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [0,0,0,0,0,1|2,0,1]=4 188 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [0,0,0,0,0,1|2,0,1]=4 189 B9R1.2 CC1=CC(CN)=CC=N1 6141AC [0,0,0,0,0,1|2,0,1]=4 190 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [0,0,0,0,0,1|2,0,1]=4 191 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [0,0,0,0,0,1|2,0,1]=4 192 B9R1.2 CC1=CC=NC(CN)=N1 8797AH [0,0,0,0,0,1|2,0,1]=4 193 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [0,0,0,0,0,1|1,0,0]=2 194 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [0,0,0,0,0,1|2,0,1]=4 195 B9R1.2 CC1=NC(C#N)=NC=C1 2189AC [0,0,0,0,0,1|2,0,1]=4 196 B9R1.2 CC1=NC(CCl)=NC=C1 Y3172 [0,0,0,0,0,1|2,0,1]=4 197 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,0,0,0,0,1|2,0,1]=4 198 B9R1.2 CC1=NC(CO)=NC=C1 Y3221 [0,0,0,0,0,1|1,0,2]=4 199 B9R1.2 CC1=NC=CC(C#N)=N1 9887AB [0,0,0,0,0,1|2,0,1]=4 200 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [0,0,0,0,0,1|1,0,0]=2 201 B9R1.2 CC1=NC=CC(C=O)=N1 X8509 [0,0,0,0,0,1|1,0,0]=2 202 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,0,0,0,0,1|2,0,1]=4 203 B9R1.2 CNC1=NC=CC(C)=N1 Z2893 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.2 COC1=CC(C)=CN=C1 2251AC [0,0,0,0,0,1|3,0,0]=4 205 B9R1.2 COC1=NC(C)=CN=C1 2865AB [0,0,0,0,0,1|3,0,0]=4 206 B9R1.2 CSC1=NC(C)=CN=C1 2879AB [0,0,0,0,0,1|3,0,0]=4 207 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [0,0,0,0,0,1|2,0,0]=3 208 B9R1.2 NC1=CC=CC(C=O)=C1 X3987 [0,0,0,0,0,1|2,0,0]=3 209 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [0,0,0,0,0,1|2,0,0]=3 210 B9R1.2 O=CC1=CC(F)=NC=C1 X9807 [0,0,0,0,0,1|2,0,0]=3 211 B9R1.2 O=CC1=CC(I)=CN=C1 1479AF [0,0,0,0,0,1|2,0,0]=3 212 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [0,0,0,0,0,1|2,0,0]=3 213 B9R1.2 O=CC1=CN=CC(Cl)=C1 W9911 [0,0,0,0,0,1|2,0,0]=3 214 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [0,0,0,0,0,1|2,0,0]=3 215 B9R1.2 O=CC1=NC=CC(O)=C1 1364AA [0,0,0,0,0,1|2,0,0]=3 216 B6R0.2 CC(=O)SC(C)=O 7216AF [1,0,1,0,0,0|1,0,1]=4 217 B6R0.4 C=C\C=C\C(=O)O Z4964 [1,0,1,0,0,0|0,1,1]=4 218 B6R1.2 BrC1=CC=NS1 7852AB [2,0,0,0,0,0|2,0,0]=4 219 B6R1.2 CC1=NC=CO1 1470AB [2,0,0,0,0,0|1,1,0]=4 220 B6R1.2 CC1=NOC=C1 Z4582 [2,0,0,0,0,0|2,0,0]=4 221 B6R1.2 ClC1=NC=CS1 W5278 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.2 O=C1C=CCN1 V5771 [2,0,0,0,0,0|1,0,1]=4 223 B6R1.2 O=C1C=CCS1 1311AQ [2,0,0,0,0,0|0,0,1]=3 224 B6R1.2 OC1=NC=CS1 W8616 [2,0,0,0,0,0|1,0,1]=4 225 B8R1.7 C=C(C)C1=NC=CS1 5670AL [1,1,0,0,0,0|2,0,0]=4 226 B8R1.7 CC(=O)C1=CN=NS1 X9965 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.7 CC(=O)C1=COC=C1 7011AA [1,1,0,0,0,0|2,0,0]=4 228 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [1,1,0,0,0,0|1,1,0]=4 229 B8R1.7 NC(=O)C1=CNC=C1 1113AC [1,1,0,0,0,0|2,0,0]=4 230 B8R1.7 NC(=O)C1=CNC=N1 2439AB [1,1,0,0,0,0|2,0,0]=4 231 B8R1.7 NC(=O)C1=CSC=C1 4677AE [1,1,0,0,0,0|2,0,0]=4 232 B8R1.7 NC(=S)C1=CN=CS1 Y5427 [1,1,0,0,0,0|1,1,0]=4 233 B8R1.7 NC(=S)C1=NC=CS1 7785AH [1,1,0,0,0,0|1,1,0]=4 234 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [1,1,0,0,0,0|1,1,0]=4 235 B8R1.7 O=C(O)C1=NSC=C1 6302AB [1,1,0,0,0,0|2,0,0]=4 236 B8R1.7 O=C([O-])C1=NC=CS1 4281AE [1,1,0,0,0,0|1,0,0]=3 237 B8R1.8 BrCCC1=CC=CS1 Z5496 [1,1,0,0,0,0|1,0,1]=4 238 B8R1.8 CCNC1=CC=CS1 W4294 [1,1,0,0,0,0|1,0,1]=4 239 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.11 CC1=C(C=O)C=CS1 3068AC [1,1,0,0,0,0|2,0,0]=4 241 B8R1.11 CC1=C(C=O)N=CS1 2250AB [1,1,0,0,0,0|2,0,0]=4 242 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [1,1,0,0,0,0|0,1,0]=3 243 B8R1.11 CC1=C(C=O)OC=N1 5034AD [1,1,0,0,0,0|1,1,0]=4 244 B8R1.11 CC1=C(C=O)SN=C1 4154AC [1,1,0,0,0,0|1,0,0]=3 245 B8R1.11 CC1=C(CO)SC=C1 W7564 [1,1,0,0,0,0|0,0,2]=4 246 B8R1.11 CSC1=C(Br)C=CS1 Z0767 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.11 N#CC1=C(Br)C=CS1 Y5323 [1,1,0,0,0,0|1,0,1]=4 248 B8R1.11 N#CC1=C(F)C=CS1 0104AP [1,1,0,0,0,0|1,0,1]=4 249 B8R1.11 N#CC1=C(N)C=CS1 4387AA [1,1,0,0,0,0|1,0,1]=4 250 B8R1.11 NC1=C(C=O)SC=C1 8259AB [1,1,0,0,0,0|0,0,0]=2 251 B8R1.11 NC1=C(CO)SC=C1 8607AH [1,1,0,0,0,0|0,0,2]=4 252 B8R1.11 NCC1=C(Br)C=CS1 2035AC [1,1,0,0,0,0|1,0,1]=4 253 B8R1.11 NCC1=C(Br)C=CS1 4220AA [1,1,0,0,0,0|1,0,1]=4 254 B8R1.11 O=CC1=C(Br)C=CN1 5568AB [1,1,0,0,0,0|1,0,0]=3 255 B8R1.11 O=CC1=NNC=C1Cl Y9646 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.18 CC1=C(Br)N=C(N)S1 3656AA [1,1,0,0,0,0|2,0,0]=4 257 B8R1.18 CC1=C(Cl)SC(Cl)=C1 F300 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.18 CC1=CC(S)=C(C)O1 U424 [1,1,0,0,0,0|0,1,1]=4 259 B8R1.18 ClC1=C(Cl)SC(Br)=C1 2884AC [1,1,0,0,0,0|2,0,0]=4 260 B8R1.18 O=C1C=C(Br)C(=O)N1 3917AE [1,1,0,0,0,0|2,0,0]=4 261 B8R1.50 CC1=CC=C(C)N1C 4413AL [1,1,0,0,0,0|1,0,1]=4 262 B8R1.50 O=C1C=CC(=O)N1O P914 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.1 CC1=CC=C(NC=O)C=C1 6608AL [0,1,0,0,0,1|1,0,0]=3 264 B10R1.3 C=CC1=CC=C(CN)C=C1 X4444 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.3 CCC1=NC=C(C=O)C=N1 S530 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.3 CNC1=NC=C(C=O)C=C1 8681AE [0,1,0,0,0,1|1,0,0]=3 267 B10R1.3 CNC1=NC=C(C=O)C=N1 7888AE [0,1,0,0,0,1|2,0,0]=4 268 B10R1.3 CSC1=NC=C(C=O)C=C1 Z0204 [0,1,0,0,0,1|1,0,0]=3 269 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [0,1,0,0,0,1|2,0,0]=4 270 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.13 CC(=O)C1=CN=C(C)N=C1 4912AJ [0,1,0,0,0,1|2,0,0]=4 272 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [0,1,0,0,0,1|2,0,0]=4 273 B10R1.13 CC(=O)C1=NC=C(C)N=C1 9503AH [0,1,0,0,0,1|2,0,0]=4 274 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 0919AB [0,1,0,0,0,1|2,0,0]=4 275 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [0,1,0,0,0,1|1,0,0]=3 276 B10R1.13 CC1=CN=C(C(=O)O)N=C1 Z5426 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.13 NC(=O)C1=CN=C(N)C=C1 Z2495 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.13 NC(=O)C1=CN=C(O)C=C1 U983 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.13 NC(=O)C1=NN=C(O)C=C1 6449AJ [0,1,0,0,0,1|2,0,0]=4 280 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [0,1,0,0,0,1|2,0,0]=4 281 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 7848AF [0,1,0,0,0,1|2,0,0]=4 282 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 9979AB [0,1,0,0,0,1|2,0,0]=4 283 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 Y4602 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.25 C(=O)C1=CNC(C)=CC1=O KMA0017 [0,1,0,0,0,1|1,0,0]=3 285 B10R1.25 CC1=C(C=O)C=CC(N)=N1 3414AJ [0,1,0,0,0,1|2,0,0]=4 286 B10R1.25 CC1=C(C=O)C=NC(Br)=C1 5663AC [0,1,0,0,0,1|2,0,0]=4 287 B10R1.25 CC1=CC(Br)=NC=C1C=O Z0096 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.25 CC1=CN=C(C=O)C(C)=C1 Z0771 [0,1,0,0,0,1|1,0,0]=3 289 B10R1.25 CC1=NC(Br)=CC=C1C=O Y4718 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.25 CC1=NC(F)=CC=C1C=O Z0986 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.25 NC1=CC=C(C=O)C(Br)=C1 X5129 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 Z3894 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.25 O=CC1=CC=C(Br)C=C1I 2692AJ [0,1,0,0,0,1|2,0,0]=4 294 B10R1.25 O=CC1=CC=C(Br)N=C1Br Z0686 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.25 O=CC1=CN=C(Br)C=C1Br 3733AA [0,1,0,0,0,1|2,0,0]=4 296 B10R1.25 O=CC1=CN=C(Cl)C=C1Br 1353AA [0,1,0,0,0,1|2,0,0]=4 297 B10R1.25 O=CC1=CN=C(F)C=C1Cl 4845AA [0,1,0,0,0,1|2,0,0]=4 298 B10R1.25 O=CC1=NC=C(Br)C=C1Br 4900AC [0,1,0,0,0,1|2,0,0]=4 299 B10R1.25 O=CC1=NC=C(Cl)C=C1Br Y3906 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.25 O=CC1=NC=C(Cl)C=C1Cl W6408 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.176 CC1=CC(C=O)=CN=C1Br Z0993 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.176 CC1=CC=C(C=O)C=C1I 8694AB [0,1,0,0,0,1|1,0,0]=3 303 B10R1.176 CC1=NC(C=O)=CC=C1F 4137AC [0,1,0,0,0,1|2,0,0]=4 304 B10R1.176 O=CC1=CC(Br)=C(Cl)N=C1 8633AE [0,1,0,0,0,1|2,0,0]=4 305 B10R1.2 C(=O)C1=CNC=C(Br)C1=O KMA0002 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.2 C(=O)C1=CNC=C(C)C1=O KMA0019 [0,1,0,0,0,1|1,0,0]=3 307 B10R1.2 C(=O)C1=CNC=C(Cl)C1=O KMA0018 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.2 C(=O)C1=CNC=C(F)C1=O KMA0003 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.2 CC1=C(C=O)C=CN=C1Cl 2370AC [0,1,0,0,0,1|2,0,0]=4 310 B10R1.2 CC1=C(C=O)C=NC=C1Br Z0536 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.2 CC1=NC=CC(C=O)=C1C Y4384 [0,1,0,0,0,1|1,0,0]=3 312 B10R1.2 NC1=C(C=O)C=CN=C1Cl 5455AA [0,1,0,0,0,1|2,0,0]=4 313 B10R1.2 O=CC1=C(Cl)C(Br)=NC=C1 Y3876 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.8 CC1=CC(C=O)=CC(Cl)=N1 6577AB [0,1,0,0,0,1|1,0,0]=3 315 B10R1.8 CC1=CC(O)=CC(C=O)=C1 9038AB [0,1,0,0,0,1|1,0,0]=3 316 B10R1.8 O=CC1=CC(=O)NC(=O)N1 Y6912 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.10 O=CNC1=NC=CC(Br)=C1 Z9862 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 X2719 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.30 CC1=C(C=O)C=C(O)C=C1 J92794 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.30 CC1=C(C=O)N=C(Cl)C=C1 1066AD [0,1,0,0,0,1|2,0,0]=4 321 B10R1.30 CC1=CC(C=O)=C(N)N=C1 Z3812 [0,1,0,0,0,1|1,0,0]=3 322 B10R1.30 CC1=CC=C(I)C=C1C=O Z0762 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.30 CC1=CC=C(O)C=C1C=O Z0411 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.30 CC1=CN=C(F)C(C=O)=C1 Y3740 [0,1,0,0,0,1|1,0,0]=3 325 B10R1.30 CC1=CNC(=O)C(C=O)=C1 4343AA [0,1,0,0,0,1|1,0,0]=3 326 B10R1.30 NC1=C(C=O)C=C(F)C=C1 7284AA [0,1,0,0,0,1|2,0,0]=4 327 B10R1.30 NC1=C(C=O)C=C(I)C=N1 8537AB [0,1,0,0,0,1|2,0,0]=4 328 B10R1.30 NC1=CC=C(Br)C(C=O)=N1 4362AA [0,1,0,0,0,1|2,0,0]=4 329 B10R1.30 NC1=NC=C(Br)C=C1C=O 7045AD [0,1,0,0,0,1|2,0,0]=4 330 B10R1.30 NC1=NC=C(Cl)N=C1C=O Z5290 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.30 O=CC1=C(Br)N=CC(Br)=C1 Z0892 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.30 O=CC1=C(Cl)N=CC(Cl)=C1 W9918 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.30 O=CC1=CC(Br)=NC=C1Br Y4856 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.30 O=CC1=CC(Cl)=NC=C1Br Z6834 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 3551AC [0,1,0,0,0,1|2,0,0]=4 336 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [0,1,0,0,0,1|2,0,0]=4 337 B10R1.113 CC(=O)C1=CC(F)=CN=C1 4092AB [0,1,0,0,0,1|2,0,0]=4 338 B10R1.113 CC(=O)C1=NC(C)=NC=C1 0456AC [0,1,0,0,0,1|1,0,0]=3 339 B10R1.113 CC(=O)C1=NC(N)=NC=C1 8301AC [0,1,0,0,0,1|2,0,0]=4 340 B10R1.113 CC1=CC(C(=O)O)=NC=N1 6686AA [0,1,0,0,0,1|2,0,0]=4 341 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [0,1,0,0,0,1|1,0,0]=3 342 B10R1.113 CC1=CC(C(N)=S)=NC=C1 5196AD [0,1,0,0,0,1|1,1,0]=4 343 B10R1.113 CC1=NC(C(N)=O)=NC=C1 6042AA [0,1,0,0,0,1|1,0,0]=3 344 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 6013AL [0,1,0,0,0,1|2,0,0]=4 345 B10R1.113 NC(=O)C1=CN=CC(F)=C1 V7403 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.113 NC(=O)C1=NC(N)=CC=C1 3423AJ [0,1,0,0,0,1|2,0,0]=4 347 B10R1.113 NC1=CC(C(=O)[O-])=CC=C1 5988AL [0,1,0,0,0,1|2,0,0]=4 348 B10R1.113 NC1=NC=CC(C(=O)O)=N1 W4491 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 J70037 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 Z2563 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.113 O=C(O)C1=NC(I)=CC=C1 5470AE [0,1,0,0,0,1|2,0,0]=4 352 B10R1.113 O=C(O)C1=NC=CC(F)=C1 W9141 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 6772AE [0,1,0,0,0,1|2,0,0]=4 354 B10R1.172 CCC1=NC(C=O)=CC=N1 5047AH [0,1,0,0,0,1|1,0,0]=3 355 B10R1.172 N#CC1=CC=NC(C=O)=C1 2671AA [0,1,0,0,0,1|1,0,1]=4 356 B10R1.172 O=CC1=NC(CO)=CC=C1 Y8988 [0,1,0,0,0,1|1,0,0]=3 357 B10R1.14 CC1=NC(C(=O)NN)=CO1 Y5454 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.14 CCC(=O)C1=CC=C(Br)S1 0221AE [0,2,0,0,0,0|1,0,0]=3 359 B10R1.14 CCC(=O)C1=CC=C(C)S1 6348AE [0,2,0,0,0,0|0,0,0]=2 360 B10R1.14 CN1C=CC(C(=O)CCl)=C1 3400AD [0,2,0,0,0,0|2,0,0]=4 361 B10R1.14 CNC(C)C1=CC=C(C)S1 0044AD [0,2,0,0,0,0|1,0,1]=4 362 B10R1.14 COC(=O)C1=CC=C(N)O1 3572AL [0,2,0,0,0,0|1,1,0]=4 363 B10R1.14 COC(=O)C1=CN=C(C)O1 Y9732 [0,2,0,0,0,0|1,1,0]=4 364 B10R1.14 COC(=O)C1=CN=C(C)S1 Y5463 [0,2,0,0,0,0|1,0,0]=3 365 B10R1.54 CC(=O)NC1=NC(C)=CS1 W8155 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.54 CC(=O)NC1=NC=C(Cl)S1 0584AQ [0,2,0,0,0,0|2,0,0]=4 367 B10R1.54 CC1=CC=C(CC(=O)O)S1 0941AC [0,2,0,0,0,0|0,0,0]=2 368 B10R1.54 CC1=CSC(CC(N)=O)=N1 5602AD [0,2,0,0,0,0|2,0,0]=4 369 B10R1.54 CC1=NC(CC(N)=O)=CS1 6231AD [0,2,0,0,0,0|2,0,0]=4 370 B10R1.54 CC1=NN(CC(=O)O)C=C1 9479AA [0,2,0,0,0,0|2,0,0]=4 371 B10R1.96 CCCC1=CC=C(C=O)O1 4387AD [0,2,0,0,0,0|0,1,0]=3 372 B10R1.31 C#CC1=CC=C(C(C)=O)S1 0109AC [0,2,0,0,0,0|0,0,1]=3 373 B10R1.31 CC(=O)C1=CC(C=O)=CS1 3015AE [0,2,0,0,0,0|2,0,0]=4 374 B10R1.31 CC(=O)C1=CC=C(C#N)O1 6108AA [0,2,0,0,0,0|0,1,1]=4 375 B10R1.31 CC(C)C1=CSC(C=O)=N1 5629AH [0,2,0,0,0,0|2,0,0]=4 376 B10R1.31 CC(C)C1=NC(C=O)=CO1 5073AH [0,2,0,0,0,0|2,0,0]=4 377 B10R1.31 CC(C)N1C=CC(C=O)=C1 4717AH [0,2,0,0,0,0|2,0,0]=4 378 B10R1.31 CCC1=CC(C(=O)O)=CS1 Y1108 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.31 CCC1=CC=C(B(O)O)S1 V3630 [0,2,0,0,0,0|1,0,1]=4 380 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 9939AB [0,2,0,0,0,0|0,0,0]=2 381 B10R1.31 CCC1=CC=C(C(=O)O)O1 8236AB [0,2,0,0,0,0|0,1,0]=3 382 B10R1.31 CCC1=CC=C(C(=O)O)S1 Z2977 [0,2,0,0,0,0|0,0,0]=2 383 B10R1.31 CCC1=CSC(C(=O)O)=N1 0041AD [0,2,0,0,0,0|2,0,0]=4 384 B10R1.31 CCC1=NC(C(=O)O)=CO1 X5111 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.31 CCC1=NC(C(=O)O)=CS1 1990AC [0,2,0,0,0,0|2,0,0]=4 386 B10R1.31 CN(C)C1=CC=C(C=O)O1 1748AE [0,2,0,0,0,0|0,1,0]=3 387 B10R1.31 CNC1=NC(C(=O)O)=CS1 0818AD [0,2,0,0,0,0|2,0,0]=4 388 B10R1.31 COC1=CC=C(C(=O)O)O1 3836AF [0,2,0,0,0,0|0,1,0]=3 389 B10R1.31 COC1=CN=C(C(=O)O)O1 X5064 [0,2,0,0,0,0|1,1,0]=4 390 B10R1.31 CSC1=NC(C(=O)O)=CS1 2804AF [0,2,0,0,0,0|2,0,0]=4 391 B10R1.31 N#CC1=CC=C(C(=O)O)O1 0820AB [0,2,0,0,0,0|0,1,1]=4 392 B10R1.31 N#CC1=CC=C(C(=O)O)S1 6438AE [0,2,0,0,0,0|0,0,1]=3 393 B10R1.31 NCC1=CC=C([N+](=O)[O-])S1 5247AJ [0,2,0,0,0,0|1,0,0]=3 394 B10R1.31 O=[N+]([O-])C1=CC=C(CO)S1 4775AJ [0,2,0,0,0,0|1,0,0]=3 395 B10R1.35 CN1C=C(C=O)C=C1C#N 5619AH [0,2,0,0,0,0|2,0,0]=4 396 B10R1.34 CC1=C(C)N(C)C(C=O)=N1 6234AD [0,2,0,0,0,0|2,0,0]=4 397 B10R1.34 CC1=CC(C=O)=C(C)N1C 5345AE [0,2,0,0,0,0|2,0,0]=4 398 B10R1.59 CC(=O)C1=C(C)N=C(C)O1 7834AD [0,2,0,0,0,0|1,1,0]=4 399 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 W6043 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 W8979 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.59 CC1=C(C(N)=O)SC(N)=N1 3943AE [0,2,0,0,0,0|2,0,0]=4 402 B10R1.59 CC1=CC(Br)=C(B(O)O)S1 Z9844 [0,2,0,0,0,0|1,0,1]=4 403 B10R1.59 CC1=CN(C)N=C1C(=O)O 4727AC [0,2,0,0,0,0|2,0,0]=4 404 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 X9459 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 J11007 [0,2,0,0,0,0|1,1,0]=4 406 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 0214AC [0,2,0,0,0,0|2,0,0]=4 407 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 2608AJ [0,2,0,0,0,0|2,0,0]=4 408 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 2609AJ [0,2,0,0,0,0|2,0,0]=4 409 B10R1.59 O=C(O)C1=C(Cl)C=C(Br)S1 2939AC [0,2,0,0,0,0|1,0,0]=3 410 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 2990AB [0,2,0,0,0,0|0,0,0]=2 411 B10R1.58 CC1=C(Br)SC(C(=O)O)=N1 3134AJ [0,2,0,0,0,0|2,0,0]=4 412 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 5554AB [0,2,0,0,0,0|0,0,0]=2 413 B10R1.58 CC1=CC(C(N)=O)=NN1C Z2263 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.58 CN1N=C(C(=O)O)C=C1Cl 9929AC [0,2,0,0,0,0|2,0,0]=4 415 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 4819AC [0,2,0,0,0,0|1,0,0]=3 416 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 4820AC [0,2,0,0,0,0|1,0,0]=3 417 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 1031AE [0,2,0,0,0,0|2,0,0]=4 418 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)S1 V6612 [0,2,0,0,0,0|1,0,0]=3 419 B10R1.55 CC1=CC=C(S(N)(=O)=O)S1 5139AE [0,2,0,0,0,0|1,0,0]=3 420 B10R1.55 O=S(=O)(F)C1=CC=C(Br)S1 0566AQ [0,2,0,0,0,0|2,0,0]=4 421 B10R1.194 CC1=CC=C(C(=N)N)N1C 9088AE [0,2,0,0,0,0|2,0,0]=4 422 B10R1.194 CC1=CSC(C(=O)O)=C1C 4849AC [0,2,0,0,0,0|2,0,0]=4 423 B8R1.5 O=C1OC=CC=C1O W6519 [0,0,1,1,0,0|1,1,0]=4 424 B10R2.2 CC1=NC2=C(C=CS2)S1 C920 [0,1,0,1,0,0|1,1,0]=4