0 B8R1.1 BrCC1=CN=C(Br)S1 24688 [0,0,0,0,0,0|3,1,0]=4 1 B8R1.1 C#CC1=CSC(C)=N1 32023 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.1 CC1=CC=C(CN)S1 71266 [0,0,0,0,0,0|1,1,0]=2 7 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,0,0,0,0,0|0,1,0]=1 8 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,0,0,0,0,0|1,1,2]=4 9 B8R1.1 CC1=CN=C(CO)N1 P16461 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.1 CC1=CN=C(CO)S1 C73831 [0,0,0,0,0,0|1,1,0]=2 11 B8R1.1 CC1=CNC(C#N)=N1 O11258 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.1 CC1=CSC(CCl)=N1 W16105 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.1 CC1=CSC(CO)=N1 78422 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.1 CC1=NC(C#N)=CS1 24243 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.1 CC1=NC(CBr)=CS1 C76311 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.1 CC1=NC(CBr)=NO1 F13555 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 CC1=NC(CCl)=NO1 C71636 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CC1=NC(CN)=NO1 72162 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CC1=NC(CO)=CN1 22905 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.1 CC1=NC=C(C#N)S1 F13465 [0,0,0,0,0,0|2,1,1]=4 24 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,0,0,0,0,0|1,0,2]=3 25 B8R1.1 CC1=NC=C(CBr)S1 F16665 [0,0,0,0,0,0|2,1,0]=3 26 B8R1.1 CC1=NC=C(CN)S1 72160 [0,0,0,0,0,0|2,1,0]=3 27 B8R1.1 CC1=NC=C(CN)S1 F14010 [0,0,0,0,0,0|2,1,0]=3 28 B8R1.1 CC1=NN=C(CN)N1 AT12331 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CC1=NN=C(CN)S1 F30252 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.1 CC1=NN=C(CO)S1 F13044 [0,0,0,0,0,0|2,1,0]=3 31 B8R1.1 CC1=NNC(CO)=C1 71135 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.1 CC1=NNC(CO)=N1 W19133 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CC1=NOC(CN)=C1 20228 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.1 CC1=NOC(CN)=N1 S10792 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,0,0,0,0,0|1,0,0]=1 37 B8R1.1 CCC1=CN=C(N)S1 84403 [0,0,0,0,0,0|3,1,0]=4 38 B8R1.1 CN1C=C(CCl)C=N1 71934 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 CN1C=CC(C#N)=N1 35174 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [0,0,0,0,0,0|2,0,2]=4 41 B8R1.1 CN1C=CC(CCl)=N1 33393 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.1 CN1C=NC(CCl)=N1 29909 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 CN1C=NC(CN)=C1 38318 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.1 CN1C=NC(CN)=C1 82874 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.1 CN1C=NC(CO)=N1 26175 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,0,0,0,0,0|0,0,4]=4 47 B8R1.1 N#CC1=CC=C(Br)N1 D82532 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.1 N#CC1=CC=C(Br)O1 C75300 [0,0,0,0,0,0|2,0,1]=3 49 B8R1.1 N#CC1=CC=C(F)S1 37626 [0,0,0,0,0,0|2,1,1]=4 50 B8R1.1 N#CC1=CC=C(I)S1 C73627 [0,0,0,0,0,0|2,1,1]=4 51 B8R1.1 N#CC1=CC=C(N)S1 53143 [0,0,0,0,0,0|2,1,1]=4 52 B8R1.1 NC1=NC(CO)=NN1 52868 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.1 NC1=NN=C(CO)S1 AT18876 [0,0,0,0,0,0|3,1,0]=4 54 B8R1.1 NC1=NNC(CO)=C1 P10905 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.1 NCC1=CC=C(Br)S1 P15264 [0,0,0,0,0,0|2,1,0]=3 57 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [0,0,0,0,0,0|2,1,0]=3 58 B8R1.1 NCC1=CN=C(Br)S1 C13963 [0,0,0,0,0,0|3,1,0]=4 59 B8R1.1 NCC1=CN=C(Br)S1 S11077 [0,0,0,0,0,0|3,1,0]=4 60 B8R1.1 NCC1=CSC(Br)=C1 P11133 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.1 NCC1=NC(Br)=CS1 22984 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.1 NCC1=NC(Br)=CS1 68978 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.1 NCC1=NC=C(Br)S1 37716 [0,0,0,0,0,0|3,1,0]=4 64 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,0,0,0,0,0|1,0,3]=4 65 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,0,0,0,0,0|2,0,2]=4 66 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [0,0,0,0,0,0|2,0,2]=4 67 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [0,0,0,0,0,0|2,0,2]=4 68 B8R1.1 OCC1=CC(Br)=NO1 69279 [0,0,0,0,0,0|4,0,0]=4 69 B8R1.1 OCC1=CSC(Cl)=C1 37630 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.1 OCC1=NC=C(Br)S1 37717 [0,0,0,0,0,0|2,1,0]=3 71 B8R1.1 OCC1=NC=C(Cl)S1 P11456 [0,0,0,0,0,0|2,1,0]=3 72 B8R1.1 OCC1=NNC(Br)=C1 P17372 [0,0,0,0,0,0|4,0,0]=4 73 B7R1.1 BrCC1=CC=NO1 33595 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.1 BrCC1=CN=CO1 92893 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.1 BrCC1=COC=N1 70925 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 BrCC1=CSC=N1 73558 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 BrCC1=NC=CO1 92941 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 BrCC1=NC=CS1 73557 [1,0,0,0,0,0|2,1,0]=4 79 B7R1.1 BrCC1=NOC=C1 71749 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,0,0,0|1,1,1]=4 81 B7R1.1 CCC1=NN=CO1 C10407 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,0,0|1,1,0]=3 85 B7R1.1 ClCC1=CC=NO1 33348 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.1 ClCC1=CN=CO1 RB3366 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.1 ClCC1=COC=N1 D97597 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 ClCC1=NC=CS1 BL005472 [1,0,0,0,0,0|2,1,0]=4 89 B7R1.1 ClCC1=NOC=C1 F13567 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 N#CC1=CC=NO1 F30844 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.1 N#CC1=NC=CO1 57346 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.1 NCC1=CC=NO1 33343 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.1 NCC1=CC=NO1 33364 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.1 NCC1=CN=CS1 24148 [1,0,0,0,0,0|2,1,0]=4 96 B7R1.1 NCC1=CNC=C1 F12967 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.1 NCC1=CNC=N1 26566 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.1 NCC1=COC=N1 25090 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.1 NCC1=CSC=N1 24147 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.1 NCC1=CSC=N1 Y14444 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.1 NCC1=NC=CN1 C72548 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.1 NCC1=NN=CO1 S11004 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.1 NCC1=NNC=C1 36190 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.1 NCC1=NOC=C1 W10075 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,0,0,0|0,1,2]=4 106 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,0,0,0|1,0,2]=4 107 B7R1.1 OCC1=CC=NO1 33580 [1,0,0,0,0,0|1,0,0]=2 108 B7R1.1 OCC1=CC=NS1 53001 [1,0,0,0,0,0|1,1,0]=3 109 B7R1.1 OCC1=CON=C1 73633 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.1 OCC1=CSN=C1 83209 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.1 OCC1=NNC=N1 83468 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.1 OCC1=NNC=N1 F53081 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.1 OCN1C=CN=C1 F11598 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,0,0,0,0,0|1,0,0]=2 115 B7R1.2 CC1=CN(C)C=N1 11615 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.2 CC1=CN=C(N)O1 80158 [1,0,0,0,0,0|2,0,0]=3 117 B7R1.2 CC1=CN=C(N)S1 C13827 [1,0,0,0,0,0|2,1,0]=4 118 B7R1.2 CC1=CNC(=O)N1 O11257 [1,0,0,0,0,0|2,0,1]=4 119 B7R1.2 CC1=CNC(=O)S1 C90545 [1,0,0,0,0,0|1,1,1]=4 120 B7R1.2 CC1=COC(Br)=N1 S10976 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.2 CC1=COC(S)=N1 W16843 [1,0,0,0,0,0|2,1,0]=4 122 B7R1.2 CC1=CSC(Br)=C1 C15930 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.2 CC1=CSC(C)=C1 O10605 [1,0,0,0,0,0|2,0,0]=3 124 B7R1.2 CC1=CSC(I)=N1 W17362 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.2 CC1=NC=C(Br)S1 29668 [1,0,0,0,0,0|2,1,0]=4 126 B7R1.2 CC1=NC=C(N)S1 80222 [1,0,0,0,0,0|2,1,0]=4 127 B7R1.2 CC1=NN=C(C)C1 N10051 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.2 CC1=NN=C(N)O1 71460 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.2 CC1=NN=C(S)O1 F19936 [1,0,0,0,0,0|2,1,0]=4 130 B7R1.2 CC1=NOC(O)=N1 C90490 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.2 CN1C=C(O)C=N1 W16286 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.2 CN1C=CC(N)=C1 O10425 [1,0,0,0,0,0|3,0,0]=4 133 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,0,0,0|0,0,2]=3 134 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [1,0,0,0,0,0|1,0,1]=3 135 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [1,0,0,0,0,0|1,0,2]=4 136 B7R1.2 OC1=CC=C(Br)S1 C72253 [1,0,0,0,0,0|1,1,0]=3 137 B7R1.2 OC1=NC(Br)=CS1 C71316 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,1,0,0,0,0|1,1,0]=3 139 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,0,0,0|0,0,0]=1 140 B9R1.7 CCO[C@@H]1C=CC(=O)O1 91454 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.7 CN1C=CC(CNN)=N1 P18046 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.7 N#CCC1=CC=C(Br)S1 C10185 [0,1,0,0,0,0|2,1,0]=4 143 B9R1.21 CCC1=NOC(CO)=C1 D78962 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.21 CCN1C=C(CO)C=N1 71382 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.21 CSC1=CC=C(CO)O1 D93647 [0,1,0,0,0,0|0,0,0]=1 146 B9R1.21 N#CC1=CC=C(C#N)O1 D83197 [0,1,0,0,0,0|1,0,2]=4 147 B9R1.21 N#CC1=CC=C(CBr)O1 D94913 [0,1,0,0,0,0|1,0,1]=3 148 B9R1.21 N#CC1=CC=C(CBr)S1 26290 [0,1,0,0,0,0|1,1,1]=4 149 B9R1.21 N#CC1=CC=C(CN)O1 AT17204 [0,1,0,0,0,0|1,0,1]=3 150 B9R1.21 N#CC1=CC=C(CN)S1 AB1094 [0,1,0,0,0,0|1,1,1]=4 151 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [0,1,0,0,0,0|0,0,2]=3 152 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [0,1,0,0,0,0|1,0,1]=3 153 B9R1.21 OCC1=CC(CO)=NN1 F11497 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.22 CC1=C(CBr)OC(=O)O1 78356 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.22 CC1=CC(N)=C(C#N)S1 50003 [0,1,0,0,0,0|1,1,1]=4 156 B9R1.22 CC1=NC(Br)=C(CBr)S1 C73419 [0,1,0,0,0,0|2,1,0]=4 157 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,1,0,0,0,0|2,1,0]=4 158 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,1,0,0,0,0|1,1,0]=3 159 B9R1.22 CC1=NC(CO)=C(Br)S1 W18069 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.22 CN1C=C(F)C(CO)=N1 97595 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.22 OCC1=C(Br)N=C(Br)S1 35934 [0,1,0,0,0,0|2,1,0]=4 163 B9R1.23 CC1=C(C)SC(CO)=N1 S11102 [0,1,0,0,0,0|1,1,0]=3 164 B9R1.23 CC1=CC(CCl)=NN1C 38503 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.23 CCC1=NC(C)=C(Br)S1 C76798 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.23 CCN1C=C(N)C(C)=N1 D79752 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.23 OCC1=NC(Cl)=C(Cl)N1 32128 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,1,0,0,0,0|2,0,1]=4 169 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,1,0,0,0,0|1,0,2]=4 170 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,1,0,0,0,0|1,0,1]=3 174 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 38491 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.35 FC(F)C1=CC=C(Br)S1 W16588 [0,1,0,0,0,0|2,1,0]=4 179 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,1,0,0,0,0|1,1,1]=4 180 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,1,0,0,0,0|1,1,1]=4 181 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 AC1555 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.132 CC1=C(CO)N=CN1C 70857 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.132 CN1C(CO)=CN=C1N 77751 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.132 CN1C(Cl)=CN=C1CO C74718 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.132 CN1N=CC(CO)=C1Br 97715 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.132 CN1N=CC(CO)=C1Cl W16169 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.4 C\C=C/C=C/C(=O)O D86563 [0,0,1,0,0,0|2,0,1]=4 188 B9R2.68 C1=CC2COCC1N2 W14556 [0,0,0,1,0,0|1,0,2]=4 189 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [0,0,0,0,0,1|2,0,0]=3 191 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,0,0,0,0,1|2,0,0]=3 192 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,0,0,0,0,1|2,0,0]=3 193 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.1 CC1=CN=C(CCl)N=C1 27405 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.1 CC1=CN=C(CN)N=C1 38455 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.1 CC1=CN=C(CN)N=C1 72570 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.1 CC1=CN=C(CN)N=C1 W10072 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.1 CC1=CN=C(CO)C=N1 26144 [0,0,0,0,0,1|2,0,0]=3 200 B9R1.1 CC1=CN=C(CO)N=C1 38636 [0,0,0,0,0,1|2,0,0]=3 201 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.1 CC1=NC=C(CBr)C=N1 C76568 [0,0,0,0,0,1|3,0,0]=4 203 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [0,0,0,0,0,1|2,0,0]=3 204 B9R1.1 CC1=NC=C(CCl)C=N1 P16099 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.1 CC1=NC=C(CN)C=C1 72232 [0,0,0,0,0,1|2,0,0]=3 206 B9R1.1 CC1=NC=C(CN)C=N1 81411 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.1 CC1=NN=C(C#N)C=C1 37499 [0,0,0,0,0,1|2,0,1]=4 208 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [0,0,0,0,0,1|1,0,0]=2 209 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.1 CN1CC=C(CO)CC1 AC1022 [0,0,0,0,0,1|2,0,1]=4 218 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.1 ClCC1=NN=C(Cl)C=C1 C72652 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.1 ClCC1=NN=C(Cl)C=C1 P10986 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.1 NCC1=NC=C(F)C=C1 70856 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [0,0,0,0,0,1|3,0,0]=4 235 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.1 NCC1=NC=C(O)C=C1 24338 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.1 NCC1=NN=C(Cl)C=C1 C76852 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [0,0,0,0,0,1|2,0,0]=3 239 B9R1.1 OCC1=CN=C(Cl)N=C1 BL010346 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.1 OCC1=NC=C(Cl)C=N1 P10956 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.1 OCC1=NC=C(F)C=N1 P11889 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.1 OCC1=NN=C(Cl)C=C1 P11311 [0,0,0,0,0,1|2,0,0]=3 243 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,0,0,0,0,1|2,0,1]=4 244 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [0,0,0,0,0,1|2,0,1]=4 245 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [0,0,0,0,0,1|2,0,1]=4 246 B9R1.2 CC1=CC(C#N)=CN=C1 71242 [0,0,0,0,0,1|2,0,1]=4 247 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.2 CC1=CC(CCl)=NC=N1 F30459 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,0,0,0,0,1|2,0,0]=3 250 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,0,0,0,0,1|2,0,0]=3 251 B9R1.2 CC1=CC(CO)=NC=N1 38642 [0,0,0,0,0,1|2,0,0]=3 252 B9R1.2 CC1=CC(CO)=NN=C1 F30430 [0,0,0,0,0,1|2,0,0]=3 253 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,0,0,0,0,1|2,0,0]=3 255 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.2 CC1=CC=NC(C#N)=N1 20318 [0,0,0,0,0,1|2,0,1]=4 257 B9R1.2 CC1=CC=NC(CN)=N1 72797 [0,0,0,0,0,1|2,0,0]=3 258 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,0,0,0,0,1|1,0,0]=2 259 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [0,0,0,0,0,1|2,0,1]=4 260 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,0,0,0,0,1|1,0,2]=4 261 B9R1.2 CC1=CN=CC(CN)=C1 72799 [0,0,0,0,0,1|2,0,0]=3 262 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [0,0,0,0,0,1|2,0,0]=3 263 B9R1.2 CC1=NC=CC(CN)=C1 72809 [0,0,0,0,0,1|2,0,0]=3 264 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,0,0,0,0,1|1,0,0]=2 265 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,0,0,0,0,1|2,0,0]=3 269 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.2 CNC1=NC(C)=CN=C1 74811 [0,0,0,0,0,1|3,0,0]=4 272 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.2 ClC1=NC=CC(CBr)=C1 A10561 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.2 ClCC1=CC=NC(Cl)=N1 P10955 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.2 ClCC1=NC=CC(Cl)=N1 F19722 [0,0,0,0,0,1|3,0,0]=4 280 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.2 NC1=CC(CO)=CN=C1 20770 [0,0,0,0,0,1|2,0,0]=3 284 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [0,0,0,0,0,1|2,0,0]=3 285 B9R1.2 NC1=CC=CC(CF)=C1 32172 [0,0,0,0,0,1|3,0,0]=4 286 B9R1.2 NC1=CC=NC(CCl)=N1 Y10182 [0,0,0,0,0,1|3,0,0]=4 287 B9R1.2 NC1=NC=CC(CBr)=C1 W11110 [0,0,0,0,0,1|3,0,0]=4 288 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [0,0,0,0,0,1|3,0,0]=4 290 B9R1.2 NCC1=CC(Cl)=NC=C1 71552 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.2 NCC1=CC(F)=NC=C1 73765 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.2 NCC1=CC=CC(=O)N1 78897 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [0,0,0,0,0,1|3,0,0]=4 294 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.2 NCC1=CC=CC(F)=N1 25846 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [0,0,0,0,0,1|3,0,0]=4 300 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.2 O=C1C=C(CO)C=CN1 37365 [0,0,0,0,0,1|2,0,0]=3 304 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [0,0,0,0,0,1|2,0,0]=3 305 B9R1.2 OCC1=CC(Cl)=NC=N1 59934 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.2 OCC1=CC=NC(Cl)=N1 F53087 [0,0,0,0,0,1|2,0,0]=3 307 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [0,0,0,0,0,1|2,0,0]=3 308 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [0,0,0,0,0,1|2,0,0]=3 309 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,0,0,0,0,1|2,0,0]=3 310 B6R0.4 COC=CC(=O)O D97266 [1,0,1,0,0,0|1,0,1]=4 311 B6R0.4 O=C(O)\C=C\CCl 11303 [1,0,1,0,0,0|2,0,0]=4 312 B6R0.4 O=C\C=C\B(O)O A50009 [1,0,1,0,0,0|2,0,0]=4 313 B6R1.2 BrC1=NC=CO1 N12756 [2,0,0,0,0,0|2,0,0]=4 314 B6R1.2 CC1=CC=CN1 23756 [2,0,0,0,0,0|1,0,0]=3 315 B6R1.2 CC1=CNC=C1 59365 [2,0,0,0,0,0|2,0,0]=4 316 B6R1.2 CC1=COC=C1 W18310 [2,0,0,0,0,0|2,0,0]=4 317 B6R1.2 CC1=NOC=C1 35767 [2,0,0,0,0,0|2,0,0]=4 318 B6R1.2 IC1=NC=CO1 38371 [2,0,0,0,0,0|2,0,0]=4 319 B6R1.2 NC1=CC=NO1 AB9529 [2,0,0,0,0,0|2,0,0]=4 320 B6R1.2 OC1=NC=CS1 25638 [2,0,0,0,0,0|1,1,0]=4 321 B6R1.2 OC1=NOC=C1 W15437 [2,0,0,0,0,0|2,0,0]=4 322 B6R1.2 SC1=CC=CS1 23061 [2,0,0,0,0,0|0,2,0]=4 323 B8R1.7 CC(C)C1=CC=CO1 81450 [1,1,0,0,0,0|1,0,0]=3 324 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [1,1,0,0,0,0|1,0,0]=3 325 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [1,1,0,0,0,0|1,0,0]=3 326 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,1,0,0,0,0|1,1,0]=4 327 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,1,0,0,0,0|1,1,0]=4 328 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,1,0,0,0,0|1,1,0]=4 329 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,1,0,0,0,0|1,1,0]=4 330 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,1,0,0,0,0|1,1,0]=4 331 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [1,1,0,0,0,0|1,1,0]=4 333 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [1,1,0,0,0,0|2,0,0]=4 334 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.8 CNCC1=CC=NO1 27030 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.8 COCC1=CN=CN1 AC8003 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.8 NCCC1=CC=CN1 31556 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.8 NCCC1=CC=CN1 F10331 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.8 OCCC1=CC=CN1 AB10351 [1,1,0,0,0,0|1,0,0]=3 341 B8R1.8 OCCC1=CC=CO1 W10532 [1,1,0,0,0,0|0,0,0]=2 342 B8R1.8 OCCC1=COC=C1 D93026 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.8 OCCC1=NNC=C1 22974 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.11 CC1=C(CO)C=CO1 30727 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.11 CC1=C(CO)N=CO1 AT18595 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.11 CC1=C(CO)NN=C1 F52703 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.11 CC1=CSC=C1CO 57803 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.11 CN1C=CC=C1CN 88916 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.11 CN1C=CC=C1CO D82110 [1,1,0,0,0,0|1,0,0]=3 350 B8R1.11 NC1=C(CO)SC=C1 70866 [1,1,0,0,0,0|0,1,0]=3 351 B8R1.11 NCC1=C(Cl)C=CS1 38405 [1,1,0,0,0,0|1,1,0]=4 352 B8R1.11 OCC1=C(Br)N=CS1 26511 [1,1,0,0,0,0|1,1,0]=4 353 B8R1.18 CC1=C(C)OC(N)=N1 F16841 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [1,1,0,0,0,0|0,1,0]=3 355 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [1,1,0,0,0,0|0,1,0]=3 356 B8R1.18 CC1=CC(N)=C(C)S1 86689 [1,1,0,0,0,0|0,1,0]=3 357 B8R1.18 CC1=C[C@@H](O)OC1=O C77517 [1,1,0,0,0,0|1,0,1]=4 358 B8R1.18 CC1=NC(Br)=C(C)S1 C77077 [1,1,0,0,0,0|1,1,0]=4 359 B8R1.18 CC1=NC(C)=C(Br)S1 C15490 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.18 CC1=NN(C)C=C1Cl 57531 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.18 CC1=NN(C)C=C1I C76091 [1,1,0,0,0,0|2,0,0]=4 363 B8R1.18 CC1=NN(C)C=C1O F30460 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [1,1,0,0,0,0|1,0,1]=4 365 B8R1.50 CC1=CSC(C)=C1N AT16742 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.1 CC1=CN=C(CC#N)C=C1 C74949 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [0,1,0,0,0,1|1,0,0]=3 369 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.1 COCC1=CC=C(O)C=C1 63646 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [0,1,0,0,0,1|1,1,0]=4 372 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.3 C#CC1=CN=C(CO)C=C1 AC2758 [0,1,0,0,0,1|1,0,1]=4 376 B10R1.3 C=CC1=CC=C(CO)C=C1 F14590 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [0,1,0,0,0,1|1,0,0]=3 378 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.3 COC1=CN=C(CO)N=C1 F30447 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.3 COC1=NC=C(CO)C=N1 P11192 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.3 COC1=NC=C(CO)N=C1 F30445 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.3 COC1=NN=C(CO)C=C1 P11745 [0,1,0,0,0,1|1,0,0]=3 387 B10R1.3 CSC1=NC=C(CO)C=N1 S10007 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.3 N#CC1=CN=C(CO)C=C1 36548 [0,1,0,0,0,1|1,0,1]=4 389 B10R1.3 NCC1=CC=C(CBr)C=C1 54465 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.3 NCC1=CC=C(CCl)C=C1 51899 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.3 SCC1=CC=C(CS)C=C1 T70041 [0,1,0,0,0,1|1,1,0]=4 392 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,1,0,0,0,1|1,0,0]=3 395 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,1,0,0,0,1|1,0,0]=3 397 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.25 CC1=C(CO)C=CC(F)=N1 C76920 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.25 CC1=C(CO)C=CC(N)=C1 F19834 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.25 CC1=CC(Br)=C(CCl)N=C1 D96976 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.25 CC1=CC(Br)=C(CN)C=C1 W19042 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.25 CC1=CC(Br)=C(CN)N=C1 24111 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.25 CC1=CC(Br)=C(CO)N=C1 D96975 [0,1,0,0,0,1|1,0,0]=3 410 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 N12896 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.25 CC1=CC(N)=C(CO)C=N1 C72979 [0,1,0,0,0,1|1,0,0]=3 413 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 C77257 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 W17836 [0,1,0,0,0,1|1,0,0]=3 415 B10R1.25 CC1=CN=C(CN)C(C)=C1 D83303 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [0,1,0,0,0,1|1,0,0]=3 417 B10R1.25 NC1=C(CO)C=CC(Br)=N1 97230 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.25 NC1=CC(Br)=CN=C1CO 39153 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 BL010228 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.25 OCC1=C(Br)C=C(O)C=C1 98273 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.25 OCC1=C(Cl)C=C(F)C=N1 BL010214 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 CL9122 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.25 OCC1=C(F)C=C(F)C=N1 78724 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.25 OCC1=C(F)N=C(Cl)C=C1 D70022 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 95677 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.25 OCC1=C(O)C=C(Br)C=C1 35526 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.25 OCC1=CC=C(Br)N=C1Br C75600 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.25 OCC1=NC=C(Br)C=C1Cl 97688 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.176 CC1=C(Br)C=C(CO)N=C1 AC5138 [0,1,0,0,0,1|1,0,0]=3 430 B10R1.176 CC1=C(Br)C=C(CO)N=C1 F31019 [0,1,0,0,0,1|1,0,0]=3 431 B10R1.176 CC1=C(Br)C=CC(CO)=N1 91337 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.176 CN1C=C(CO)C=CC1=O 37238 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.176 CN1C=CC(CO)=CC1=O 37252 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.176 NC1=C(F)C=C(CO)C=C1 74966 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.176 NC1=C(O)C=CC(CO)=C1 Y13579 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.176 OCC1=CC(Cl)=C(F)C=N1 P10865 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.176 OCC1=CC(I)=C(Cl)N=C1 C72451 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.176 OCC1=CC(O)=C(F)C=C1 C77207 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.176 OCC1=CN=C(Cl)C(Cl)=C1 89008 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.2 CC1=C(Br)C=NC=C1CO W10840 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.2 CC1=C(I)C=CC=C1CO CL9687 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.2 CC1=CC=CC(CN)=C1F CL9718 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.2 CC1=CC=CC(CN)=C1O Y10488 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.2 CC1=CC=CC(CO)=C1Br 74396 [0,1,0,0,0,1|1,0,0]=3 448 B10R1.2 CC1=CC=CC(CO)=C1O F20046 [0,1,0,0,0,1|1,0,0]=3 449 B10R1.2 CN1C=CC=C(CO)C1=O 37246 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.2 NC1=C(Br)C=NC=C1CO C73470 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.2 NC1=C(F)C=CC=C1CO W11419 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.2 OCC1=C(Cl)C(Cl)=NC=C1 W18487 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.2 OCC1=CC=CC(F)=C1Br 35519 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.2 OCC1=CC=CC(F)=C1Cl CL8694 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.2 OCC1=CC=CC(F)=C1I 79245 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.2 OCC1=CC=CC(I)=C1Br CL8691 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.8 CC1=CC(=O)C=C(CBr)O1 AT10856 [0,1,0,0,0,1|1,0,0]=3 458 B10R1.8 CC1=CC(Br)=CC(CN)=C1 92716 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.8 CC1=CC(Br)=CC(CO)=C1 52074 [0,1,0,0,0,1|1,0,0]=3 460 B10R1.8 CC1=CC(Br)=CC(CO)=N1 C75215 [0,1,0,0,0,1|1,0,0]=3 461 B10R1.8 CC1=CC(C)=NC(CCl)=N1 36165 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.8 CC1=CC(C)=NC(CO)=N1 C75544 [0,1,0,0,0,1|1,0,0]=3 463 B10R1.8 CC1=CC(CBr)=NC(C)=C1 79215 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.8 CC1=CC(CCl)=CC(C)=N1 C15237 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.8 CC1=CC(CCl)=CC(C)=N1 O11086 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.8 CC1=CC(CN)=NC(C)=C1 D79197 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.8 CC1=CC(CO)=CC(C)=N1 24107 [0,1,0,0,0,1|1,0,0]=3 468 B10R1.8 CC1=CC(CO)=CC(Cl)=N1 57847 [0,1,0,0,0,1|1,0,0]=3 469 B10R1.8 CC1=CC(CO)=CC(N)=C1 35511 [0,1,0,0,0,1|1,0,0]=3 470 B10R1.8 CC1=CC(CO)=NC(C)=C1 F12065 [0,1,0,0,0,1|1,0,0]=3 471 B10R1.8 CC1=CC(CO)=NC(C)=N1 P20536 [0,1,0,0,0,1|1,0,0]=3 472 B10R1.8 CC1=CC(F)=CC(CN)=C1 D81546 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.8 CC1=NC(CCl)=NC(O)=C1 F19600 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.8 CCC1=CC(C)=CC(O)=C1 D84187 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.8 NC1=CC(CO)=CC(I)=C1 68577 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.8 O=C1C=C(CO)NC(=O)N1 C12677 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.8 OCC1=CC(Br)=CC(O)=C1 C14009 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.8 OCC1=CC(Br)=NC(Br)=C1 P10792 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.8 OCC1=CC(Cl)=CC(Cl)=N1 C76763 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.8 OCC1=CC(I)=CC(I)=C1 C75498 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.8 OCC1=NC(Cl)=NC(Cl)=C1 P20459 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.10 CCOC1=NC(C)=CN=C1 C75488 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.10 COCC1=CC=NC(Cl)=N1 C72174 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.10 COCC1=NC(N)=CC=N1 20330 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.30 CC1=C(CO)C=C(Cl)C=C1 70915 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.30 CC1=C(CO)C=C(I)C=C1 F20542 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.30 CC1=CC(CBr)=C(C)C=C1 CL9683 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.30 CC1=CC(CN)=C(F)C=C1 W18911 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.30 CC1=CC(CO)=C(Br)C=C1 78891 [0,1,0,0,0,1|1,0,0]=3 497 B10R1.30 CC1=CC(CO)=C(Br)C=N1 C73476 [0,1,0,0,0,1|1,0,0]=3 498 B10R1.30 CC1=CC(CO)=C(F)C=N1 P20626 [0,1,0,0,0,1|1,0,0]=3 499 B10R1.30 CC1=CC(CO)=C(O)C=C1 A11080 [0,1,0,0,0,1|1,0,0]=3 500 B10R1.30 CC1=CC=C(C)C(CO)=N1 C16468 [0,1,0,0,0,1|1,0,0]=3 501 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C12327 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.30 CC1=NC(CCl)=C(Cl)C=C1 D83946 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.30 CC1=NC(CO)=C(Br)C=C1 D72095 [0,1,0,0,0,1|1,0,0]=3 504 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.30 NC1=C(CO)N=C(Br)C=N1 51254 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.30 NC1=CC(CO)=C(Br)C=N1 AC1053 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.30 NC1=CC(CO)=C(Cl)C=C1 35510 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.30 NC1=CN=C(Br)C=C1CO P19795 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.30 OCC1=C(Br)C=CC(Br)=N1 AT15259 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.30 OCC1=C(Br)C=CC(Cl)=N1 24113 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.30 OCC1=C(Cl)C=CC(O)=C1 C76883 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.30 OCC1=C(F)C=CC(Br)=N1 79199 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.30 OCC1=CC(Br)=CN=C1O C71870 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.30 OCC1=CC(Br)=NC=C1Br 80204 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.30 OCC1=CC(Cl)=CN=C1Br C71878 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.30 OCC1=CC(Cl)=CN=C1Cl 55139 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,1,0,0,0,1|1,0,0]=3 519 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,1,0,0,0,1|1,0,0]=3 525 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,1,0,0,0,1|1,0,0]=3 526 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,1,0,0,0,1|1,0,0]=3 527 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,1,0,0,0,1|1,0,1]=4 528 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11263 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11474 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,1,0,0,0,1|2,0,0]=4 533 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [0,1,0,0,0,1|2,0,0]=4 534 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [0,1,0,0,0,1|2,0,0]=4 535 B10R1.172 CCC1=CC=CC(CO)=N1 26583 [0,1,0,0,0,1|1,0,0]=3 536 B10R1.172 CCC1=CC=NC(CC)=N1 31687 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.172 COC1=CC=CC(CCl)=N1 36534 [0,1,0,0,0,1|2,0,0]=4 538 B10R1.172 COC1=CN=CC(CN)=C1 38429 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.172 COC1=CN=CC(CN)=C1 Y14791 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.172 COC1=NC(CN)=CC=C1 Y11459 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.172 COC1=NC(CN)=CC=N1 P10949 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.172 COC1=NC(CN)=CC=N1 P16417 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.172 COC1=NC(CN)=NC=C1 P15840 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.172 COC1=NC(CO)=CC=N1 P12426 [0,1,0,0,0,1|1,0,0]=3 545 B10R1.172 COC1=NC=CC(CCl)=C1 82046 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.172 COC1=NC=CC(CN)=C1 36533 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.172 COC1=NC=CC(CN)=C1 Y13036 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.172 CSC1=NC(CN)=CC=N1 C72245 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.172 ClCC1=CC=CC(CCl)=N1 D78082 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.172 N#CC1=CC(CO)=CN=C1 O11305 [0,1,0,0,0,1|1,0,1]=4 551 B10R1.172 N#CC1=CC(CO)=NC=C1 FD10587 [0,1,0,0,0,1|1,0,1]=4 552 B10R1.172 N#CC1=CC=CC(CO)=N1 57474 [0,1,0,0,0,1|1,0,1]=4 553 B10R1.172 N#CC1=NC=CC(CO)=C1 F19687 [0,1,0,0,0,1|1,0,1]=4 554 B10R1.172 NCC1=CC=CC(CN)=N1 C11112 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.172 NCC1=CC=CC(CO)=N1 C15881 [0,1,0,0,0,1|1,0,0]=3 556 B10R1.172 NCC1=CC=CC(CO)=N1 C73446 [0,1,0,0,0,1|1,0,0]=3 557 B10R1.172 O=CC1=CC(CO)=CC=C1 N13346 [0,1,0,0,0,1|1,0,1]=4 558 B10R1.172 O=CC1=NC(CO)=CC=C1 78596 [0,1,0,0,0,1|1,0,1]=4 559 B10R1.172 OCC1=CC=CC(CBr)=C1 23785 [0,1,0,0,0,1|1,0,0]=3 560 B10R1.14 CC1=CC=C(C(=O)NN)O1 79439 [0,2,0,0,0,0|0,0,2]=4 561 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33601 [0,2,0,0,0,0|1,0,0]=3 562 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33602 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33622 [0,2,0,0,0,0|1,0,0]=3 564 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10462 [0,2,0,0,0,0|1,0,0]=3 565 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10471 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10537 [0,2,0,0,0,0|1,0,0]=3 567 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,2,0,0,0,0|1,0,1]=4 568 B10R1.14 O=C(CBr)C1=CC=C(Br)O1 C90418 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.16 CC1=CC=C(CCCN)S1 71973 [0,2,0,0,0,0|1,1,0]=4 570 B10R1.54 CC1=CC=C(CN(C)C)O1 T71781 [0,2,0,0,0,0|1,0,0]=3 571 B10R1.54 CC1=NN=C(CC(=O)O)O1 71814 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.54 O=C(O)CC1=CC=C(Br)S1 79437 [0,2,0,0,0,0|1,1,0]=4 573 B10R1.130 CC1=NN(CCO)C(N)=C1 W18915 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,2,0,0,0,0|0,1,1]=4 575 B10R1.31 COC1=CN=C(C(=O)O)O1 C75184 [0,2,0,0,0,0|1,0,1]=4 576 B10R1.31 N#CC1=CC=C(C(=O)O)O1 N12973 [0,2,0,0,0,0|0,0,2]=4 577 B10R1.34 CC1=C(Br)C(CO)=NN1C A11879 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,2,0,0,0,0|0,0,2]=4 579 B10R1.59 CC1=CC(Br)=C(C(=O)O)S1 D95614 [0,2,0,0,0,0|0,1,1]=4 580 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,2,0,0,0,0|1,0,1]=4 581 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 63233 [0,2,0,0,0,0|1,1,0]=4 582 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 36278 [0,2,0,0,0,0|0,1,1]=4 583 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 F30544 [0,2,0,0,0,0|1,0,1]=4 584 B10R1.55 CC1=CC=C(C(F)(F)F)O1 30354 [0,2,0,0,0,0|1,0,0]=3 585 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)O1 AT17332 [0,2,0,0,0,0|1,0,1]=4 586 B10R1.194 CC1=CC=C(C(=O)O)N1C D83409 [0,2,0,0,0,0|1,0,1]=4 587 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,1,1,0,0|2,0,0]=4