0 B7R1.4 BrC1=C(Br)CCC1 79351 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.4 CC1=CCOC1=O T72100 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.4 CC1CNCC1C P18713 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.4 CN1C=CNC1=O F12570 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.4 CN1CCN=C1N W16176 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 CN1CCNC1=O 81682 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,0,0,0|1,0,2]=3 9 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,0,0,0|1,0,2]=3 13 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.4 NC1CCCC1N F16273 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.4 NN1CCOC1=O S10190 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.4 N[C@H]1CCNC1=O 51276 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.4 N[C@H]1CCNC1=O 51277 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.4 N[C@H]1CCNC1=O 51278 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.4 N[C@H]1CCNC1=O F14678 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.4 N[C@H]1CCSC1=O O10218 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.4 N[C@H]1CONC1=O FD3007 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,0,0,0,0,0|3,0,1]=4 32 B6R1.2 C=C1CCNC1 F13598 [1,0,0,0,0,0|2,0,0]=3 33 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,0,0,0|2,0,1]=4 34 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,0,0,0|1,0,1]=3 35 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,0,0,0|2,0,1]=4 36 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,0,0,0|1,1,1]=4 37 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,0,0,0|2,0,1]=4 39 B6R1.2 IC1=COCC1 P19286 [1,0,0,0,0,0|1,1,1]=4 40 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,0,0,0|1,1,1]=4 41 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,0,0,0|1,1,1]=4 42 B6R1.2 NN1CCCC1 F13227 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 NN1CCCC1 S12058 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,0,0,0|1,0,1]=3 45 B6R1.2 O=C1C=CCN1 AC1277 [1,0,0,0,0,0|2,0,1]=4 46 B6R1.2 O=C1CNCN1 25530 [1,0,0,0,0,0|2,0,0]=3 47 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,0,0,0|0,0,2]=3 48 B8R1.11 CC1=C(C=O)N=CS1 F12255 [0,1,0,0,0,0|1,0,2]=4 49 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,0,0,0|1,0,2]=4 53 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,0,0,0|1,0,2]=4 54 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,0,0,0|1,0,2]=4 55 B8R1.11 N#C[C@H]1COCC1=O P13840 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.11 NCC1CCCC1N F20645 [0,1,0,0,0,0|2,0,1]=4 57 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,0,0,0|1,0,0]=2 58 B8R1.11 O=C1CCC=C1CO E70389 [0,1,0,0,0,0|1,0,1]=3 59 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,0,0,0|1,0,0]=2 60 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.18 CC1=C[C@@H](O)OC1=O C77517 [0,1,0,0,0,0|2,0,1]=4 62 B8R1.18 CC1=C[C@H](Cl)OC1=O F17135 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.18 C[C@@H]1SC(N)=NC1=O D85819 [0,1,0,0,0,0|1,0,1]=3 65 B8R1.18 O=C1NC(=O)[C@H](Br)S1 W10365 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,1,0,0,0,0|1,0,2]=4 67 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,1,0,0,0,0|1,0,2]=4 68 B8R1.19 CC1(C)CCNC1=O 79628 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.19 CC1(C)CCNC1=S W12656 [0,1,0,0,0,0|2,1,0]=4 70 B8R1.19 CC1(C)CONC1=O D73557 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.19 CC1(C)OCCC1=O P18857 [0,1,0,0,0,0|0,1,0]=2 72 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.50 CC1=C(Br)COC1=O W19136 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.50 CN1C(=O)CCC1=O D70368 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.50 CN1CCN(C)C1=O D77693 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.50 CN1CC[C@H](N)C1=O 51274 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.50 NN1C(=O)CCC1=O T70071 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,1,0,0,0|2,0,1]=4 80 B6R0.1 CCNC(=O)CO 79517 [0,0,1,0,0,0|3,0,0]=4 81 B6R0.1 CCO[C@@H](C)CO 91003 [0,0,1,0,0,0|0,1,2]=4 82 B6R0.1 CC[C@H](S)CCO D84734 [0,0,1,0,0,0|0,2,1]=4 83 B6R0.1 CNC(=O)CCN C75423 [0,0,1,0,0,0|2,0,0]=3 84 B6R0.1 CNC(=O)CCO AC6610 [0,0,1,0,0,0|1,1,0]=3 85 B6R0.1 CNC(=O)CCS A11187 [0,0,1,0,0,0|1,0,0]=2 86 B6R0.1 COC(=O)OCCl R10013 [0,0,1,0,0,0|3,0,0]=4 87 B6R0.1 NNC(=O)CCO C77491 [0,0,1,0,0,0|2,1,0]=4 88 B6R0.1 N[C@H](CS)CCS F52529 [0,0,1,0,0,0|2,0,1]=4 89 B6R0.3 C=C[C@H](C)C(=O)O T72590 [0,0,1,0,0,0|2,0,1]=4 90 B6R0.3 CC(C)C(=O)CCl D94573 [0,0,1,0,0,0|2,0,0]=3 91 B6R0.3 CCN(C)C(C)=O F19909 [0,0,1,0,0,0|2,0,0]=3 92 B6R0.3 CC[C@H](C)C(=O)O 88659 [0,0,1,0,0,0|2,0,0]=3 93 B6R0.3 CC[C@H](N)C(N)=O I10243 [0,0,1,0,0,0|3,0,0]=4 94 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,0,1,0,0,0|1,1,1]=4 95 B6R0.3 CN(C)C(=O)CN FD21613 [0,0,1,0,0,0|3,0,0]=4 96 B6R0.3 CNC(=O)[C@H](C)N C78177 [0,0,1,0,0,0|2,0,0]=3 97 B6R0.3 CNC(=O)[C@H](C)N C78349 [0,0,1,0,0,0|2,0,0]=3 98 B6R0.3 CNC(=O)[C@H](C)N FD21069 [0,0,1,0,0,0|2,0,0]=3 99 B6R0.3 COC(=O)N(C)C D93880 [0,0,1,0,0,0|3,0,0]=4 100 B6R0.3 C[C@@H](CN)C(=O)O F15101 [0,0,1,0,0,0|3,0,0]=4 101 B6R0.3 C[C@@H](CN)C(=O)O F15242 [0,0,1,0,0,0|3,0,0]=4 102 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [0,0,1,0,0,0|3,0,0]=4 103 B6R0.3 C[C@H](C#N)C(=O)O C75969 [0,0,1,0,0,0|3,0,0]=4 104 B6R0.3 C[C@H](ON)C(=O)O AT14512 [0,0,1,0,0,0|2,1,0]=4 105 B6R0.3 C[C@H](ON)C(=O)O Y13476 [0,0,1,0,0,0|2,1,0]=4 106 B6R0.3 O=C(CBr)C(Br)Br F16018 [0,0,1,0,0,0|3,0,0]=4 107 B6R0.6 CCOCCCBr A11082 [0,0,1,0,0,0|1,1,1]=4 108 B6R0.6 CCOCCON W15834 [0,0,1,0,0,0|2,1,0]=4 109 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,1,0,0|2,0,1]=4 110 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,1,0,0|1,0,0]=2 111 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.4 CC1NCC1F P20228 [0,0,0,0,1,0|2,0,1]=4 113 B6R1.4 CC1OCC1O P16543 [0,0,0,0,1,0|0,1,2]=4 114 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,0,1,0|0,1,0]=2 115 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,0,1,0|0,0,0]=1 116 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,0,1,0|1,0,0]=2 117 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [0,0,0,0,1,0|2,0,1]=4 118 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [0,0,0,0,1,0|1,0,2]=4 119 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [0,0,0,0,1,0|1,0,2]=4 120 B6R1.4 NC1CCC1F P20418 [0,0,0,0,1,0|2,0,1]=4 121 B6R1.4 NC1CCC1O 94999 [0,0,0,0,1,0|1,0,2]=4 122 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [0,0,0,0,1,0|1,0,2]=4 123 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,0,0,0,1,0|1,0,0]=2 124 B6R1.4 OC1CCC1O D79179 [0,0,0,0,1,0|1,0,2]=4 125 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [0,0,0,0,1,0|1,0,2]=4 126 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,0,0,0,1|1,0,2]=4 127 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,0,0,0,0,1|2,0,1]=4 128 B8R1.4 CC1CC(N)CCO1 D78849 [0,0,0,0,0,1|1,1,1]=4 129 B8R1.4 CC1CC(N)CCO1 P16002 [0,0,0,0,0,1|1,1,1]=4 130 B8R1.4 CC1CC(O)CCN1 33466 [0,0,0,0,0,1|1,0,2]=4 131 B8R1.4 CC1CC(O)CCN1 P17258 [0,0,0,0,0,1|1,0,2]=4 132 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,0,0,1|2,0,0]=3 133 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,0,0,0,0,1|2,0,1]=4 134 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,0,0,1|1,0,0]=2 135 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,0,0,1|1,0,0]=2 136 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,0,0,1|1,0,0]=2 137 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,0,0,1|0,1,0]=2 138 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,0,0,1|2,0,0]=3 139 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,0,0,1|2,0,0]=3 140 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,0,0,0,0,1|3,0,0]=4 141 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,0,0,0,0,1|3,0,0]=4 142 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,0,0,0,0,1|3,0,0]=4 143 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,0,0,0,0,1|3,0,0]=4 144 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,0,0,0,0,1|3,0,0]=4 145 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,0,0,0,1|2,0,0]=3 146 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,0,0,0,1|2,0,0]=3 147 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,0,0,0,1|2,0,0]=3 148 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,0,0,1|2,0,0]=3 149 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,0,0,0,0,1|3,0,0]=4 150 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,0,0,0,0,1|3,0,0]=4 151 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,0,0,0,0,1|3,0,0]=4 152 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,0,0,0,0,1|3,0,0]=4 153 B8R1.5 CC1=NCCN=C1C N13379 [0,0,0,0,0,1|2,0,1]=4 154 B8R1.5 CC1CCNCC1O 38882 [0,0,0,0,0,1|1,0,2]=4 155 B8R1.5 CC1CNCCC1O 20765 [0,0,0,0,0,1|1,0,2]=4 156 B8R1.5 CC1CNCCC1O 33365 [0,0,0,0,0,1|1,0,2]=4 157 B8R1.5 CC1COCCC1N 33469 [0,0,0,0,0,1|1,1,1]=4 158 B8R1.5 CC1NCCOC1C F12405 [0,0,0,0,0,1|1,1,1]=4 159 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,0,0,0,0,1|2,0,1]=4 160 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,0,0,0,0,1|2,0,1]=4 161 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,0,0,0,0,1|1,1,1]=4 162 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,0,0,0,0,1|0,1,0]=2 163 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,0,0,0,0,1|1,0,0]=2 164 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,0,0,0,0,1|2,0,1]=4 165 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,0,0,0,0,1|1,0,0]=2 166 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,0,0,0,0,1|1,0,2]=4 167 B8R1.5 C[C@H]1CNCCN1C 37822 [0,0,0,0,0,1|3,0,0]=4 168 B8R1.5 C[C@H]1CNCCN1C P11245 [0,0,0,0,0,1|3,0,0]=4 169 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,0,0,0,0,1|3,0,0]=4 170 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,0,0,0,0,1|1,0,2]=4 171 B8R1.5 C[C@H]1COCCC1=O 27832 [0,0,0,0,0,1|0,1,0]=2 172 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,0,0,0,0,1|1,1,1]=4 173 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,0,0,0,0,1|0,0,0]=1 174 B8R1.5 NN1CCCCC1=O C74639 [0,0,0,0,0,1|3,0,0]=4 175 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,0,0,0,0,1|2,0,0]=3 176 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,0,0,0,0,1|2,0,0]=3 177 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,0,0,0,0,1|2,0,0]=3 178 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,0,0,0,0,1|1,1,0]=3 179 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,0,0,0,0,1|2,0,0]=3 180 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,0,0,0,0,1|2,0,0]=3 181 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,0,0,0,0,1|2,0,0]=3 182 B5R0.1 CCC[C@H](C)N P14575 [1,0,1,0,0,0|1,0,1]=4 183 B5R0.1 CCC[C@H](C)N Y10887 [1,0,1,0,0,0|1,0,1]=4 184 B5R0.1 CNCC(=O)[O-] F20742 [1,0,1,0,0,0|2,0,0]=4 185 B5R0.2 C#CCCC=O 89357 [1,0,1,0,0,0|0,0,2]=4 186 B5R0.2 C=CCCNC W16107 [1,0,1,0,0,0|2,0,0]=4 187 B5R0.2 CCCCON 31644 [1,0,1,0,0,0|2,0,0]=4 188 B5R0.2 O=CCCCO 55817 [1,0,1,0,0,0|1,0,0]=3 189 B5R0.3 CCC(=O)CN S11993 [1,0,1,0,0,0|1,0,0]=3 190 B5R0.3 CC[C@H](C)CN 88665 [1,0,1,0,0,0|1,0,1]=4 191 B5R0.3 CC[PH](=O)CC C77650 [1,0,1,0,0,0|1,0,0]=3 192 B5R0.5 CC(=O)[C@H](C)N D76571 [1,0,1,0,0,0|1,0,0]=3 193 B5R0.5 CC(=S)N(C)C 76921 [1,0,1,0,0,0|1,1,0]=4 194 B5R0.5 C[C@H](N)C(N)=O 25148 [1,0,1,0,0,0|2,0,0]=4 195 B5R1.1 C1=CCSC1 F20684 [2,0,0,0,0,0|0,0,1]=3 196 B5R1.1 C1COCN1 A51210 [2,0,0,0,0,0|1,1,0]=4 197 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,1,1,0,0,0|2,0,0]=4 198 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,1,1,0,0,0|2,0,0]=4 199 B7R0.3 C#CCCC(=O)OC AT21755 [0,1,1,0,0,0|2,0,0]=4 200 B7R0.3 C=CCCC(=O)OC AT23749 [0,1,1,0,0,0|2,0,0]=4 201 B7R0.3 CCC(=O)OCCO A11774 [0,1,1,0,0,0|0,1,0]=3 202 B7R0.3 CNCCC(=O)OC AB11809 [0,1,1,0,0,0|2,0,0]=4 203 B7R0.3 COC(=O)CCCI F19766 [0,1,1,0,0,0|2,0,0]=4 204 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,1,1,0,0,0|2,0,0]=4 205 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,1,0,0,0|2,0,0]=4 206 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,1,1,0,0,0|2,0,0]=4 207 B7R0.7 C=C(CCBr)CCBr W15711 [0,1,1,0,0,0|2,0,0]=4 208 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,1,0,0,0|1,0,0]=3 209 B7R0.7 CCNC(=O)CNC A12930 [0,1,1,0,0,0|2,0,0]=4 210 B7R0.7 COCC(=O)COC 36699 [0,1,1,0,0,0|2,0,0]=4 211 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,1,0,0,0|2,0,0]=4 212 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,1,0,0,0|2,0,0]=4 213 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,1,1,0,0,0|1,1,0]=4 214 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,1,1,0,0,0|2,0,0]=4 215 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,1,1,0,0,0|2,0,0]=4 216 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,1,1,0,0,0|2,0,0]=4 217 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,1,1,0,0,0|2,0,0]=4 218 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,1,1,0,0,0|2,0,0]=4 219 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,1,0,0,0|1,1,0]=4 220 B7R0.11 CCS(=O)(=O)CCN AR2318 [0,1,1,0,0,0|2,0,0]=4 221 B7R0.12 CCN(CCO)N=O T71710 [0,1,1,0,0,0|1,1,0]=4 222 B7R0.13 CC(=O)C(C)(C)C#N Y10746 [0,1,1,0,0,0|2,0,0]=4 223 B7R0.13 CC(=O)C(C)(C)CO Y13534 [0,1,1,0,0,0|2,0,0]=4 224 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [0,1,1,0,0,0|2,0,0]=4 225 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [0,1,1,0,0,0|2,0,0]=4 226 B7R0.13 CC[C@](C)(O)C(=O)O D78565 [0,1,1,0,0,0|2,0,0]=4 227 B7R0.13 COC(C)(C)C(N)=O Y13489 [0,1,1,0,0,0|1,1,0]=4 228 B7R0.14 CC(C)(C)C(=O)CN F11054 [0,1,1,0,0,0|2,0,0]=4 229 B7R0.14 CC(C)(C)C(=O)CO F50563 [0,1,1,0,0,0|2,0,0]=4 230 B7R0.15 CC[C@H](NC)C(=O)O W18322 [0,1,1,0,0,0|2,0,0]=4 231 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [0,1,1,0,0,0|1,1,0]=4 232 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [0,1,1,0,0,0|2,0,0]=4 233 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,1,1,0,0,0|2,0,0]=4 234 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,1,1,0,0,0|2,0,0]=4 235 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,1,1,0,0,0|2,0,0]=4 236 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,1,1,0,0,0|2,0,0]=4 237 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,1,1,0,0,0|2,0,0]=4 238 B7R0.1 C=CCCCCNC R10008 [0,1,1,0,0,0|2,0,0]=4 239 B7R0.1 COCOCCC=O 32199 [0,1,1,0,0,0|0,1,0]=3 240 B7R0.4 CC(=O)CCCCBr O11558 [0,1,1,0,0,0|2,0,0]=4 241 B7R0.4 CCCOCC(=O)O AC1647 [0,1,1,0,0,0|2,0,0]=4 242 B7R0.4 CCNCCC(N)=O AT24732 [0,1,1,0,0,0|1,0,0]=3 243 B7R0.4 CNCCCC(N)=O 21232 [0,1,1,0,0,0|2,0,0]=4 244 B7R0.4 COCCCC(=O)O 78063 [0,1,1,0,0,0|2,0,0]=4 245 B7R1.1 BrCC1=CCCC1 37275 [1,1,0,0,0,0|1,0,1]=4 246 B7R1.1 CC[C@H]1CCCN1 F16886 [1,1,0,0,0,0|1,0,1]=4 247 B7R1.1 COC1=CCCC1 D93350 [1,1,0,0,0,0|1,0,1]=4 248 B7R1.1 FC[C@H]1CCCN1 37688 [1,1,0,0,0,0|1,0,1]=4 249 B7R1.1 FC[C@H]1CCCN1 P11073 [1,1,0,0,0,0|1,0,1]=4 250 B7R1.1 NCC1CCCC1 P10292 [1,1,0,0,0,0|1,0,1]=4 251 B7R1.1 NC[C@H]1CCCN1 83159 [1,1,0,0,0,0|1,0,1]=4 252 B7R1.1 NC[C@H]1CCCO1 83007 [1,1,0,0,0,0|0,1,1]=4 253 B7R1.1 NC[C@H]1CCCO1 S11127 [1,1,0,0,0,0|0,1,1]=4 254 B7R1.1 O=CC1=CCCC1 26227 [1,1,0,0,0,0|1,0,1]=4 255 B7R1.1 OC[C@H]1CCCO1 66575 [1,1,0,0,0,0|0,1,1]=4 256 B7R1.2 C=C1CCC(=O)O1 T71516 [1,1,0,0,0,0|2,0,0]=4 257 B7R1.2 CN1CCC(=O)C1 64220 [1,1,0,0,0,0|1,0,0]=3 258 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,1,0,0,0,0|2,0,0]=4 259 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [1,1,0,0,0,0|1,0,1]=4 260 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,1,0,0,0,0|2,0,0]=4 261 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,1,0,0,0,0|2,0,0]=4 262 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [1,1,0,0,0,0|1,0,1]=4 263 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [1,1,0,0,0,0|1,0,1]=4 264 B7R1.2 NC1=CC(=O)CC1 90005 [1,1,0,0,0,0|1,0,1]=4 265 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,1,0,0,0,0|2,0,0]=4 266 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,1,0,0,0,0|2,0,0]=4 267 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,1,0,0,0,0|2,0,0]=4 268 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,1,0,0,0,0|2,0,0]=4 269 B7R1.2 O=C1C=C(Br)CC1 W19329 [1,1,0,0,0,0|1,0,1]=4 270 B7R1.2 O=C1C=C(I)CC1 A12694 [1,1,0,0,0,0|1,0,1]=4 271 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,1,0,0,0,0|1,0,0]=3 272 B7R1.2 O=C1CNC(=O)C1 76756 [1,1,0,0,0,0|1,0,1]=4 273 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,1,0,0,0,0|2,0,0]=4 274 B7R1.14 CC1(Br)CCCC1 P19649 [1,1,0,0,0,0|1,0,1]=4 275 B7R1.14 CC1(C)CCCN1 71736 [1,1,0,0,0,0|1,0,1]=4 276 B7R1.14 CC1(C)CCCN1 71895 [1,1,0,0,0,0|1,0,1]=4 277 B7R1.14 CC1(N)CCCC1 90423 [1,1,0,0,0,0|1,0,1]=4 278 B7R1.8 CN1CC[C@@H]1CN P15857 [0,1,0,0,1,0|2,0,0]=4 279 B7R1.8 CN1CC[C@@H]1CO 63438 [0,1,0,0,1,0|2,0,0]=4 280 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,1,0,0,1,0|2,0,0]=4 281 B7R1.8 CN1CC[C@@H]1CO P18351 [0,1,0,0,1,0|2,0,0]=4 282 B7R1.8 CO[C@H]1CCC1=O P17941 [0,1,0,0,1,0|0,0,0]=2 283 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,1,0,0,1,0|0,0,0]=2 284 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [0,1,0,0,1,0|1,0,1]=4 285 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,1,0,0,0,1|1,0,1]=4 286 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,0,0,1|0,1,0]=3 287 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [0,1,0,0,0,1|2,0,0]=4 288 B9R1.2 CSC1=NC(=O)CCN1 AC1460 [0,1,0,0,0,1|1,0,1]=4 289 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,1,0,0,0,1|1,0,1]=4 290 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,1,0,0,0,1|2,0,0]=4 291 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,1,0,0,0,1|2,0,0]=4 292 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,0,0,1|1,0,0]=3 293 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,0,0,1|1,0,0]=3 294 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,1,0,0,0,1|2,0,0]=4 295 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,0,0,1|2,0,0]=4 296 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,1,0,0,0,1|1,0,0]=3 297 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,1,0,0,0,1|0,1,0]=3 298 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,1,0,0,0,1|1,0,0]=3 299 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,1,0,0,0,1|2,0,0]=4 300 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,0,0,1|1,0,0]=3 301 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,0,0,1|1,0,0]=3 302 B9R1.15 CCN1CCNCC1=O W18927 [0,1,0,0,0,1|2,0,0]=4 303 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,0,0,1|1,0,0]=3 304 B9R1.15 CO[C@H]1CCCNC1=O O11031 [0,1,0,0,0,1|1,0,0]=3 305 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,1,0,0,0,1|0,1,0]=3 306 B9R1.15 N#C[C@H]1CCNCC1=O 58518 [0,1,0,0,0,1|1,0,1]=4 307 B9R1.40 CC1(C)CCCNC1=O P19113 [0,1,0,0,0,1|1,0,0]=3 308 B9R1.40 CC1(C)CCCOC1=O 60202 [0,1,0,0,0,1|1,0,0]=3 309 B9R1.40 CC1(C)COCCC1=O P12769 [0,1,0,0,0,1|0,1,0]=3 310 B9R1.40 O=C1CCNCC1(F)F 38880 [0,1,0,0,0,1|2,0,0]=4 311 B9R1.40 O=C1CCNCC1(F)F P12504 [0,1,0,0,0,1|2,0,0]=4 312 B9R1.40 O=C1NCCCC1(F)F 50284 [0,1,0,0,0,1|2,0,0]=4 313 B9R1.33 O=C1CCCN1CCBr C77640 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.41 CC1=C(C(=O)O)CCO1 W15901 [0,2,0,0,0,0|0,1,1]=4 315 B9R1.132 CCN1OC[C@H](N)C1=O W15638 [0,2,0,0,0,0|1,1,0]=4 316 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.132 CN1CC[C@H](CO)C1=O N12775 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.23 CN1C[C@@H](C#N)CC1=O 32280 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.23 CN1C[C@@H](CI)CC1=O P20724 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.23 CN1C[C@@H](CN)CC1=O P10769 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.37 CN1C(=O)C[C@H](N)C1=O P17111 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.37 C[C@H]1C(=O)CC(=O)N1C 79650 [0,2,0,0,0,0|1,0,1]=4 325 B9R1.106 CC1(C)C(=O)CCC1=O C74976 [0,2,0,0,0,0|1,0,0]=3 326 B9R1.106 CC1(C)C(=O)NC[C@@H]1N P14863 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.106 O=C1CCC(=O)C1(F)F AC3221 [0,2,0,0,0,0|2,0,0]=4 328 B7R1.3 C=C1CCNCC1 88914 [0,0,1,1,0,0|2,0,0]=4 329 B7R1.3 C=C1CCOCC1 84295 [0,0,1,1,0,0|1,1,0]=4 330 B7R1.3 O=C1CCCCS1 D95162 [0,0,1,1,0,0|2,0,0]=4 331 B7R1.22 CNC(=O)C1CC1 F14269 [0,0,1,1,0,0|2,0,0]=4 332 B7R1.22 O=C(CO)C1CC1 E72699 [0,0,1,1,0,0|2,0,0]=4 333 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,0,1,1,0,0|2,0,0]=4 334 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,0,1,1,0,0|2,0,0]=4 335 B7R1.18 CC(=O)C1COC1 79962 [0,0,1,1,0,0|2,0,0]=4 336 B7R1.18 NC(=O)C1CCC1 20365 [0,0,1,1,0,0|2,0,0]=4 337 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [0,0,1,1,0,0|2,0,0]=4 338 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [0,0,1,1,0,0|2,0,0]=4 339 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,0,1,1,0,0|1,1,0]=4 340 B7R1.19 CC(=O)C1(Cl)CC1 D86180 [0,0,1,1,0,0|2,0,0]=4 341 B7R2.11 C1NC2CC1C2 37897 [1,0,0,1,0,0|1,0,1]=4 342 B7R2.13 C1CC2CC2N1 33368 [1,0,0,1,0,0|1,0,1]=4 343 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,1,0,1|1,0,0]=3 344 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,1,0,1|1,0,0]=3 345 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,1,0,1|1,0,0]=3 346 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,1,0,1|1,0,0]=3 347 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,0,0,1,0,1|2,0,0]=4 348 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,1,0,1|1,0,0]=3 349 B9R2.5 O=C1CCCC12CC2 F51719 [0,1,0,1,0,0|1,0,0]=3 350 B9R2.5 O=C1NCCC12CC2 33676 [0,1,0,1,0,0|2,0,0]=4 351 B5R1.2 C=C1COC1 P17999 [1,0,0,0,1,0|1,1,0]=4 352 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,0,1,0|1,0,0]=3 353 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,0,1,0|1,0,0]=3 354 B5R1.2 ClC1CCC1 T70092 [1,0,0,0,1,0|1,0,1]=4 355 B5R1.2 IC1CCC1 P17114 [1,0,0,0,1,0|1,0,1]=4 356 B5R1.2 NC1CSC1 39038 [1,0,0,0,1,0|1,0,1]=4 357 B5R1.4 CC1CC1N 72192 [0,0,0,0,2,0|1,0,1]=4 358 B5R1.4 CC1CC1N 72742 [0,0,0,0,2,0|1,0,1]=4 359 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,0,0,0,0,2|1,0,0]=3 360 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,0,0,2|1,0,0]=3 361 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,0,0,0,0,2|2,0,0]=4 362 B9R1.5 CN1CCCNCC1=O 37932 [0,0,0,0,0,2|2,0,0]=4 363 B9R1.5 CN1CCCNCC1=O Y10016 [0,0,0,0,0,2|2,0,0]=4 364 B9R1.5 CN1CCNCCC1=O Y10618 [0,0,0,0,0,2|2,0,0]=4 365 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,0,0,0,0,2|1,0,0]=3 366 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,0,0,0,0,2|1,0,0]=3 367 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,0,0,0,0,2|1,0,0]=3 368 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,0,0,0,0,2|2,0,0]=4 369 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,0,0,0,0,2|2,0,0]=4 370 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,0,0,0,0,2|2,0,0]=4