0 B6R0.6 BrCCCCCBr AK134932 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 BrCCNCCBr AK-72773 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C(CCO)CCBr AK-72934 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 CCCNCCO AK-60790 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.6 C\C=C\CCCO AK-46431 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 ClCCNCCCl AK-44109 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 ClCCOCCO AK114565 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 FCCCCCBr AK-48229 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 O=CCCCCO AK-40206 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.6 OCCCCNC AK112657 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.2 C(CCN)CN AK-46742 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 C=CCCCO AK325629 [1,0,0,0,0,0|0,0,2]=3 12 B5R0.2 CNOCCN AK155896 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.2 ClCCCCBr AK105174 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 ICCCCCl AK116716 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 ICCCCI AK112667 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 NCCCCBr AK-51681 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 NOCCCC AK-85835 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 OCCCCN AK-58038 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.2 OCCCNC AK112615 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.1 BrCCNCCCN AK-32244 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.1 C(CCCBr)CCBr AK-48407 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.1 C(CCCCC#C)O AK-30082 [0,1,0,0,0,0|0,0,3]=4 23 B7R0.1 COCCOCCN AK-67670 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.1 ICCCCCCI AK165087 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.1 NCCCCCCN AK129024 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.1 NCCCNCCO AK-50569 [0,1,0,0,0,0|1,0,1]=3 27 B7R0.1 NCCSSCCN AK-47593 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.1 NCC[Se][Se]CCN AK327611 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.1 OCCCCCCBr AK110830 [0,1,0,0,0,0|0,0,2]=3 30 B7R0.1 OCCCCCCCl AK-47999 [0,1,0,0,0,0|0,0,2]=3 31 B7R0.1 OCCCCCCN AK-84482 [0,1,0,0,0,0|0,0,2]=3 32 B7R0.3 CCCCC(O)CO AK161793 [0,1,0,0,0,0|0,0,2]=3 33 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.3 O=C(OC)CCCBr AK-94853 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.4 CC(O)CNCCO AK142435 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.4 CCCCCB(O)O AK-46118 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.4 O=C(O)\C=C\OCC AK-46090 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.7 CCOC(=O)CCBr AK-76993 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.7 CCOC(=O)CCO AK-41251 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.7 O=C(NCC)NCC AK116700 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.7 O=C(OCC)CCN AK-49791 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.7 O=C(OCC)CNC AK-44190 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.7 O=C(OCC)CNN AK-50556 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.7 O=C(OCC)OCCl AK128867 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.1 BrCC1CCCC1 AK-88361 [0,0,0,1,0,0|1,0,2]=4 47 B7R1.1 BrCC1CCOC1 AK-51697 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.1 BrCC1OCCO1 AK110803 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.1 C(C1CCCC1)O AK-46653 [0,0,0,1,0,0|0,0,2]=3 50 B7R1.1 C1=CC=N[N]1CO AK-21910 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.1 CCC1=CC=CS1 AK-76635 [0,0,0,1,0,0|0,1,2]=4 52 B7R1.1 CCC1=NN=CO1 AK-50871 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.1 COC1=NCCC1 AK-49858 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.1 CSC1=NCCS1 AK-33966 [0,0,0,1,0,0|2,1,0]=4 56 B7R1.1 ClCC1=CN=CO1 AK143331 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.1 ClCC1=NCCN1 AK-48901 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.1 NCC1=CN=CO1 AK-25086 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.1 NCC1CCCC1 AK-27938 [0,0,0,1,0,0|1,0,2]=4 60 B7R1.1 NCC1CCOC1 AK-33831 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.1 NCC1COCC1 AK-50648 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.1 NCC1NCCC1 AK-26146 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.1 OCC1=CC=CS1 AK-93468 [0,0,0,1,0,0|1,0,2]=4 66 B7R1.1 OCC1=CC=NO1 AK-68490 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.1 OCC1=CN=CO1 AK-25343 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.1 OCC1=COC=C1 AK-46116 [0,0,0,1,0,0|1,0,2]=4 69 B7R1.1 OCC1=CSC=C1 AK-36199 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.1 OCC1=NOC=C1 AK-25087 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 OCC1CC=CC1 AK-48070 [0,0,0,1,0,0|0,0,2]=3 72 B7R1.1 OCC1CCCN1 AK-40306 [0,0,0,1,0,0|1,0,1]=3 73 B7R1.1 OCC1CNCC1 AK-26048 [0,0,0,1,0,0|1,0,1]=3 74 B7R1.1 OCC1CNCC1 AK-38963 [0,0,0,1,0,0|1,0,1]=3 75 B7R1.1 OCC1CNCC1 AK105115 [0,0,0,1,0,0|1,0,1]=3 76 B7R1.1 OCC1COCC1 AK-51698 [0,0,0,1,0,0|1,0,1]=3 77 B7R1.1 OCC1OCCC1 AK106959 [0,0,0,1,0,0|1,0,1]=3 78 B7R1.1 OCC1OCCO1 AK159792 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.1 OCC1OCOC1 AK112875 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [0,0,0,1,0,0|1,0,1]=3 81 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,0,0,1,0,0|1,0,1]=3 82 B7R1.1 OC[C@H]1CNCC1 AK-32836 [0,0,0,1,0,0|1,0,1]=3 83 B7R1.1 OC[C@H]1CNCC1 AK108367 [0,0,0,1,0,0|1,0,1]=3 84 B7R1.1 OC[C@H]1COCC1 AK129134 [0,0,0,1,0,0|1,0,1]=3 85 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,0,0,1,0,0|1,0,1]=3 86 B7R1.3 BrC1CCCCC1 AK-77686 [0,0,0,1,0,0|1,0,2]=4 87 B7R1.3 BrC1CCNCC1 AK-47522 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.3 BrC1CCOCC1 AK-29943 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.3 C1C(CCOC1)N AK-25779 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.3 C1CC(CCO1)O AK-25581 [0,0,0,1,0,0|1,0,1]=3 91 B7R1.3 CC1CNCCO1 AK100672 [0,0,0,1,0,0|1,0,1]=3 92 B7R1.3 CC1NCCOC1 AK-35119 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,0,0,1,0,0|1,0,1]=3 95 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,0,0,1,0,0|1,0,1]=3 99 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.3 ClC1CCNCC1 AK-26089 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.3 IC1CCOCC1 AK-29944 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.3 NC1CCSCC1 AK-77885 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.3 NC1CNCCC1 AK-33202 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.3 O1CCCC(C1)O AK-32117 [0,0,0,1,0,0|1,0,1]=3 114 B7R1.3 O=C1NCCC=C1 AK110027 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.3 OC1CCNCC1 AK-46522 [0,0,0,1,0,0|1,0,1]=3 116 B7R1.3 OC1CCNCC1 AK-80456 [0,0,0,1,0,0|1,0,1]=3 117 B7R1.3 OC1COCOC1 AK-85976 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,0,0,1,0,0|1,0,1]=3 119 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,0,0,1,0,0|1,0,1]=3 120 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,0,0,1,0,0|1,0,2]=4 122 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.4 OC1C(N)CCC1 AK-50447 [0,0,0,1,0,0|1,0,2]=4 125 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,0,0,1,0,0|1,0,2]=4 130 B7R1.6 OCCN1CCC1 AK116274 [0,0,0,1,0,0|1,0,1]=3 131 B7R1.24 C1CNCCNC1 AK-29321 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.24 O1CCNCCC1 AK-81388 [0,0,0,1,0,0|1,0,1]=3 133 B4R0.2 BrCCNC AK153488 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.2 C(Br)CCN AK-73071 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.2 C=CCCN AK165308 [2,0,0,0,0,0|1,0,0]=3 136 B4R0.2 C=CC[Pd]Cl AK327212 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.2 ClCCNC AK123132 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 ICCCI AK126057 [2,0,0,0,0,0|2,0,0]=4 139 B4R0.2 NCCCCl AK164441 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.2 NNCCC AK-76893 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.2 NNCCO AK-41264 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.2 NOCC=C AK208821 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.2 OCCCBr AK-77055 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.1 C#C\C(C)=C/CO AK116959 [1,1,0,0,0,0|0,0,2]=4 145 B6R0.1 C=CC[C@@H](N)CO AK684514 [1,1,0,0,0,0|0,0,2]=4 146 B6R0.1 CCC[C@H](N)CO AK-81386 [1,1,0,0,0,0|0,0,1]=3 147 B6R0.1 O=C(NCC)CN AK-65785 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.1 O=C(OC)CCBr AK-91613 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.1 O=C(OC)CCN AK-46776 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.1 O=C(OC)CCO AK-83355 [1,1,0,0,0,0|1,0,0]=3 151 B6R0.1 O=C(OC)OCC AK397345 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.1 O=C(OCC)CO AK-98662 [1,1,0,0,0,0|1,0,0]=3 153 B6R0.1 OCC(O)CNC AK-68394 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.4 CC(C)NCCCl AK110294 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.4 CC(C)OCCBr AK110255 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.4 CC(CCCCl)=O AK-48368 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.4 CC(OCCBr)=O AK165045 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.4 CCCCB(O)O AK-44016 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.4 O=C(N)NCCO AK121931 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.1 C#CCCC(CCO)=O AK544192 [0,2,0,0,0,0|0,0,2]=4 161 B8R0.1 CCOC(=O)CCCI AK102411 [0,2,0,0,0,0|1,0,1]=4 162 B8R0.1 CCOC(=O)CCCN AK-47111 [0,2,0,0,0,0|1,0,1]=4 163 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,2,0,0,0,0|1,0,1]=4 164 B8R0.4 C(CCCCO)CCBr AK-41195 [0,2,0,0,0,0|0,0,2]=4 165 B8R0.4 OCCCCCCC#C AK-48557 [0,2,0,0,0,0|0,0,2]=4 166 B8R0.4 OCCCCCCCO AK-44723 [0,2,0,0,0,0|0,0,2]=4 167 B8R0.4 OCCCNCCCO AK-33226 [0,2,0,0,0,0|0,0,2]=4 168 B8R0.6 C=CC(O)CCCCC AK164470 [0,2,0,0,0,0|0,0,2]=4 169 B8R0.6 O=C(OC)CCCOC AK151485 [0,2,0,0,0,0|1,0,1]=4 170 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,2,0,0,0,0|0,0,2]=4 171 B8R0.7 CC(O)CCCCCC AK113715 [0,2,0,0,0,0|0,0,2]=4 172 B8R0.7 C[C@@H](O)CCCCCC AK115983 [0,2,0,0,0,0|0,0,2]=4 173 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.3 CCOC(=O)C(N)CO AK-81620 [0,2,0,0,0,0|1,0,0]=3 176 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [0,2,0,0,0,0|1,0,0]=3 177 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [0,2,0,0,0,0|2,0,0]=4 178 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [0,2,0,0,0,0|1,1,0]=4 179 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [0,2,0,0,0,0|1,0,0]=3 180 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,2,0,0,0,0|1,0,1]=4 181 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,2,0,0,0,0|0,0,1]=3 182 B8R0.11 OCCCN(CC)CC AK163232 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,2,0,0,0,0|1,0,0]=3 185 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,2,0,0,0,0|1,0,0]=3 186 B6R1.1 C1CC=CCN1 AK-91689 [1,0,0,1,0,0|1,0,0]=3 187 B6R1.1 C1CCNNC1 AK-81490 [1,0,0,1,0,0|2,0,0]=4 188 B6R1.1 C1CSCCN1 AK110355 [1,0,0,1,0,0|1,1,0]=4 189 B6R1.1 N1CCOCC1 AK116221 [1,0,0,1,0,0|1,0,0]=3 190 B6R1.1 O1CNCCC1 AK-82623 [1,0,0,1,0,0|1,0,1]=4 191 B6R1.1 O1NCCCC1 AK156568 [1,0,0,1,0,0|1,0,1]=4 192 B6R1.1 [NH2+]1CCCCC1 AK-41004 [1,0,0,1,0,0|1,0,1]=4 193 B6R1.1 [NH2+]1CCCCC1 AK-97257 [1,0,0,1,0,0|1,0,1]=4 194 B6R1.2 C1C(COC1)O AK-46125 [1,0,0,1,0,0|1,0,0]=3 195 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,1,0,0|1,0,1]=4 196 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,1,0,0|1,0,1]=4 197 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,1,0,0|1,0,1]=4 198 B6R1.2 FC1CNCC1 AK-38962 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.2 F[C@@H]1CCNC1 AK-30244 [1,0,0,1,0,0|2,0,0]=4 200 B6R1.2 F[C@H]1CCNC1 AK-32303 [1,0,0,1,0,0|2,0,0]=4 201 B6R1.2 IC1COCC1 AK162325 [1,0,0,1,0,0|2,0,0]=4 202 B6R1.2 I[C@H]1COCC1 AK170642 [1,0,0,1,0,0|2,0,0]=4 203 B6R1.2 N1CCC(O)C1 AK-27184 [1,0,0,1,0,0|1,0,0]=3 204 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.2 NC1CC=CC1 AK-44792 [1,0,0,1,0,0|1,0,0]=3 206 B6R1.2 NC1CNCC1 AK-24781 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.2 NC1COCC1 AK-25569 [1,0,0,1,0,0|2,0,0]=4 208 B6R1.2 N[C@@H]1CNCC1 AK-46300 [1,0,0,1,0,0|2,0,0]=4 209 B6R1.2 N[C@@H]1COCC1 AK-32266 [1,0,0,1,0,0|2,0,0]=4 210 B6R1.2 N[C@H]1CNCC1 AK-47751 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.2 N[C@H]1CNCC1 AK-80471 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.2 O1CC[C@H](C1)N AK-32944 [1,0,0,1,0,0|2,0,0]=4 213 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,1,0,0|1,0,1]=4 214 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,1,0,0|2,0,0]=4 215 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.2 OC1CNCC1 AK-53403 [1,0,0,1,0,0|1,0,0]=3 217 B6R1.2 OC1CNCC1 AK134933 [1,0,0,1,0,0|1,0,0]=3 218 B6R1.2 O[C@@H]1CCNC1 AK-32737 [1,0,0,1,0,0|1,0,0]=3 219 B6R1.2 O[C@@H]1CCOC1 AK-36591 [1,0,0,1,0,0|1,0,0]=3 220 B6R1.2 O[C@@H]1CNCC1 AK-32613 [1,0,0,1,0,0|1,0,0]=3 221 B6R1.2 O[C@@H]1CNCC1 AK-33013 [1,0,0,1,0,0|1,0,0]=3 222 B6R1.2 O[C@H]1CCOC1 AK-36590 [1,0,0,1,0,0|1,0,0]=3 223 B6R1.2 O[C@H]1CNCC1 AK-25701 [1,0,0,1,0,0|1,0,0]=3 224 B6R1.3 NCCC1CC1 AK-88169 [1,0,0,1,0,0|1,0,1]=4 225 B6R1.3 OCCN1CC1 AK-85970 [1,0,0,1,0,0|1,0,0]=3 226 B6R1.6 N1CC(C1)CO AK-38948 [1,0,0,1,0,0|1,0,1]=4 227 B6R1.6 NCC1CCC1 AK-40089 [1,0,0,1,0,0|1,0,1]=4 228 B6R1.6 OCC1CCO1 AK-64713 [1,0,0,1,0,0|1,0,0]=3 229 B6R1.6 OCC1COC1 AK-43870 [1,0,0,1,0,0|1,0,1]=4 230 B6R1.6 OC[C@H]1NCC1 AK-59466 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.2 C(C1CCOCC1)O AK-25438 [0,1,0,1,0,0|0,0,2]=4 232 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.2 COC1CCNCC1 AK-86244 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.2 N#CC1=CCCCO1 AK-78862 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [0,1,0,1,0,0|0,0,2]=4 236 B8R1.2 NCC1OCCOC1 AK143280 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.2 NC[C@@H]1OCCOC1 AK171793 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.2 NC[C@H]1OCCOC1 AK171792 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.2 OCC1CCC=CC1 AK-63968 [0,1,0,1,0,0|0,0,0]=2 240 B8R1.2 OCC1CCCCC1 AK-47687 [0,1,0,1,0,0|0,0,2]=4 241 B8R1.2 OCC1CNCCC1 AK-26981 [0,1,0,1,0,0|0,0,2]=4 242 B8R1.2 OCC1CNCCO1 AK-30231 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.2 OCC1NCCCC1 AK-47618 [0,1,0,1,0,0|0,0,2]=4 244 B8R1.2 OCC1NCCNC1 AK-42128 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [0,1,0,1,0,0|0,0,2]=4 246 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,1,0,1,0,0|0,0,2]=4 249 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.2 OC[C@H]1COCCN1 AK-59902 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,1,0,1,0,0|0,0,2]=4 255 B8R1.2 ONC1CCCCC1 AK113259 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.2 ONC1CCCCC1 AK118974 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,1,0,1,0,0|0,0,2]=4 258 B8R1.5 CC1CNCCC1O AK-34735 [0,1,0,1,0,0|0,0,2]=4 259 B8R1.5 CC1CNCCC1O AK-77366 [0,1,0,1,0,0|0,0,2]=4 260 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,1,0,1,0,0|0,0,2]=4 263 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.5 OC1C(N)CCCC1 AK116055 [0,1,0,1,0,0|0,0,2]=4 265 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,1,0,1,0,0|0,0,2]=4 266 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,1,0,1,0,0|0,0,2]=4 268 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,1,0,1,0,0|0,0,2]=4 269 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,1,0,1,0,0|0,0,2]=4 270 B8R1.8 C(C1OCCO1)CBr AK-46571 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.8 COC[C@H]1NCCC1 AK-81364 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.8 OCCC1=CC=CS1 AK-43981 [0,1,0,1,0,0|0,0,2]=4 273 B8R1.8 OCCC1=CN=CN1 AK144733 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.8 OCCC1=CSC=C1 AK-68259 [0,1,0,1,0,0|0,0,2]=4 275 B8R1.8 OCCN1C=CN=C1 AK-63425 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.8 OCC[C@H]1CNCC1 AK192539 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.8 [NH]1C=C(C=N1)CCO AK-33792 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.11 C[C@H]1CNC[C@@H]1CO AK-43373 [0,1,0,1,0,0|0,0,2]=4 280 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,1,0,1,0,0|0,0,1]=3 282 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.11 OCC1=CC=NN1C AK-65816 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.11 OCC1=NC=CN1C AK-23555 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.11 OCC1N(C)CCC1 AK-25839 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [0,1,0,1,0,0|0,0,2]=4 287 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.22 O=C1NCCNCC1 AK-25582 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.22 O=C1NCCOCC1 AK158455 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.22 O=C1OCCCCC1 AK164169 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.49 C/1=C/CC\C=C/CC1 AK-32988 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.49 C/1=C/CC\C=C/CC1 AK109339 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.49 C/1=C/CC\C=C/CC1 AK112792 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.49 C/1=C/CC\C=C/CC1 AK114035 [0,1,0,1,0,0|1,0,0]=3 296 B8R1.1 NC1=NOC(CC)=C1 AK173167 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.1 OCC1=CC=C(C)O1 AK135169 [0,1,0,1,0,0|0,0,2]=4 301 B8R1.1 OCC1=NN(C)C=C1 AK139734 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.1 OC[C@@H]1NC[C@H](O)C1 AK516296 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.1 O[C@@H]1CO[C@H](CO)C1 AK131139 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.1 O[C@H]1CN[C@H](CO)C1 AK158520 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,1,0,1,0,0|0,0,2]=4 308 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,1,0,1,0,0|0,0,2]=4 312 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.3 O=C1COC(O)C=C1 AK-82130 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,1,0,1,0,0|0,0,1]=3 319 B8R1.3 OC1CCC(O)CC1 AK114734 [0,1,0,1,0,0|0,0,2]=4 320 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,1,0,1,0,0|1,0,1]=4 321 B8R1.3 OC1CCN(N)CC1 AK116503 [0,1,0,1,0,0|1,0,1]=4 322 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,1,0,1,0,0|0,0,2]=4 323 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,1,0,1,0,0|0,0,2]=4 324 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,1,0,1,0,0|0,0,2]=4 325 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.4 NC1CCCC(C1)O AK-36106 [0,1,0,1,0,0|0,0,2]=4 328 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,1,0,1,0,0|0,0,2]=4 334 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,1,0,1,0,0|0,0,2]=4 335 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.72 CC1(C)CNCCO1 AK113050 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.72 CC1(C)CNCCO1 AK128847 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.72 CC1(CCOCC1)O AK-31507 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.72 OC1(C)CCCCC1 AK161821 [0,1,0,1,0,0|0,0,2]=4 341 B8R1.72 OC1(C)CCNCC1 AK-79153 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.72 OC1(O)CCNCC1 AK109336 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [0,1,0,1,0,0|1,0,1]=4 344 B8R2.34 C12CC(CO1)NC2 AK-64970 [0,0,0,2,0,0|1,0,1]=4 345 B8R2.34 [C@H]12CN[C@H](CO1)C2 AK-34642 [0,0,0,2,0,0|1,0,1]=4