0 B7R0.10 BrCC(Br)C(Br)CBr MCULE-4342639702 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.10 BrC[C@H](Br)[C@H](Br)CBr MCULE-9743935577 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.10 C=CC(O)C(O)C=C MCULE-2505322919 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.10 CC(CCl)C(C)CCl MCULE-1834137730 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.10 CC(CN)C(N)CO MCULE-1520376315 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.10 CC(CN)[C@H](N)CO MCULE-9250442888 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.10 CCC(C)C(C)CC MCULE-8164178184 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.10 CCC(C)C(N)CO MCULE-3990781918 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.10 CCC(C)C(N)CO MCULE-9261445768 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.10 CCC(C)C(O)CC MCULE-3936368693 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.10 CCC(C)C(O)CN MCULE-1941564207 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.10 CCC(C)C(O)CO MCULE-9999862073 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.10 CCC(N)C(O)CC MCULE-3578258801 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.10 CCC(S)C(C)CO MCULE-1500370684 [0,0,0,0,0,0|2,1,0]=3 17 B7R0.10 CCN(C)C(C)CO MCULE-3647031998 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-2122638055 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-7964651759 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-8482653298 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.10 CC[C@H](C)[C@H](N)CF MCULE-3409941550 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.10 CC[C@H](C)[C@H](N)CF MCULE-9750756690 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-3647332227 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-5774547825 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8401203397 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8452836661 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-9307589673 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.10 ClCC(Cl)C(Cl)CCl MCULE-9682638312 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.10 ClC[C@H](Cl)[C@H](Cl)CCl MCULE-1943421741 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.10 NC[C@@H](F)[C@H](F)CF MCULE-8718491620 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.10 NC[C@H](F)[C@H](F)CF MCULE-9246801464 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-1073397630 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-8068595970 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.10 N[C@@H](CO)[C@@H](N)CO MCULE-2394488011 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,0,0,0,0,0|0,0,2]=2 42 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,0,0,0,0,0|0,0,2]=2 43 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,0,0,0,0,0|0,0,2]=2 44 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,0,0,0,0,0|0,0,2]=2 45 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [0,0,0,0,0,0|0,0,4]=4 46 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [0,0,0,0,0,0|0,0,2]=2 47 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [0,0,0,0,0,0|0,0,2]=2 48 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [0,0,0,0,0,0|0,0,2]=2 49 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [0,0,0,0,0,0|0,0,2]=2 50 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [0,0,0,0,0,0|0,0,2]=2 51 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [0,0,0,0,0,0|0,0,2]=2 52 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [0,0,0,0,0,0|0,0,2]=2 53 B7R0.10 OC(CBr)C(O)CBr MCULE-4608370293 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.10 OC(CCl)C(O)CCl MCULE-9282587936 [0,0,0,0,0,0|2,0,0]=2 55 B7R0.10 OC(CS)C(O)CS MCULE-7432075835 [0,0,0,0,0,0|0,2,0]=2 56 B7R0.10 OC/C(=C(\Br)/CO)/Br MCULE-4124313752 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.10 OC/C(=C(\I)/CO)/I MCULE-1498396594 [0,0,0,0,0,0|2,0,2]=4 58 B7R0.10 OCC(=C(Br)CO)Br MCULE-5802887340 [0,0,0,0,0,0|2,0,2]=4 59 B7R0.10 OCC(=C(I)CO)I MCULE-4534512400 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.10 OCC(Br)C(Br)CO MCULE-4593943249 [0,0,0,0,0,0|2,0,0]=2 61 B7R0.10 OCC(O)C(O)CO MCULE-9009953851 [0,0,0,0,0,0|0,0,0]=0 62 B7R0.10 OC[C@@H](Br)[C@H](Br)CO MCULE-7293448690 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-1593828237 [0,0,0,0,0,0|0,0,0]=0 64 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-7577661973 [0,0,0,0,0,0|0,0,0]=0 65 B7R0.10 OC[C@@H](O)[C@H](S)CS MCULE-1423721945 [0,0,0,0,0,0|0,2,0]=2 66 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-7306394407 [0,0,0,0,0,0|0,0,0]=0 67 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-8013265935 [0,0,0,0,0,0|0,0,0]=0 68 B7R0.10 OC[C@H](O)[C@H](O)CO MCULE-6886999157 [0,0,0,0,0,0|0,0,0]=0 69 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-6947486648 [0,0,0,0,0,0|0,2,0]=2 70 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-8883019394 [0,0,0,0,0,0|0,2,0]=2 71 B7R0.10 O[C@H](CBr)[C@H](O)CBr MCULE-5914686116 [0,0,0,0,0,0|2,0,0]=2 72 B7R0.10 O[C@H](CCl)[C@@H](O)CCl MCULE-8266433235 [0,0,0,0,0,0|2,0,0]=2 73 B7R0.10 O[C@H](CS)[C@@H](O)CS MCULE-3618084743 [0,0,0,0,0,0|0,2,0]=2 74 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-3329450277 [0,0,0,0,0,0|0,2,0]=2 75 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9065556670 [0,0,0,0,0,0|0,2,0]=2 76 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9666091728 [0,0,0,0,0,0|0,2,0]=2 77 B7R0.10 [C@@H](C)(CC)[C@@H](N)CO MCULE-4423825378 [0,0,0,0,0,0|3,0,0]=3 78 B6R0.1 C#CC(O)CCC MCULE-6152066005 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.1 C#CCC(C)CO MCULE-6139260605 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.1 C#CCC(N)CO MCULE-5669035635 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.1 C#CCC(O)CC MCULE-8783941008 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.1 C#CC[C@@H](N)CO MCULE-2638776426 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.1 C#CC[C@@H](N)CO MCULE-7710952185 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.1 C#CC[C@H](N)CO MCULE-8069295628 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.1 C#CC[C@H](N)CO MCULE-9440234580 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.1 C=C(CC)CCO MCULE-5317656776 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.1 C=CC(C)CCO MCULE-2890369298 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.1 C=CC(N)CCO MCULE-7781906138 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.1 C=CC(O)CCC MCULE-3664453040 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.1 C=CC(O)CCN MCULE-9346205308 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.1 C=CCC(C)CO MCULE-9174943108 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.1 C=CCC(N)CO MCULE-3854217705 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.1 C=CCC(N)CO MCULE-6104194102 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.1 C=CCC(N)CO MCULE-6473126335 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.1 C=CCC(N)CO MCULE-8430673873 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.1 C=CCC(O)CC MCULE-1497539816 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.1 C=CCC(O)CN MCULE-8237489732 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.1 CC(CN)CCN MCULE-2719332037 [1,0,0,0,0,0|3,0,0]=4 109 B6R0.1 CC(CN)CCN MCULE-4200375624 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.1 CC(CN)CCO MCULE-5515163518 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.1 CC(CO)CCN MCULE-9900244005 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.1 CC(CO)CCO MCULE-5240961149 [1,0,0,0,0,0|1,0,0]=2 113 B6R0.1 CC(CO)CCO MCULE-8678967805 [1,0,0,0,0,0|1,0,0]=2 114 B6R0.1 CCC(C)CCBr MCULE-6033010731 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.1 CCC(C)CCCl MCULE-2069721626 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.1 CCC(C)CCN MCULE-4140800594 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.1 CCC(C)CCN MCULE-5509248218 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.1 CCC(C)CCO MCULE-6482427735 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.1 CCC(N)CCN MCULE-8956610037 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.1 CCC(N)CCO MCULE-1511155206 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.1 CCC(N)CCO MCULE-5525302643 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.1 CCC(O)CC#N MCULE-2542710031 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.1 CCC(O)CCN MCULE-5387303971 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.1 CCC(O)CCO MCULE-5156075792 [1,0,0,0,0,0|1,0,0]=2 125 B6R0.1 CCC(O)CNC MCULE-2490431367 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.1 CCC(O)CNN MCULE-1038166714 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.1 CCC(O)CNN MCULE-6391104058 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.1 CCC(O)COC MCULE-6751000060 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.1 CCC(O)CSC MCULE-3582683720 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.1 CCC(S)CCO MCULE-4193788852 [1,0,0,0,0,0|1,1,0]=3 131 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,0,0,0,0,0|1,0,2]=4 132 B6R0.1 CCCC(Br)CC MCULE-9116433502 [1,0,0,0,0,0|3,0,0]=4 133 B6R0.1 CCCC(C)CBr MCULE-3437352091 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.1 CCCC(C)CC MCULE-7082933967 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.1 CCCC(C)CCl MCULE-2381010454 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.1 CCCC(C)CN MCULE-9552289739 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.1 CCCC(C)CO MCULE-9777250826 [1,0,0,0,0,0|2,0,0]=3 138 B6R0.1 CCCC(Cl)CC MCULE-1581617529 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.1 CCCC(Cl)CCl MCULE-9464139069 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.1 CCCC(N)CC MCULE-5349906741 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.1 CCCC(N)CC MCULE-7172418373 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.1 CCCC(N)CN MCULE-8606218569 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.1 CCCC(N)CO MCULE-3404967504 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.1 CCCC(N)CO MCULE-3802448518 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.1 CCCC(N)CO MCULE-4259078445 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.1 CCCC(N)CO MCULE-6425025734 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.1 CCCC(O)C#N MCULE-7017059503 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.1 CCCC(O)CBr MCULE-5186252424 [1,0,0,0,0,0|2,0,0]=3 149 B6R0.1 CCCC(O)CC MCULE-9504041935 [1,0,0,0,0,0|2,0,0]=3 150 B6R0.1 CCCC(O)CCl MCULE-4737360217 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.1 CCCC(O)CN MCULE-9402934997 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.1 CCCC(O)CO MCULE-5124107719 [1,0,0,0,0,0|1,0,0]=2 153 B6R0.1 CCCC(S)CC MCULE-1322481338 [1,0,0,0,0,0|2,1,0]=4 154 B6R0.1 CCC[C@@H](N)CF MCULE-4702552251 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.1 CCC[C@@H](N)CF MCULE-8118043624 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [1,0,0,0,0,0|2,0,0]=3 158 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [1,0,0,0,0,0|2,0,0]=3 160 B6R0.1 CCC[C@H](N)CF MCULE-7192744944 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.1 CCC[C@H](N)CF MCULE-7441387613 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [1,0,0,0,0,0|2,0,0]=3 164 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.1 CCN(C)CCO MCULE-5519271145 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.1 CCN(N)CCO MCULE-7988723724 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.1 CCNC(C)CO MCULE-4344397973 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.1 CCN[C@@H](C)CO MCULE-5648721449 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.1 CCN[C@H](C)CO MCULE-8047465405 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.1 CCOC(C)CO MCULE-1592146913 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.1 CCS(=O)CCO MCULE-8290368918 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.1 CC[C@@H](O)CC#N MCULE-5921416613 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.1 CC[C@@H](O)CC#N MCULE-8527710778 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.1 CNC(C)CCO MCULE-4722422254 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.1 CNCC(C)CO MCULE-6329429747 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.1 CNCC(O)CF MCULE-3368370486 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.1 CNCC(O)CN MCULE-1077260629 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.1 CNCC(O)CO MCULE-4566952448 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.1 COC(C)CCO MCULE-7396381165 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.1 COCC(C)CO MCULE-7663064542 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.1 COCC(N)CO MCULE-2141613120 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.1 COCC(N)CO MCULE-3194232042 [1,0,0,0,0,0|3,0,0]=4 188 B6R0.1 COCC(N)CO MCULE-6545937769 [1,0,0,0,0,0|3,0,0]=4 189 B6R0.1 COCC(N)CO MCULE-7989665777 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.1 COCC(O)CBr MCULE-6900294714 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.1 COCC(O)CCl MCULE-9314630227 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.1 COCC(O)CF MCULE-1938415887 [1,0,0,0,0,0|3,0,0]=4 193 B6R0.1 COCC(O)CN MCULE-2044547388 [1,0,0,0,0,0|3,0,0]=4 194 B6R0.1 COCC(O)CN MCULE-2145726384 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.1 COCC(O)CN MCULE-3637597204 [1,0,0,0,0,0|3,0,0]=4 196 B6R0.1 COCC(O)CO MCULE-1154104224 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [1,0,0,0,0,0|3,0,0]=4 201 B6R0.1 COC[C@@H](O)CN MCULE-2116679841 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.1 COC[C@@H](O)CN MCULE-4198842123 [1,0,0,0,0,0|3,0,0]=4 203 B6R0.1 COC[C@@H](O)CN MCULE-6330998296 [1,0,0,0,0,0|3,0,0]=4 204 B6R0.1 COC[C@H](C)CO MCULE-3120475252 [1,0,0,0,0,0|3,0,0]=4 205 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.1 COC[C@H](O)CN MCULE-1962346446 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.1 COC[C@H](O)CN MCULE-6290984425 [1,0,0,0,0,0|3,0,0]=4 211 B6R0.1 CSC(C)CCO MCULE-4317600086 [1,0,0,0,0,0|3,0,0]=4 212 B6R0.1 CSCC(C)CO MCULE-3842820579 [1,0,0,0,0,0|3,0,0]=4 213 B6R0.1 CSCC(O)CO MCULE-6573013078 [1,0,0,0,0,0|2,0,0]=3 214 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [1,0,0,0,0,0|2,0,0]=3 215 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [1,0,0,0,0,0|2,0,0]=3 216 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [1,0,0,0,0,0|1,0,0]=2 217 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [1,0,0,0,0,0|1,0,0]=2 218 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [1,0,0,0,0,0|1,0,0]=2 219 B6R0.1 ClCC(Cl)CCBr MCULE-2469656567 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.1 FC(CBr)CCBr MCULE-2311323533 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.1 N#CCC(O)CCl MCULE-8450875181 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.1 N#CCC(O)CCl MCULE-8948452380 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.1 N#CC[C@@H](O)CCl MCULE-6554781206 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.1 N#CC[C@@H](O)CCl MCULE-7510135915 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.1 N#CC[C@H](O)CCl MCULE-4155359829 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.1 N#CC[C@H](O)CCl MCULE-9172368545 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.1 NC(CO)CCF MCULE-3691993352 [1,0,0,0,0,0|2,0,0]=3 229 B6R0.1 NC(CO)CCO MCULE-3703088648 [1,0,0,0,0,0|1,0,0]=2 230 B6R0.1 NC(CO)CCO MCULE-7609576462 [1,0,0,0,0,0|1,0,0]=2 231 B6R0.1 NCC(N)CCO MCULE-2965554481 [1,0,0,0,0,0|2,0,0]=3 232 B6R0.1 NCCC(F)CN MCULE-9478589176 [1,0,0,0,0,0|3,0,0]=4 233 B6R0.1 NCCC(O)CN MCULE-9177974477 [1,0,0,0,0,0|2,0,0]=3 234 B6R0.1 NCCC(O)CO MCULE-2556586168 [1,0,0,0,0,0|1,0,0]=2 235 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [1,0,0,0,0,0|1,0,0]=2 236 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [1,0,0,0,0,0|1,0,0]=2 237 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [1,0,0,0,0,0|1,0,0]=2 238 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [1,0,0,0,0,0|1,0,0]=2 239 B6R0.1 N[C@H](CS)CCS MCULE-5846021725 [1,0,0,0,0,0|1,2,0]=4 240 B6R0.1 N[C@H](CS)CCS MCULE-6871313350 [1,0,0,0,0,0|1,2,0]=4 241 B6R0.1 N[C@H](CS)CCS MCULE-8095554848 [1,0,0,0,0,0|1,2,0]=4 242 B6R0.1 N[C@H](CS)CCS MCULE-8177349504 [1,0,0,0,0,0|1,2,0]=4 243 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [1,0,0,0,0,0|1,0,2]=4 244 B6R0.1 OC(CBr)CCBr MCULE-5156583342 [1,0,0,0,0,0|2,0,0]=3 245 B6R0.1 OC(CCl)CCCl MCULE-5495327725 [1,0,0,0,0,0|2,0,0]=3 246 B6R0.1 OCCC(O)CCl MCULE-4752952606 [1,0,0,0,0,0|1,0,0]=2 247 B6R0.1 OCCC(O)CO MCULE-6470178852 [1,0,0,0,0,0|0,0,0]=1 248 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [1,0,0,0,0,0|1,0,0]=2 249 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [1,0,0,0,0,0|0,0,0]=1 250 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [1,0,0,0,0,0|0,0,0]=1 251 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [1,0,0,0,0,0|1,0,0]=2 252 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [1,0,0,0,0,0|1,0,0]=2 253 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [1,0,0,0,0,0|1,0,0]=2 254 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [1,0,0,0,0,0|0,0,0]=1 255 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [1,0,0,0,0,0|0,0,0]=1 256 B6R0.1 O[C@@H](CBr)CCBr MCULE-2137750043 [1,0,0,0,0,0|2,0,0]=3 257 B6R0.1 O[C@H](CBr)CCBr MCULE-2647046297 [1,0,0,0,0,0|2,0,0]=3 258 B6R0.1 O[C@H](CBr)CCBr MCULE-5662911918 [1,0,0,0,0,0|2,0,0]=3 259 B6R0.1 [NH3+]CCC(F)C[NH3+] MCULE-8320233584 [1,0,0,0,0,0|3,0,0]=4 260 B6R0.3 C#CC(O)C(C)C MCULE-6729964061 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.3 C#C[C@@H](O)C(C)C MCULE-2957798079 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.3 C#C[C@H](O)C(C)C MCULE-7477457472 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.3 C=CC(C)C(C)O MCULE-5639096655 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-1946110265 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-2042493608 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.3 C=C[C@@H](C)[C@H](C)O MCULE-1482556738 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.3 C=C[C@H](C)[C@@H](C)O MCULE-4591189626 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2180884086 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2347920403 [1,0,0,0,0,0|2,0,1]=4 271 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,0,0,0,0,0|1,0,2]=4 272 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,0,0,0,0,0|1,0,2]=4 273 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,0,0,0,0,0|1,0,2]=4 274 B6R0.3 CC(Br)C(O)C#N MCULE-5520123598 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [1,0,0,0,0,0|1,0,2]=4 276 B6R0.3 CC(C)C(C)CBr MCULE-4323135623 [1,0,0,0,0,0|3,0,0]=4 277 B6R0.3 CC(C)C(C)CN MCULE-1011041652 [1,0,0,0,0,0|3,0,0]=4 278 B6R0.3 CC(C)C(C)CN MCULE-5682817467 [1,0,0,0,0,0|3,0,0]=4 279 B6R0.3 CC(C)C(C)CO MCULE-7008552664 [1,0,0,0,0,0|2,0,0]=3 280 B6R0.3 CC(C)C(N)CF MCULE-4101575579 [1,0,0,0,0,0|3,0,0]=4 281 B6R0.3 CC(C)C(N)CF MCULE-4888178244 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.3 CC(C)C(N)CN MCULE-3414430422 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.3 CC(C)C(N)CN MCULE-5279153780 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [1,0,0,0,0,0|2,0,0]=3 285 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [1,0,0,0,0,0|2,0,0]=3 286 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [1,0,0,0,0,0|2,0,0]=3 287 B6R0.3 CC(C)C(O)C#N MCULE-1764798154 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.3 CC(C)C(O)CBr MCULE-1921145212 [1,0,0,0,0,0|2,0,0]=3 289 B6R0.3 CC(C)C(O)CCl MCULE-7270676495 [1,0,0,0,0,0|2,0,0]=3 290 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [1,0,0,0,0,0|2,0,0]=3 292 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [1,0,0,0,0,0|1,0,0]=2 293 B6R0.3 CC(C)C(S)CO MCULE-1903780493 [1,0,0,0,0,0|1,1,0]=3 294 B6R0.3 CC(C)[C@@H](C)CO MCULE-4943691177 [1,0,0,0,0,0|2,0,0]=3 295 B6R0.3 CC(C)[C@@H](C)CO MCULE-6583781047 [1,0,0,0,0,0|2,0,0]=3 296 B6R0.3 CC(C)[C@@H](N)CF MCULE-7429178470 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.3 CC(C)[C@@H](N)CF MCULE-7951488806 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [1,0,0,0,0,0|2,0,0]=3 299 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [1,0,0,0,0,0|2,0,0]=3 300 B6R0.3 CC(C)[C@H](C)CO MCULE-9527582465 [1,0,0,0,0,0|2,0,0]=3 301 B6R0.3 CC(C)[C@H](N)CF MCULE-2978082368 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.3 CC(C)[C@H](N)CF MCULE-4609473233 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.3 CC(C)[C@H](N)CN MCULE-2884084983 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [1,0,0,0,0,0|2,0,0]=3 305 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [1,0,0,0,0,0|2,0,0]=3 306 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [1,0,0,0,0,0|2,0,0]=3 307 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [1,0,0,0,0,0|2,0,0]=3 308 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,0,0,0,0,0|1,0,2]=4 309 B6R0.3 CC(CO)N(C)C MCULE-7300076854 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.3 CC(Cl)C(O)CCl MCULE-5399761987 [1,0,0,0,0,0|2,0,0]=3 312 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [1,0,0,0,0,0|2,0,0]=3 313 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [1,0,0,0,0,0|1,0,0]=2 314 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.3 CC(O)C(C)C#N MCULE-2580244921 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [1,0,0,0,0,0|2,0,0]=3 317 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [1,0,0,0,0,0|1,0,0]=2 318 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [1,0,0,0,0,0|2,0,0]=3 319 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [1,0,0,0,0,0|2,0,0]=3 320 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [1,0,0,0,0,0|1,0,0]=2 321 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [1,0,0,0,0,0|1,0,0]=2 322 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [1,0,0,0,0,0|0,0,0]=1 323 B6R0.3 CC(S)C(C)CO MCULE-5435813701 [1,0,0,0,0,0|1,1,0]=3 324 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [1,0,0,0,0,0|1,0,2]=4 325 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [1,0,0,0,0,0|3,0,0]=4 326 B6R0.3 CCC(C)C(C)Br MCULE-5368409335 [1,0,0,0,0,0|3,0,0]=4 327 B6R0.3 CCC(C)C(C)C MCULE-9189749509 [1,0,0,0,0,0|3,0,0]=4 328 B6R0.3 CCC(C)C(C)Cl MCULE-2663176330 [1,0,0,0,0,0|3,0,0]=4 329 B6R0.3 CCC(C)C(C)N MCULE-1056466337 [1,0,0,0,0,0|3,0,0]=4 330 B6R0.3 CCC(C)C(C)N MCULE-1503543126 [1,0,0,0,0,0|3,0,0]=4 331 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [1,0,0,0,0,0|2,0,0]=3 332 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [1,0,0,0,0,0|3,0,0]=4 333 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [1,0,0,0,0,0|3,0,0]=4 334 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [1,0,0,0,0,0|2,0,0]=3 335 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [1,0,0,0,0,0|2,0,0]=3 336 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,0,0,0,0,0|1,0,2]=4 337 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,0,0,0,0,0|1,0,2]=4 338 B6R0.3 CCC(O)C(C)C MCULE-1130775455 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.3 CCC(O)C(C)N MCULE-4027170059 [1,0,0,0,0,0|2,0,0]=3 340 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [1,0,0,0,0,0|1,0,0]=2 341 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [1,0,0,0,0,0|2,0,0]=3 342 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [1,0,0,0,0,0|2,0,0]=3 343 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,0,0,0,0,0|1,0,2]=4 344 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,0,0,0,0,0|1,0,2]=4 345 B6R0.3 CC[C@@H](O)C(C)C MCULE-3684327261 [1,0,0,0,0,0|2,0,0]=3 346 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [1,0,0,0,0,0|3,0,0]=4 347 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [1,0,0,0,0,0|3,0,0]=4 348 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [1,0,0,0,0,0|2,0,0]=3 349 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [1,0,0,0,0,0|2,0,0]=3 350 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [1,0,0,0,0,0|2,0,0]=3 351 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [1,0,0,0,0,0|2,0,0]=3 352 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [1,0,0,0,0,0|2,0,0]=3 353 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [1,0,0,0,0,0|2,0,0]=3 354 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,0,0,0,0,0|1,0,2]=4 355 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,0,0,0,0,0|1,0,2]=4 356 B6R0.3 CC[C@H](O)C(C)C MCULE-9659963395 [1,0,0,0,0,0|2,0,0]=3 357 B6R0.3 COC(C)C(C)O MCULE-9844405908 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.3 CSC(C)C(C)O MCULE-9554880840 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,0,0,0,0,0|1,0,2]=4 360 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,0,0,0,0,0|1,0,2]=4 361 B6R0.3 C[C@@H](CO)N(C)C MCULE-4388248602 [1,0,0,0,0,0|3,0,0]=4 362 B6R0.3 C[C@@H](F)[C@@H](F)CN MCULE-9285557840 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.3 C[C@@H](F)[C@H](F)CN MCULE-9353092073 [1,0,0,0,0,0|3,0,0]=4 364 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [1,0,0,0,0,0|1,0,0]=2 365 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [1,0,0,0,0,0|1,0,0]=2 366 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [1,0,0,0,0,0|1,0,0]=2 367 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [1,0,0,0,0,0|1,0,0]=2 368 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [1,0,0,0,0,0|1,0,0]=2 369 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [1,0,0,0,0,0|1,0,0]=2 370 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,0,0,0,0,0|1,0,2]=4 371 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,0,0,0,0,0|1,0,2]=4 372 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [1,0,0,0,0,0|1,0,0]=2 373 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [1,0,0,0,0,0|1,0,0]=2 374 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [1,0,0,0,0,0|1,0,0]=2 375 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [1,0,0,0,0,0|1,0,0]=2 376 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [1,0,0,0,0,0|1,0,0]=2 377 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,0,0,0,0,0|1,0,2]=4 378 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,0,0,0,0,0|1,0,2]=4 379 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,0,0,0,0,0|1,0,2]=4 380 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,0,0,0,0,0|1,0,2]=4 381 B6R0.3 NCC(O)C(F)F MCULE-3263599594 [1,0,0,0,0,0|3,0,0]=4 382 B6R0.3 NCC(O)C(F)F MCULE-6925242752 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,0,0,0,0,0|1,0,2]=4 384 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,0,0,0,0,0|1,0,2]=4 385 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,0,0,0,0,0|1,0,2]=4 386 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,0,0,0,0,0|1,0,2]=4 387 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,0,0,0,0,0|1,0,2]=4 388 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,0,0,0,0,0|1,0,2]=4 389 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,0,0,0,0,0|1,0,2]=4 390 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,0,0,0,0,0|1,0,2]=4 391 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,0,0,0,0,0|1,0,2]=4 392 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,0,0,0,0,0|1,0,2]=4 393 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,0,0,0,0,0|1,0,2]=4 394 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,0,0,0,0,0|1,0,2]=4 395 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,0,0,0,0,0|1,0,2]=4 396 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,0,0,0,0,0|1,0,2]=4 397 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,0,0,0,0,0|0,0,2]=3 398 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,0,0,0,0,0|1,0,2]=4 399 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,0,0,0,0,0|1,0,2]=4 400 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,0,0,0,0,0|1,0,2]=4 401 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,0,0,0,0,0|0,0,2]=3 402 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,0,0,0,0,0|0,0,2]=3 403 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,0,0,0,0,0|1,0,2]=4 404 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,0,0,0,0,0|1,0,2]=4 405 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,0,0,0,0,0|1,0,2]=4 406 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,0,0,0,0,0|0,0,3]=4 407 B6R0.3 OC(CBr)C(F)F MCULE-2512834773 [1,0,0,0,0,0|3,0,0]=4 408 B6R0.3 OC[C@@H](O)C(F)F MCULE-5042610356 [1,0,0,0,0,0|2,0,0]=3 409 B6R0.3 OC[C@@H](O)C(F)F MCULE-8643910063 [1,0,0,0,0,0|2,0,0]=3 410 B8R0.2 CC(=C(O)C(O)CO)C MCULE-6683708267 [0,1,0,0,0,0|1,0,2]=4 411 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [0,1,0,0,0,0|0,0,2]=3 412 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [0,1,0,0,0,0|0,0,2]=3 413 B8R0.2 CC(O)C(O)C(O)C=O MCULE-2576273900 [0,1,0,0,0,0|0,0,2]=3 414 B8R0.2 CCC(C)C(C)C(C)O MCULE-2099710154 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.2 CCC(C)C(O)C(C)C MCULE-1108508487 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.2 CCC(N)C(O)C(C)C MCULE-1144815530 [0,1,0,0,0,0|3,0,0]=4 418 B8R0.2 CCC(N)C(O)C(C)C MCULE-7062182958 [0,1,0,0,0,0|3,0,0]=4 419 B8R0.2 CCC(N)C(O)C(F)F MCULE-8040533324 [0,1,0,0,0,0|3,0,0]=4 420 B8R0.2 CCC(N)C(O)C(F)F MCULE-9737477996 [0,1,0,0,0,0|3,0,0]=4 421 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,1,0,0,0,0|2,0,1]=4 425 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,1,0,0,0,0|2,0,1]=4 426 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,1,0,0,0,0|2,0,1]=4 429 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,1,0,0,0,0|2,0,1]=4 433 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,1,0,0,0,0|2,0,1]=4 436 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-1942337033 [0,1,0,0,0,0|0,0,2]=3 437 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-4131864005 [0,1,0,0,0,0|0,0,2]=3 438 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-8061692459 [0,1,0,0,0,0|0,0,2]=3 439 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O MCULE-5963868974 [0,1,0,0,0,0|0,0,2]=3 440 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,1,0,0,0,0|0,0,1]=2 441 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,1,0,0,0,0|0,0,1]=2 442 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,1,0,0,0,0|0,0,1]=2 443 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [0,1,0,0,0,0|0,0,2]=3 444 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [0,1,0,0,0,0|0,0,2]=3 445 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [0,1,0,0,0,0|0,0,2]=3 446 B8R0.3 CCCC(C)C(N)CO MCULE-7204075039 [0,1,0,0,0,0|3,0,0]=4 447 B8R0.3 CCCC(C)C(N)CO MCULE-9206965368 [0,1,0,0,0,0|3,0,0]=4 448 B8R0.3 CCCC(C)C(O)CC MCULE-5128705007 [0,1,0,0,0,0|3,0,0]=4 449 B8R0.3 CCCC(O)C(C)CC MCULE-5746279508 [0,1,0,0,0,0|3,0,0]=4 450 B8R0.3 CCCC(O)C(N)CO MCULE-6983866986 [0,1,0,0,0,0|2,0,0]=3 451 B8R0.3 O=CCC(O)C(O)CO MCULE-3895407431 [0,1,0,0,0,0|0,0,1]=2 452 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO MCULE-1639637147 [0,1,0,0,0,0|0,0,1]=2 453 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO MCULE-4968821647 [0,1,0,0,0,0|0,0,1]=2 454 B8R0.3 O=CC[C@@H](O)[C@H](O)CO MCULE-5691852027 [0,1,0,0,0,0|0,0,1]=2 455 B8R0.3 O=CC[C@H](O)[C@H](O)CO MCULE-4741377107 [0,1,0,0,0,0|0,0,1]=2 456 B8R0.3 O=CC[C@H](O)[C@H](O)CO MCULE-6728124442 [0,1,0,0,0,0|0,0,1]=2 457 B8R0.3 O=CC[C@H](O)[C@H](O)CO MCULE-7223741689 [0,1,0,0,0,0|0,0,1]=2 458 B8R0.13 CC(C)(CO)C(O)CN MCULE-8834765819 [0,1,0,0,0,0|2,0,0]=3 459 B8R0.13 CC(C)(CO)[C@@H](O)CO MCULE-9011219997 [0,1,0,0,0,0|1,0,0]=2 460 B8R0.13 CCC(C)C(C)(O)CC MCULE-8544550267 [0,1,0,0,0,0|3,0,0]=4 461 B8R0.13 CCC(C)C(C)(O)CN MCULE-5517076234 [0,1,0,0,0,0|3,0,0]=4 462 B8R0.13 C[C@](O)(CO)[C@H](O)CO MCULE-5157161314 [0,1,0,0,0,0|0,0,0]=1 463 B8R0.20 CCC(C)C(CN)OC MCULE-5181614773 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.20 CCC(C)C(CO)OC MCULE-9009724151 [0,1,0,0,0,0|2,0,0]=3 465 B8R0.20 CCC(CC)C(O)CN MCULE-3311357012 [0,1,0,0,0,0|3,0,0]=4 466 B8R0.20 CCC(CC)C(O)CO MCULE-2947428739 [0,1,0,0,0,0|2,0,0]=3 467 B8R0.20 CCC(O)C(CC)CC MCULE-1113039438 [0,1,0,0,0,0|3,0,0]=4 468 B8R0.20 COC(C)C(CO)OC MCULE-5469068997 [0,1,0,0,0,0|3,0,0]=4 469 B8R0.20 COC(CO)C(Br)CO MCULE-7125758160 [0,1,0,0,0,0|1,0,0]=2 470 B8R0.20 COC(OC)C(O)CO MCULE-6139329169 [0,1,0,0,0,0|2,0,0]=3 471 B8R1.5 CC1CCCCC1O MCULE-2704647488 [0,0,0,1,0,0|3,0,0]=4 472 B8R1.5 CC1CCNCC1O MCULE-5450375148 [0,0,0,1,0,0|3,0,0]=4 473 B8R1.5 CC1CCNCC1O MCULE-5649027214 [0,0,0,1,0,0|3,0,0]=4 474 B8R1.5 CC1CNCCC1O MCULE-1960718296 [0,0,0,1,0,0|3,0,0]=4 475 B8R1.5 CC1CNCCC1O MCULE-8434519185 [0,0,0,1,0,0|3,0,0]=4 476 B8R1.5 CC1COCCC1N MCULE-6236890728 [0,0,0,1,0,0|3,0,0]=4 477 B8R1.5 CC1COCCC1N MCULE-7497946239 [0,0,0,1,0,0|3,0,0]=4 478 B8R1.5 CC1COCCC1O MCULE-9430778912 [0,0,0,1,0,0|2,0,0]=3 479 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-3547716632 [0,0,0,1,0,0|3,0,0]=4 480 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-9259793572 [0,0,0,1,0,0|3,0,0]=4 481 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-6946702609 [0,0,0,1,0,0|3,0,0]=4 482 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-7899767253 [0,0,0,1,0,0|3,0,0]=4 483 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-9159305922 [0,0,0,1,0,0|3,0,0]=4 484 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-9391376462 [0,0,0,1,0,0|3,0,0]=4 485 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-4706073937 [0,0,0,1,0,0|3,0,0]=4 486 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-5188621987 [0,0,0,1,0,0|3,0,0]=4 487 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-6031430878 [0,0,0,1,0,0|3,0,0]=4 488 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-8311134495 [0,0,0,1,0,0|3,0,0]=4 489 B8R1.5 C[C@@H]1CNCC[C@H]1O MCULE-1211656855 [0,0,0,1,0,0|3,0,0]=4 490 B8R1.5 C[C@@H]1CNCC[C@H]1O MCULE-8887033073 [0,0,0,1,0,0|3,0,0]=4 491 B8R1.5 C[C@@H]1COCC[C@@H]1N MCULE-1854737385 [0,0,0,1,0,0|3,0,0]=4 492 B8R1.5 C[C@@H]1COCC[C@@H]1N MCULE-5272955365 [0,0,0,1,0,0|3,0,0]=4 493 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-1385721208 [0,0,0,1,0,0|3,0,0]=4 494 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-1584947952 [0,0,0,1,0,0|3,0,0]=4 495 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-3448920251 [0,0,0,1,0,0|3,0,0]=4 496 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-7256484712 [0,0,0,1,0,0|3,0,0]=4 497 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-4879328575 [0,0,0,1,0,0|3,0,0]=4 498 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-7331434797 [0,0,0,1,0,0|3,0,0]=4 499 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-2413866964 [0,0,0,1,0,0|3,0,0]=4 500 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-3541397142 [0,0,0,1,0,0|3,0,0]=4 501 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-4524645861 [0,0,0,1,0,0|3,0,0]=4 502 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-4989324272 [0,0,0,1,0,0|3,0,0]=4 503 B8R1.5 C[C@H]1CCNC[C@H]1O MCULE-6149485279 [0,0,0,1,0,0|3,0,0]=4 504 B8R1.5 C[C@H]1CCNC[C@H]1O MCULE-9609136161 [0,0,0,1,0,0|3,0,0]=4 505 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-1418189839 [0,0,0,1,0,0|3,0,0]=4 506 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-2162007646 [0,0,0,1,0,0|3,0,0]=4 507 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-4884869364 [0,0,0,1,0,0|3,0,0]=4 508 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-9707177849 [0,0,0,1,0,0|3,0,0]=4 509 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-1909814972 [0,0,0,1,0,0|3,0,0]=4 510 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-8202226496 [0,0,0,1,0,0|3,0,0]=4 511 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-9674887824 [0,0,0,1,0,0|3,0,0]=4 512 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-9888495251 [0,0,0,1,0,0|3,0,0]=4 513 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-3420685614 [0,0,0,1,0,0|3,0,0]=4 514 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-4495690357 [0,0,0,1,0,0|3,0,0]=4 515 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-9724547988 [0,0,0,1,0,0|3,0,0]=4 516 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-9889716251 [0,0,0,1,0,0|3,0,0]=4 517 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-3075216082 [0,0,0,1,0,0|3,0,0]=4 518 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-4276602047 [0,0,0,1,0,0|3,0,0]=4 519 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-6090606114 [0,0,0,1,0,0|3,0,0]=4 520 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-6610603811 [0,0,0,1,0,0|3,0,0]=4 521 B8R1.5 NC1CCCCC1O MCULE-1427424523 [0,0,0,1,0,0|3,0,0]=4 522 B8R1.5 NC1CCCCC1O MCULE-2793336591 [0,0,0,1,0,0|3,0,0]=4 523 B8R1.5 NC1CCNCC1O MCULE-2705091841 [0,0,0,1,0,0|3,0,0]=4 524 B8R1.5 NC1CCOCC1F MCULE-1016932578 [0,0,0,1,0,0|3,0,0]=4 525 B8R1.5 NC1CCOCC1F MCULE-9622790392 [0,0,0,1,0,0|3,0,0]=4 526 B8R1.5 NC1CCOCC1O MCULE-2815184899 [0,0,0,1,0,0|2,0,0]=3 527 B8R1.5 NC1CCOCC1O MCULE-4548392204 [0,0,0,1,0,0|2,0,0]=3 528 B8R1.5 NC1COCCC1F MCULE-1455837903 [0,0,0,1,0,0|3,0,0]=4 529 B8R1.5 NC1COCCC1F MCULE-7145252320 [0,0,0,1,0,0|3,0,0]=4 530 B8R1.5 NC1COCCC1O MCULE-6374385354 [0,0,0,1,0,0|2,0,0]=3 531 B8R1.5 NC1COCCC1O MCULE-7944406292 [0,0,0,1,0,0|2,0,0]=3 532 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2753918610 [0,0,0,1,0,0|3,0,0]=4 533 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2761271370 [0,0,0,1,0,0|3,0,0]=4 534 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-4978213189 [0,0,0,1,0,0|3,0,0]=4 535 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-9182719952 [0,0,0,1,0,0|3,0,0]=4 536 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-1509174959 [0,0,0,1,0,0|3,0,0]=4 537 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-2336529349 [0,0,0,1,0,0|3,0,0]=4 538 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-4732604931 [0,0,0,1,0,0|3,0,0]=4 539 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-6124510830 [0,0,0,1,0,0|3,0,0]=4 540 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-7301593250 [0,0,0,1,0,0|3,0,0]=4 541 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-8501577810 [0,0,0,1,0,0|3,0,0]=4 542 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-1435526553 [0,0,0,1,0,0|3,0,0]=4 543 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-8731873892 [0,0,0,1,0,0|3,0,0]=4 544 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-1239747130 [0,0,0,1,0,0|3,0,0]=4 545 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-2720196545 [0,0,0,1,0,0|3,0,0]=4 546 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-4681308404 [0,0,0,1,0,0|3,0,0]=4 547 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-5510784592 [0,0,0,1,0,0|3,0,0]=4 548 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-6118396691 [0,0,0,1,0,0|3,0,0]=4 549 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-9001277868 [0,0,0,1,0,0|3,0,0]=4 550 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-1888816293 [0,0,0,1,0,0|2,0,0]=3 551 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3667258867 [0,0,0,1,0,0|2,0,0]=3 552 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3915823883 [0,0,0,1,0,0|2,0,0]=3 553 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-9959521476 [0,0,0,1,0,0|2,0,0]=3 554 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-3556707940 [0,0,0,1,0,0|3,0,0]=4 555 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-4525092522 [0,0,0,1,0,0|3,0,0]=4 556 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-7086756183 [0,0,0,1,0,0|3,0,0]=4 557 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-8506007792 [0,0,0,1,0,0|3,0,0]=4 558 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-1071839837 [0,0,0,1,0,0|2,0,0]=3 559 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-6051401821 [0,0,0,1,0,0|2,0,0]=3 560 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-7013720281 [0,0,0,1,0,0|2,0,0]=3 561 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-8477518337 [0,0,0,1,0,0|2,0,0]=3 562 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-1031623201 [0,0,0,1,0,0|2,0,0]=3 563 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-2846030882 [0,0,0,1,0,0|2,0,0]=3 564 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-8863364874 [0,0,0,1,0,0|2,0,0]=3 565 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-9836639365 [0,0,0,1,0,0|2,0,0]=3 566 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-2318671918 [0,0,0,1,0,0|3,0,0]=4 567 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-3695420668 [0,0,0,1,0,0|3,0,0]=4 568 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-6955873978 [0,0,0,1,0,0|3,0,0]=4 569 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-8343413560 [0,0,0,1,0,0|3,0,0]=4 570 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-4436769496 [0,0,0,1,0,0|2,0,0]=3 571 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-6163244980 [0,0,0,1,0,0|2,0,0]=3 572 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-8697534407 [0,0,0,1,0,0|2,0,0]=3 573 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-9625047427 [0,0,0,1,0,0|2,0,0]=3 574 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1277967673 [0,0,0,1,0,0|3,0,0]=4 575 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1301750612 [0,0,0,1,0,0|3,0,0]=4 576 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-3861922722 [0,0,0,1,0,0|3,0,0]=4 577 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-8489439004 [0,0,0,1,0,0|3,0,0]=4 578 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-1599409645 [0,0,0,1,0,0|3,0,0]=4 579 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-3318800690 [0,0,0,1,0,0|3,0,0]=4 580 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-4235445104 [0,0,0,1,0,0|3,0,0]=4 581 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6518289705 [0,0,0,1,0,0|3,0,0]=4 582 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6606691116 [0,0,0,1,0,0|3,0,0]=4 583 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-9979333085 [0,0,0,1,0,0|3,0,0]=4 584 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-1493875164 [0,0,0,1,0,0|3,0,0]=4 585 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-2102376472 [0,0,0,1,0,0|3,0,0]=4 586 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-6109633704 [0,0,0,1,0,0|3,0,0]=4 587 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-7337274868 [0,0,0,1,0,0|3,0,0]=4 588 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-9740357152 [0,0,0,1,0,0|3,0,0]=4 589 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-9831607120 [0,0,0,1,0,0|3,0,0]=4 590 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-1217623714 [0,0,0,1,0,0|2,0,0]=3 591 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4607259008 [0,0,0,1,0,0|2,0,0]=3 592 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4749541215 [0,0,0,1,0,0|2,0,0]=3 593 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-9683658087 [0,0,0,1,0,0|2,0,0]=3 594 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-1550590585 [0,0,0,1,0,0|3,0,0]=4 595 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-4067592428 [0,0,0,1,0,0|3,0,0]=4 596 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-4649837852 [0,0,0,1,0,0|3,0,0]=4 597 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-6334068028 [0,0,0,1,0,0|3,0,0]=4 598 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1807586879 [0,0,0,1,0,0|2,0,0]=3 599 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1937023434 [0,0,0,1,0,0|2,0,0]=3 600 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4374635229 [0,0,0,1,0,0|2,0,0]=3 601 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4873019238 [0,0,0,1,0,0|2,0,0]=3 602 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-1937054893 [0,0,0,1,0,0|2,0,0]=3 603 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-4877924283 [0,0,0,1,0,0|2,0,0]=3 604 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-6674323819 [0,0,0,1,0,0|2,0,0]=3 605 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-7305089306 [0,0,0,1,0,0|2,0,0]=3 606 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-8372108333 [0,0,0,1,0,0|2,0,0]=3 607 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [0,0,0,1,0,0|1,0,2]=4 608 B8R1.5 OC1CCCCC1Cl MCULE-8650942069 [0,0,0,1,0,0|3,0,0]=4 609 B8R1.5 OC1CCCCC1F MCULE-7634543650 [0,0,0,1,0,0|3,0,0]=4 610 B8R1.5 OC1CCCCC1O MCULE-2967360901 [0,0,0,1,0,0|2,0,0]=3 611 B8R1.5 OC1CCNCC1F MCULE-3466397366 [0,0,0,1,0,0|3,0,0]=4 612 B8R1.5 OC1CCNCC1F MCULE-8065194779 [0,0,0,1,0,0|3,0,0]=4 613 B8R1.5 OC1CCNCC1O MCULE-3039573850 [0,0,0,1,0,0|2,0,0]=3 614 B8R1.5 OC1CCNCC1O MCULE-8828122539 [0,0,0,1,0,0|2,0,0]=3 615 B8R1.5 OC1CCOCC1F MCULE-6531880501 [0,0,0,1,0,0|2,0,0]=3 616 B8R1.5 OC1CNCCC1F MCULE-2946280821 [0,0,0,1,0,0|3,0,0]=4 617 B8R1.5 OC1CNCCC1F MCULE-3493148821 [0,0,0,1,0,0|3,0,0]=4 618 B8R1.5 OC1CSSCC1O MCULE-3716589710 [0,0,0,1,0,0|0,2,0]=3 619 B8R1.5 O[C@@H]1CCCC[C@H]1F MCULE-2305949625 [0,0,0,1,0,0|3,0,0]=4 620 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3067807104 [0,0,0,1,0,0|2,0,0]=3 621 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3429096841 [0,0,0,1,0,0|2,0,0]=3 622 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-9892753066 [0,0,0,1,0,0|2,0,0]=3 623 B8R1.5 O[C@@H]1CCCC[C@H]1S MCULE-6222162383 [0,0,0,1,0,0|2,1,0]=4 624 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-3951980250 [0,0,0,1,0,0|3,0,0]=4 625 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-4022160407 [0,0,0,1,0,0|3,0,0]=4 626 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-7163743424 [0,0,0,1,0,0|3,0,0]=4 627 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-9380154478 [0,0,0,1,0,0|3,0,0]=4 628 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-2399390264 [0,0,0,1,0,0|3,0,0]=4 629 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-6405573375 [0,0,0,1,0,0|3,0,0]=4 630 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-7590255724 [0,0,0,1,0,0|3,0,0]=4 631 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-8845231230 [0,0,0,1,0,0|3,0,0]=4 632 B8R1.5 O[C@@H]1CCNC[C@H]1O MCULE-3688872623 [0,0,0,1,0,0|2,0,0]=3 633 B8R1.5 O[C@@H]1CCNC[C@H]1O MCULE-5098984807 [0,0,0,1,0,0|2,0,0]=3 634 B8R1.5 O[C@@H]1CCOC[C@@H]1F MCULE-1035298575 [0,0,0,1,0,0|2,0,0]=3 635 B8R1.5 O[C@@H]1CCOC[C@@H]1F MCULE-7549327189 [0,0,0,1,0,0|2,0,0]=3 636 B8R1.5 O[C@@H]1CCOC[C@H]1F MCULE-5919881662 [0,0,0,1,0,0|2,0,0]=3 637 B8R1.5 O[C@@H]1CNCC[C@@H]1F MCULE-1622561753 [0,0,0,1,0,0|3,0,0]=4 638 B8R1.5 O[C@@H]1CNCC[C@@H]1F MCULE-6945313787 [0,0,0,1,0,0|3,0,0]=4 639 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-3612777118 [0,0,0,1,0,0|3,0,0]=4 640 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-5621905223 [0,0,0,1,0,0|3,0,0]=4 641 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-6188298332 [0,0,0,1,0,0|3,0,0]=4 642 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-7586426338 [0,0,0,1,0,0|3,0,0]=4 643 B8R1.5 O[C@@H]1CSSC[C@H]1O MCULE-2981026113 [0,0,0,1,0,0|0,2,0]=3 644 B8R1.5 O[C@H]1CCCC[C@@H]1F MCULE-7833708338 [0,0,0,1,0,0|3,0,0]=4 645 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-7078207162 [0,0,0,1,0,0|2,0,0]=3 646 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-9836847707 [0,0,0,1,0,0|2,0,0]=3 647 B8R1.5 O[C@H]1CCCC[C@H]1Br MCULE-8133807743 [0,0,0,1,0,0|3,0,0]=4 648 B8R1.5 O[C@H]1CCCC[C@H]1O MCULE-3539097516 [0,0,0,1,0,0|2,0,0]=3 649 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-1808200479 [0,0,0,1,0,0|3,0,0]=4 650 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-5879546904 [0,0,0,1,0,0|3,0,0]=4 651 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-7720582046 [0,0,0,1,0,0|3,0,0]=4 652 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-9733376385 [0,0,0,1,0,0|3,0,0]=4 653 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-1740802653 [0,0,0,1,0,0|2,0,0]=3 654 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-5396588753 [0,0,0,1,0,0|2,0,0]=3 655 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-6762598540 [0,0,0,1,0,0|2,0,0]=3 656 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-9747818285 [0,0,0,1,0,0|2,0,0]=3 657 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-2742864171 [0,0,0,1,0,0|3,0,0]=4 658 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-4720397627 [0,0,0,1,0,0|3,0,0]=4 659 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-7747536704 [0,0,0,1,0,0|3,0,0]=4 660 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-9341492038 [0,0,0,1,0,0|3,0,0]=4 661 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-2865586489 [0,0,0,1,0,0|2,0,0]=3 662 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-6097537639 [0,0,0,1,0,0|2,0,0]=3 663 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-8152004203 [0,0,0,1,0,0|2,0,0]=3 664 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-8500578666 [0,0,0,1,0,0|2,0,0]=3 665 B8R1.5 O[C@H]1CCOC[C@@H]1F MCULE-6227313100 [0,0,0,1,0,0|2,0,0]=3 666 B8R1.5 O[C@H]1CCOC[C@@H]1F MCULE-8454301102 [0,0,0,1,0,0|2,0,0]=3 667 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-6598998730 [0,0,0,1,0,0|2,0,0]=3 668 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-7224746770 [0,0,0,1,0,0|2,0,0]=3 669 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-7648243504 [0,0,0,1,0,0|2,0,0]=3 670 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-1003695930 [0,0,0,1,0,0|3,0,0]=4 671 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-2595427193 [0,0,0,1,0,0|3,0,0]=4 672 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-4420509139 [0,0,0,1,0,0|3,0,0]=4 673 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-1178411420 [0,0,0,1,0,0|3,0,0]=4 674 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-1550810398 [0,0,0,1,0,0|3,0,0]=4 675 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-9461941348 [0,0,0,1,0,0|3,0,0]=4 676 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-9787124381 [0,0,0,1,0,0|3,0,0]=4 677 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-2884977174 [0,0,0,1,0,0|2,0,0]=3 678 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-4059971580 [0,0,0,1,0,0|2,0,0]=3 679 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-4860264041 [0,0,0,1,0,0|2,0,0]=3 680 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-5794552949 [0,0,0,1,0,0|2,0,0]=3 681 B8R1.5 O[C@H]1CNNC[C@@H]1O MCULE-7867785160 [0,0,0,1,0,0|2,0,0]=3 682 B8R1.5 O[C@H]1CSSC[C@@H]1O MCULE-2785197932 [0,0,0,1,0,0|0,2,0]=3 683 B8R1.5 O[C@H]1CSSC[C@@H]1O MCULE-5975753187 [0,0,0,1,0,0|0,2,0]=3 684 B8R1.5 [C@@H]1(CCNC[C@@H]1F)O MCULE-4552431818 [0,0,0,1,0,0|3,0,0]=4 685 B8R1.5 [C@@H]1(CCNC[C@@H]1F)O MCULE-6293331305 [0,0,0,1,0,0|3,0,0]=4 686 B8R1.5 [C@@H]1(CCNC[C@H]1F)O MCULE-2598494094 [0,0,0,1,0,0|3,0,0]=4 687 B8R1.5 [C@@H]1(CCNC[C@H]1F)O MCULE-9897987946 [0,0,0,1,0,0|3,0,0]=4 688 B8R1.5 [C@@H]1(CCNC[C@H]1O)C MCULE-2307148539 [0,0,0,1,0,0|3,0,0]=4 689 B8R1.5 [C@@H]1(CCNC[C@H]1O)C MCULE-7550947729 [0,0,0,1,0,0|3,0,0]=4 690 B8R1.5 [C@@H]1(CCOC[C@@H]1O)N MCULE-2201413833 [0,0,0,1,0,0|2,0,0]=3 691 B8R1.5 [C@@H]1(CCOC[C@H]1N)O MCULE-7745052941 [0,0,0,1,0,0|2,0,0]=3 692 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-6806325155 [0,0,0,1,0,0|3,0,0]=4 693 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-8351727587 [0,0,0,1,0,0|3,0,0]=4 694 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-9141886243 [0,0,0,1,0,0|3,0,0]=4 695 B8R1.5 [C@@H]1(CNCC[C@H]1O)O MCULE-7522153539 [0,0,0,1,0,0|2,0,0]=3 696 B8R1.5 [C@@H]1(CNCC[C@H]1O)O MCULE-8922491067 [0,0,0,1,0,0|2,0,0]=3 697 B8R1.5 [C@@H]1(COCC[C@@H]1O)N MCULE-2864950342 [0,0,0,1,0,0|2,0,0]=3 698 B8R1.5 [C@H]1(CCCC[C@H]1F)O MCULE-7751753244 [0,0,0,1,0,0|3,0,0]=4 699 B8R1.5 [C@H]1(CCNC[C@H]1O)O MCULE-2825513554 [0,0,0,1,0,0|2,0,0]=3 700 B8R1.5 [C@H]1(CCNC[C@H]1O)O MCULE-3902017522 [0,0,0,1,0,0|2,0,0]=3 701 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-3291339796 [0,0,0,1,0,0|2,0,0]=3 702 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-5641035715 [0,0,0,1,0,0|2,0,0]=3 703 B8R1.5 [C@H]1(CNCC[C@H]1C)O MCULE-8053222550 [0,0,0,1,0,0|3,0,0]=4 704 B8R1.5 [C@H]1(CNCC[C@H]1C)O MCULE-9640568177 [0,0,0,1,0,0|3,0,0]=4 705 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-1419969909 [0,0,0,1,0,0|3,0,0]=4 706 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-1584116117 [0,0,0,1,0,0|3,0,0]=4 707 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-2275992252 [0,0,0,1,0,0|3,0,0]=4 708 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-4151833845 [0,0,0,1,0,0|3,0,0]=4 709 B8R1.5 [C@H]1(COCC[C@H]1N)C MCULE-2786096186 [0,0,0,1,0,0|3,0,0]=4 710 B8R1.5 [C@H]1(COCC[C@H]1N)C MCULE-3516272365 [0,0,0,1,0,0|3,0,0]=4 711 B8R1.5 [C@H]1(COCC[C@H]1N)O MCULE-2088495989 [0,0,0,1,0,0|2,0,0]=3 712 B8R1.5 [C@H]1(COCC[C@H]1O)N MCULE-5409068801 [0,0,0,1,0,0|2,0,0]=3 713 B8R1.11 CC1CCCC1CO MCULE-9356546543 [0,0,0,1,0,0|3,0,0]=4 714 B8R1.11 CC1CCNC1CO MCULE-3727613396 [0,0,0,1,0,0|3,0,0]=4 715 B8R1.11 CC1CNCC1CO MCULE-2423357421 [0,0,0,1,0,0|3,0,0]=4 716 B8R1.11 CC1CNCC1CO MCULE-9628020162 [0,0,0,1,0,0|3,0,0]=4 717 B8R1.11 CC1COCC1CO MCULE-7218606126 [0,0,0,1,0,0|2,0,0]=3 718 B8R1.11 CCC1CNCC1O MCULE-2095082658 [0,0,0,1,0,0|3,0,0]=4 719 B8R1.11 CCC1COCC1N MCULE-2113082654 [0,0,0,1,0,0|3,0,0]=4 720 B8R1.11 CCC1NCCC1O MCULE-6141963287 [0,0,0,1,0,0|3,0,0]=4 721 B8R1.11 CCC1NCCC1O MCULE-9283391049 [0,0,0,1,0,0|3,0,0]=4 722 B8R1.11 CC[C@@H]1OCC[C@H]1N MCULE-6631183888 [0,0,0,1,0,0|3,0,0]=4 723 B8R1.11 CNC1COCC1O MCULE-3213649270 [0,0,0,1,0,0|3,0,0]=4 724 B8R1.11 CNC1COCC1O MCULE-9580482754 [0,0,0,1,0,0|3,0,0]=4 725 B8R1.11 CN[C@H]1COC[C@@H]1O MCULE-2473921085 [0,0,0,1,0,0|3,0,0]=4 726 B8R1.11 CN[C@H]1COC[C@@H]1O MCULE-3126899770 [0,0,0,1,0,0|3,0,0]=4 727 B8R1.11 CN[C@H]1COC[C@@H]1O MCULE-7521708435 [0,0,0,1,0,0|3,0,0]=4 728 B8R1.11 CN[C@H]1COC[C@@H]1O MCULE-9503537203 [0,0,0,1,0,0|3,0,0]=4 729 B8R1.11 CO[C@@H]1COC[C@H]1O MCULE-8600684247 [0,0,0,1,0,0|3,0,0]=4 730 B8R1.11 C[C@@H]1CCN[C@@H]1CO MCULE-7458696223 [0,0,0,1,0,0|3,0,0]=4 731 B8R1.11 C[C@@H]1CCN[C@H]1CO MCULE-7407237429 [0,0,0,1,0,0|3,0,0]=4 732 B8R1.11 C[C@@H]1CNC[C@H]1CO MCULE-9810701855 [0,0,0,1,0,0|3,0,0]=4 733 B8R1.11 C[C@H]1CCN[C@@H]1CO MCULE-9913318158 [0,0,0,1,0,0|3,0,0]=4 734 B8R1.11 C[C@H]1CCN[C@H]1CO MCULE-4322110368 [0,0,0,1,0,0|3,0,0]=4 735 B8R1.11 C[C@H]1CNC[C@@H]1CO MCULE-2024872524 [0,0,0,1,0,0|3,0,0]=4 736 B8R1.11 C[C@H]1CNC[C@@H]1CO MCULE-3327012262 [0,0,0,1,0,0|3,0,0]=4 737 B8R1.11 C[C@H]1CNC[C@@H]1CO MCULE-4174376777 [0,0,0,1,0,0|3,0,0]=4 738 B8R1.11 C[C@H]1CNC[C@@H]1CO MCULE-4680966874 [0,0,0,1,0,0|3,0,0]=4 739 B8R1.11 C[C@H]1CNC[C@@H]1CO MCULE-8985861060 [0,0,0,1,0,0|3,0,0]=4 740 B8R1.11 NC1CCCC1CO MCULE-9652022908 [0,0,0,1,0,0|3,0,0]=4 741 B8R1.11 NC1COCC1CO MCULE-6651647999 [0,0,0,1,0,0|2,0,0]=3 742 B8R1.11 NCC1CCCC1O MCULE-6648305550 [0,0,0,1,0,0|3,0,0]=4 743 B8R1.11 NCC1COCC1O MCULE-7629136815 [0,0,0,1,0,0|2,0,0]=3 744 B8R1.11 NCC1COCC1O MCULE-9331285001 [0,0,0,1,0,0|2,0,0]=3 745 B8R1.11 NC[C@@H]1COC[C@@H]1O MCULE-1244186811 [0,0,0,1,0,0|2,0,0]=3 746 B8R1.11 NC[C@@H]1COC[C@@H]1O MCULE-6610306543 [0,0,0,1,0,0|2,0,0]=3 747 B8R1.11 NC[C@@H]1COC[C@H]1O MCULE-3050365915 [0,0,0,1,0,0|2,0,0]=3 748 B8R1.11 NC[C@@H]1COC[C@H]1O MCULE-7562651947 [0,0,0,1,0,0|2,0,0]=3 749 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-3389541880 [0,0,0,1,0,0|2,0,0]=3 750 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-4457950567 [0,0,0,1,0,0|2,0,0]=3 751 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-8588609893 [0,0,0,1,0,0|2,0,0]=3 752 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-9441669251 [0,0,0,1,0,0|2,0,0]=3 753 B8R1.11 NC[C@H]1COC[C@H]1O MCULE-8711391145 [0,0,0,1,0,0|2,0,0]=3 754 B8R1.11 NC[C@H]1COC[C@H]1O MCULE-9812036421 [0,0,0,1,0,0|2,0,0]=3 755 B8R1.11 N[C@@H]1CCC[C@H]1CO MCULE-7218353328 [0,0,0,1,0,0|3,0,0]=4 756 B8R1.11 N[C@@H]1COC[C@@H]1CO MCULE-8267820303 [0,0,0,1,0,0|2,0,0]=3 757 B8R1.11 N[C@@H]1COC[C@H]1CO MCULE-3070797384 [0,0,0,1,0,0|2,0,0]=3 758 B8R1.11 N[C@@H]1COC[C@H]1CO MCULE-4572096805 [0,0,0,1,0,0|2,0,0]=3 759 B8R1.11 N[C@H]1CCC[C@H]1CO MCULE-3793323277 [0,0,0,1,0,0|3,0,0]=4 760 B8R1.11 N[C@H]1CCC[C@H]1CO MCULE-5297422093 [0,0,0,1,0,0|3,0,0]=4 761 B8R1.11 N[C@H]1COC[C@@H]1CO MCULE-2948740480 [0,0,0,1,0,0|2,0,0]=3 762 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-3409455124 [0,0,0,1,0,0|2,0,0]=3 763 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-6058647833 [0,0,0,1,0,0|2,0,0]=3 764 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-6847790594 [0,0,0,1,0,0|2,0,0]=3 765 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-8456266436 [0,0,0,1,0,0|2,0,0]=3 766 B8R1.11 OCC1CCCC1O MCULE-7244611817 [0,0,0,1,0,0|2,0,0]=3 767 B8R1.11 OCC1CNCC1O MCULE-6800319532 [0,0,0,1,0,0|2,0,0]=3 768 B8R1.11 OCC1CNCC1O MCULE-8508401397 [0,0,0,1,0,0|2,0,0]=3 769 B8R1.11 OCC1NCCC1O MCULE-6288507636 [0,0,0,1,0,0|2,0,0]=3 770 B8R1.11 OCC1NCCC1O MCULE-6806405470 [0,0,0,1,0,0|2,0,0]=3 771 B8R1.11 OCC1OCCC1O MCULE-2601628372 [0,0,0,1,0,0|1,0,0]=2 772 B8R1.11 OC[C@@H]1CNC[C@@H]1O MCULE-4006152813 [0,0,0,1,0,0|2,0,0]=3 773 B8R1.11 OC[C@@H]1CNC[C@@H]1O MCULE-5884019743 [0,0,0,1,0,0|2,0,0]=3 774 B8R1.11 OC[C@@H]1CNC[C@H]1O MCULE-4276332736 [0,0,0,1,0,0|2,0,0]=3 775 B8R1.11 OC[C@@H]1CNC[C@H]1O MCULE-5570487527 [0,0,0,1,0,0|2,0,0]=3 776 B8R1.11 OC[C@@H]1NCC[C@@H]1O MCULE-8384230507 [0,0,0,1,0,0|2,0,0]=3 777 B8R1.11 OC[C@@H]1NCC[C@H]1O MCULE-3549294738 [0,0,0,1,0,0|2,0,0]=3 778 B8R1.11 OC[C@H]1CNC[C@@H]1O MCULE-4150422763 [0,0,0,1,0,0|2,0,0]=3 779 B8R1.11 OC[C@H]1CNC[C@@H]1O MCULE-4399626759 [0,0,0,1,0,0|2,0,0]=3 780 B8R1.11 OC[C@H]1CNC[C@H]1O MCULE-1964844966 [0,0,0,1,0,0|2,0,0]=3 781 B8R1.11 OC[C@H]1CNC[C@H]1O MCULE-2031563638 [0,0,0,1,0,0|2,0,0]=3 782 B8R1.11 OC[C@H]1CNC[C@H]1O MCULE-5072230521 [0,0,0,1,0,0|2,0,0]=3 783 B8R1.11 OC[C@H]1CNC[C@H]1O MCULE-6483520020 [0,0,0,1,0,0|2,0,0]=3 784 B8R1.11 OC[C@H]1NCC[C@@H]1O MCULE-3020492285 [0,0,0,1,0,0|2,0,0]=3 785 B8R1.11 OC[C@H]1NCC[C@@H]1O MCULE-4180813715 [0,0,0,1,0,0|2,0,0]=3 786 B8R1.11 OC[C@H]1NCC[C@@H]1O MCULE-8831128340 [0,0,0,1,0,0|2,0,0]=3 787 B8R1.11 OC[C@H]1NCC[C@@H]1O MCULE-9415023769 [0,0,0,1,0,0|2,0,0]=3 788 B8R1.11 OC[C@H]1NCC[C@H]1O MCULE-9396804561 [0,0,0,1,0,0|2,0,0]=3 789 B8R1.11 OC[C@H]1OC=C[C@@H]1O MCULE-7880756266 [0,0,0,1,0,0|1,0,1]=3 790 B8R1.11 OC[C@H]1OCC[C@@H]1O MCULE-4089527318 [0,0,0,1,0,0|1,0,0]=2 791 B8R1.11 OC[C@H]1OCC[C@@H]1O MCULE-9198335558 [0,0,0,1,0,0|1,0,0]=2 792 B8R1.11 [C@H]1(CCC[C@H]1CO)N MCULE-8523302139 [0,0,0,1,0,0|3,0,0]=4 793 B8R1.11 [C@H]1(COC[C@@H]1CN)O MCULE-1038770438 [0,0,0,1,0,0|2,0,0]=3 794 B8R1.11 [C@H]1(COC[C@H]1CN)O MCULE-3362382906 [0,0,0,1,0,0|2,0,0]=3 795 B8R1.11 [C@H]1(COC[C@H]1CN)O MCULE-8153203630 [0,0,0,1,0,0|2,0,0]=3 796 B8R1.12 C1(CCC1CO)CO MCULE-2925182914 [0,0,0,1,0,0|2,0,0]=3 797 B8R1.12 OC[C@@H]1CC[C@H]1CO MCULE-9248215797 [0,0,0,1,0,0|2,0,0]=3 798 B8R1.12 [C@@H]1(CC[C@H]1CO)CO MCULE-3818148307 [0,0,0,1,0,0|2,0,0]=3 799 B8R1.38 CC(CO)C1CCC1 MCULE-1784327025 [0,0,0,1,0,0|3,0,0]=4 800 B8R1.38 CC(CO)C1CCO1 MCULE-2444675648 [0,0,0,1,0,0|2,0,0]=3 801 B8R1.38 CCC(O)C1CCC1 MCULE-5180007399 [0,0,0,1,0,0|3,0,0]=4 802 B8R1.38 CCC(O)C1COC1 MCULE-1846989475 [0,0,0,1,0,0|2,0,0]=3 803 B8R1.38 NC(CO)C1CCC1 MCULE-1060557753 [0,0,0,1,0,0|3,0,0]=4 804 B8R1.38 NC(CO)C1CCC1 MCULE-4732995704 [0,0,0,1,0,0|3,0,0]=4 805 B8R1.38 NCC(O)C1CCC1 MCULE-3437732656 [0,0,0,1,0,0|3,0,0]=4 806 B8R1.38 NCC(O)C1CCC1 MCULE-3764801914 [0,0,0,1,0,0|3,0,0]=4 807 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-1191204694 [0,0,0,1,0,0|3,0,0]=4 808 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-4280800914 [0,0,0,1,0,0|3,0,0]=4 809 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-4912879577 [0,0,0,1,0,0|3,0,0]=4 810 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-8248389845 [0,0,0,1,0,0|3,0,0]=4 811 B8R1.38 N[C@H](CO)C1CCC1 MCULE-2165772919 [0,0,0,1,0,0|3,0,0]=4 812 B8R1.38 N[C@H](CO)C1CCC1 MCULE-5153627963 [0,0,0,1,0,0|3,0,0]=4 813 B8R1.38 N[C@H](CO)C1CCC1 MCULE-5389043091 [0,0,0,1,0,0|3,0,0]=4 814 B8R1.38 N[C@H](CO)C1CCC1 MCULE-7675577168 [0,0,0,1,0,0|3,0,0]=4 815 B8R1.38 N[C@H](CO)C1COC1 MCULE-3365163158 [0,0,0,1,0,0|2,0,0]=3 816 B8R1.38 N[C@H](CO)C1COC1 MCULE-4558714642 [0,0,0,1,0,0|2,0,0]=3 817 B8R1.38 OCC(O)C1CCC1 MCULE-5695655912 [0,0,0,1,0,0|2,0,0]=3 818 B8R1.39 CC1(CC1)C(O)CN MCULE-6261487507 [0,0,0,1,0,0|3,0,0]=4 819 B8R1.39 CC1(CC1)C(O)CO MCULE-9588411733 [0,0,0,1,0,0|2,0,0]=3 820 B8R1.39 OCC(O)C1(CC1)F MCULE-2454090628 [0,0,0,1,0,0|2,0,0]=3 821 B8R1.50 CC1CCC(C1O)O MCULE-3292232581 [0,0,0,1,0,0|2,0,0]=3 822 B8R1.50 NC1CCC(C1O)O MCULE-2902511864 [0,0,0,1,0,0|2,0,0]=3 823 B8R1.50 NC1CCC(C1O)O MCULE-2997796956 [0,0,0,1,0,0|2,0,0]=3 824 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-4654712954 [0,0,0,1,0,0|2,0,0]=3 825 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-4756579413 [0,0,0,1,0,0|2,0,0]=3 826 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-5386854672 [0,0,0,1,0,0|2,0,0]=3 827 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-8517121727 [0,0,0,1,0,0|2,0,0]=3 828 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-1001347318 [0,0,0,1,0,0|2,0,0]=3 829 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-3161518566 [0,0,0,1,0,0|2,0,0]=3 830 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-8097854840 [0,0,0,1,0,0|2,0,0]=3 831 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-9614047785 [0,0,0,1,0,0|2,0,0]=3 832 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-3397642974 [0,0,0,1,0,0|2,0,0]=3 833 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-5620525999 [0,0,0,1,0,0|2,0,0]=3 834 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-8393185418 [0,0,0,1,0,0|2,0,0]=3 835 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-9763920178 [0,0,0,1,0,0|2,0,0]=3 836 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,0,0,1,0,0|0,0,2]=3 837 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,0,0,1,0,0|1,0,2]=4 838 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,0,0,1,0,0|1,0,2]=4 839 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,0,0,1,0,0|0,0,2]=3 840 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,0,0,1,0,0|0,0,2]=3 841 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,0,0,1,0,0|0,0,2]=3 842 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,0,0,1,0,0|0,0,2]=3 843 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,0,0,1,0,0|0,0,2]=3 844 B8R1.50 OC1COC(C1O)O MCULE-2562953459 [0,0,0,1,0,0|0,0,0]=1 845 B8R1.50 OC1OC[C@@H]([C@H]1O)O MCULE-4484765937 [0,0,0,1,0,0|0,0,0]=1 846 B8R1.50 OC1OC[C@H]([C@@H]1O)O MCULE-4663451850 [0,0,0,1,0,0|0,0,0]=1 847 B8R0.19 CC(CO)CC(C)CO MCULE-5101558507 [0,0,0,0,0,1|2,0,0]=3 848 B8R0.19 CC(CO)NC(C)CO MCULE-9592229965 [0,0,0,0,0,1|2,0,0]=3 849 B8R0.19 CC(CO)N[C@H](C)CO MCULE-4785692482 [0,0,0,0,0,1|2,0,0]=3 850 B8R0.19 CC(CO)OC(C)CO MCULE-3894293331 [0,0,0,0,0,1|2,0,0]=3 851 B8R0.19 CC(CO)OC(C)CO MCULE-7387498325 [0,0,0,0,0,1|2,0,0]=3 852 B8R0.19 CCC(C)CC(C)CO MCULE-5737704972 [0,0,0,0,0,1|3,0,0]=4 853 B8R0.19 CCC(C)CC(N)CO MCULE-5344165944 [0,0,0,0,0,1|3,0,0]=4 854 B8R0.19 CCC(C)CC(N)CO MCULE-6408946943 [0,0,0,0,0,1|3,0,0]=4 855 B8R0.19 CCC(C)CC(O)CC MCULE-9706306627 [0,0,0,0,0,1|3,0,0]=4 856 B8R0.19 CCC(N)CC(C)CO MCULE-9757770228 [0,0,0,0,0,1|3,0,0]=4 857 B8R0.19 CCC(O)OC(O)CC MCULE-9298226682 [0,0,0,0,0,1|2,0,0]=3 858 B8R0.19 CC[C@@H](O)C[C@H](O)CC MCULE-8992338479 [0,0,0,0,0,1|2,0,0]=3 859 B8R0.19 CC[C@H](O)C[C@@H](O)CC MCULE-4286526192 [0,0,0,0,0,1|2,0,0]=3 860 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,0,0,0,0,1|0,0,2]=3 861 B5R0.1 C#CCC(C)O MCULE-2487589857 [2,0,0,0,0,0|1,0,1]=4 862 B5R0.1 C(C)(N)CCC MCULE-4800297905 [2,0,0,0,0,0|2,0,0]=4 863 B5R0.1 C(C)(N)CCC MCULE-7674864567 [2,0,0,0,0,0|2,0,0]=4 864 B5R0.1 C(C)(N)CCO MCULE-5545469271 [2,0,0,0,0,0|1,0,0]=3 865 B5R0.1 C=C(C)CCO MCULE-2689800711 [2,0,0,0,0,0|1,0,1]=4 866 B5R0.1 C=CCC(C)O MCULE-7724200334 [2,0,0,0,0,0|1,0,1]=4 867 B5R0.1 C=CCC(C)O MCULE-9910771503 [2,0,0,0,0,0|1,0,1]=4 868 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [2,0,0,0,0,0|1,0,1]=4 869 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [2,0,0,0,0,0|1,0,1]=4 870 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [2,0,0,0,0,0|1,0,1]=4 871 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [2,0,0,0,0,0|1,0,1]=4 872 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|0,0,2]=4 873 B5R0.1 CC(Br)CCBr MCULE-1045475402 [2,0,0,0,0,0|2,0,0]=4 874 B5R0.1 CC(C)CCBr MCULE-7163010428 [2,0,0,0,0,0|2,0,0]=4 875 B5R0.1 CC(C)CCCl MCULE-8360122696 [2,0,0,0,0,0|2,0,0]=4 876 B5R0.1 CC(C)CCCl MCULE-9017922949 [2,0,0,0,0,0|2,0,0]=4 877 B5R0.1 CC(C)CCI MCULE-4934529500 [2,0,0,0,0,0|2,0,0]=4 878 B5R0.1 CC(C)CCN MCULE-3081003576 [2,0,0,0,0,0|2,0,0]=4 879 B5R0.1 CC(C)CCN MCULE-5118782389 [2,0,0,0,0,0|2,0,0]=4 880 B5R0.1 CC(C)CCN MCULE-5217981670 [2,0,0,0,0,0|2,0,0]=4 881 B5R0.1 CC(C)CCN MCULE-6280940933 [2,0,0,0,0,0|2,0,0]=4 882 B5R0.1 CC(C)CCO MCULE-7411270401 [2,0,0,0,0,0|1,0,0]=3 883 B5R0.1 CC(C)CCS MCULE-7115473363 [2,0,0,0,0,0|1,1,0]=4 884 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [2,0,0,0,0,0|2,0,0]=4 885 B5R0.1 CC(Cl)CCO MCULE-1955496242 [2,0,0,0,0,0|1,0,0]=3 886 B5R0.1 CC(F)CCBr MCULE-3035340901 [2,0,0,0,0,0|2,0,0]=4 887 B5R0.1 CC(F)CCI MCULE-6469250150 [2,0,0,0,0,0|2,0,0]=4 888 B5R0.1 CC(F)CCN MCULE-2805813131 [2,0,0,0,0,0|2,0,0]=4 889 B5R0.1 CC(F)CCN MCULE-5849913362 [2,0,0,0,0,0|2,0,0]=4 890 B5R0.1 CC(N)CCN MCULE-5308134596 [2,0,0,0,0,0|2,0,0]=4 891 B5R0.1 CC(N)CCN MCULE-5880045507 [2,0,0,0,0,0|2,0,0]=4 892 B5R0.1 CC(N)CCN MCULE-7827515430 [2,0,0,0,0,0|2,0,0]=4 893 B5R0.1 CC(N)CCO MCULE-1771399942 [2,0,0,0,0,0|1,0,0]=3 894 B5R0.1 CC(N)CCO MCULE-7239872808 [2,0,0,0,0,0|1,0,0]=3 895 B5R0.1 CC(O)CC#N MCULE-7172428142 [2,0,0,0,0,0|1,0,1]=4 896 B5R0.1 CC(O)CCBr MCULE-7983169885 [2,0,0,0,0,0|1,0,0]=3 897 B5R0.1 CC(O)CCCl MCULE-2952545606 [2,0,0,0,0,0|1,0,0]=3 898 B5R0.1 CC(O)CCN MCULE-6836791276 [2,0,0,0,0,0|1,0,0]=3 899 B5R0.1 CC(O)CCN MCULE-7186260925 [2,0,0,0,0,0|1,0,0]=3 900 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|0,0,0]=2 901 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|0,0,0]=2 902 B5R0.1 CC(O)CNN MCULE-4956670781 [2,0,0,0,0,0|2,0,0]=4 903 B5R0.1 CC(O)CNN MCULE-7917439573 [2,0,0,0,0,0|2,0,0]=4 904 B5R0.1 CC(O)CON MCULE-1051091134 [2,0,0,0,0,0|2,0,0]=4 905 B5R0.1 CC(O)CON MCULE-6722092589 [2,0,0,0,0,0|2,0,0]=4 906 B5R0.1 CC(S)CCO MCULE-5702212503 [2,0,0,0,0,0|0,1,0]=3 907 B5R0.1 CCCB(O)O MCULE-4994980798 [2,0,0,0,0,0|2,0,0]=4 908 B5R0.1 CCCC(C)Br MCULE-3178073667 [2,0,0,0,0,0|2,0,0]=4 909 B5R0.1 CCCC(C)C MCULE-9604552974 [2,0,0,0,0,0|2,0,0]=4 910 B5R0.1 CCCC(C)N MCULE-2640298430 [2,0,0,0,0,0|2,0,0]=4 911 B5R0.1 CCCC(C)N MCULE-7225905167 [2,0,0,0,0,0|2,0,0]=4 912 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|1,0,0]=3 913 B5R0.1 CCCC(C)S MCULE-1649095713 [2,0,0,0,0,0|1,1,0]=4 914 B5R0.1 CCCC(O)Cl MCULE-3188577082 [2,0,0,0,0,0|2,0,0]=4 915 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [2,0,0,0,0,0|2,0,0]=4 916 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [2,0,0,0,0,0|2,0,0]=4 917 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [2,0,0,0,0,0|2,0,0]=4 918 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [2,0,0,0,0,0|2,0,0]=4 919 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|1,0,0]=3 920 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [2,0,0,0,0,0|2,0,0]=4 921 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [2,0,0,0,0,0|2,0,0]=4 922 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [2,0,0,0,0,0|2,0,0]=4 923 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [2,0,0,0,0,0|2,0,0]=4 924 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|1,0,0]=3 925 B5R0.1 CN(C)CCO MCULE-5715813465 [2,0,0,0,0,0|2,0,0]=4 926 B5R0.1 CN(C)CCO MCULE-7567469160 [2,0,0,0,0,0|2,0,0]=4 927 B5R0.1 CN(C)CCO MCULE-9024108074 [2,0,0,0,0,0|2,0,0]=4 928 B5R0.1 CNCC(C)O MCULE-3671071529 [2,0,0,0,0,0|2,0,0]=4 929 B5R0.1 CNCC(C)O MCULE-4171705304 [2,0,0,0,0,0|2,0,0]=4 930 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [2,0,0,0,0,0|2,0,0]=4 931 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [2,0,0,0,0,0|2,0,0]=4 932 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [2,0,0,0,0,0|2,0,0]=4 933 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [2,0,0,0,0,0|2,0,0]=4 934 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [2,0,0,0,0,0|2,0,0]=4 935 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [2,0,0,0,0,0|2,0,0]=4 936 B5R0.1 COCC(C)O MCULE-4022733014 [2,0,0,0,0,0|2,0,0]=4 937 B5R0.1 COCC(C)O MCULE-7513310960 [2,0,0,0,0,0|2,0,0]=4 938 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [2,0,0,0,0,0|2,0,0]=4 939 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [2,0,0,0,0,0|2,0,0]=4 940 B5R0.1 COC[C@H](C)O MCULE-5908531683 [2,0,0,0,0,0|2,0,0]=4 941 B5R0.1 COC[C@H](C)O MCULE-8619138238 [2,0,0,0,0,0|2,0,0]=4 942 B5R0.1 CS(=O)CCO MCULE-8331553582 [2,0,0,0,0,0|1,0,1]=4 943 B5R0.1 CSCC(C)O MCULE-2227652351 [2,0,0,0,0,0|2,0,0]=4 944 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [2,0,0,0,0,0|1,0,0]=3 945 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [2,0,0,0,0,0|1,0,0]=3 946 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [2,0,0,0,0,0|1,0,1]=4 947 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [2,0,0,0,0,0|1,0,0]=3 948 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [2,0,0,0,0,0|1,0,0]=3 949 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [2,0,0,0,0,0|1,0,0]=3 950 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [2,0,0,0,0,0|1,0,0]=3 951 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|0,0,0]=2 952 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|0,0,0]=2 953 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [2,0,0,0,0,0|2,0,0]=4 954 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [2,0,0,0,0,0|2,0,0]=4 955 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [2,0,0,0,0,0|1,0,0]=3 956 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [2,0,0,0,0,0|1,0,0]=3 957 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [2,0,0,0,0,0|1,0,0]=3 958 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [2,0,0,0,0,0|1,0,0]=3 959 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [2,0,0,0,0,0|1,0,1]=4 960 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [2,0,0,0,0,0|1,0,0]=3 961 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [2,0,0,0,0,0|1,0,0]=3 962 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|0,0,0]=2 963 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|0,0,0]=2 964 B5R0.1 C[C@H](O)CON MCULE-4216605221 [2,0,0,0,0,0|2,0,0]=4 965 B5R0.1 C[C@H](O)CON MCULE-9863094719 [2,0,0,0,0,0|2,0,0]=4 966 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [2,0,0,0,0,0|1,0,1]=4 967 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|0,0,2]=4 968 B5R0.1 OCCC(F)F MCULE-9207688926 [2,0,0,0,0,0|2,0,0]=4 969 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|1,0,0]=3 970 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [2,0,0,0,0,0|2,0,0]=4 971 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [2,0,0,0,0,0|1,0,1]=4 972 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|1,0,0]=3 973 B5R0.2 BrCCCCBr MCULE-5088378536 [2,0,0,0,0,0|2,0,0]=4 974 B5R0.2 C#CCCCO MCULE-6360852809 [2,0,0,0,0,0|1,0,1]=4 975 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|1,0,1]=4 976 B5R0.2 CCCCCBr MCULE-8513521912 [2,0,0,0,0,0|2,0,0]=4 977 B5R0.2 CCCCCC MCULE-3465692202 [2,0,0,0,0,0|2,0,0]=4 978 B5R0.2 CCCCCCl MCULE-4412759460 [2,0,0,0,0,0|2,0,0]=4 979 B5R0.2 CCCCCF MCULE-6399883281 [2,0,0,0,0,0|2,0,0]=4 980 B5R0.2 CCCCCI MCULE-4590300793 [2,0,0,0,0,0|2,0,0]=4 981 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|2,0,0]=4 982 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|2,0,0]=4 983 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|2,0,0]=4 984 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|2,0,0]=4 985 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|1,0,0]=3 986 B5R0.2 CCCCCS MCULE-5476379340 [2,0,0,0,0,0|1,1,0]=4 987 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|2,0,0]=4 988 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|2,0,0]=4 989 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|2,0,0]=4 990 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|2,0,0]=4 991 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|2,0,0]=4 992 B5R0.2 CCSCCO MCULE-3557086162 [2,0,0,0,0,0|2,0,0]=4 993 B5R0.2 CNCCCO MCULE-9530478547 [2,0,0,0,0,0|2,0,0]=4 994 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|2,0,0]=4 995 B5R0.2 CSCCCO MCULE-9232413185 [2,0,0,0,0,0|2,0,0]=4 996 B5R0.2 ClCCCCBr MCULE-7973194927 [2,0,0,0,0,0|2,0,0]=4 997 B5R0.2 ClCCCCCl MCULE-4863501782 [2,0,0,0,0,0|2,0,0]=4 998 B5R0.2 ClCCCCI MCULE-4303507089 [2,0,0,0,0,0|2,0,0]=4 999 B5R0.2 FCCCCBr MCULE-8408956872 [2,0,0,0,0,0|2,0,0]=4 1000 B5R0.2 FCCCCF MCULE-1347438150 [2,0,0,0,0,0|2,0,0]=4 1001 B5R0.2 ICCCCI MCULE-1390457250 [2,0,0,0,0,0|2,0,0]=4 1002 B5R0.2 N#CCCCO MCULE-2108386837 [2,0,0,0,0,0|1,0,1]=4 1003 B5R0.2 NCCCCBr MCULE-7095299053 [2,0,0,0,0,0|2,0,0]=4 1004 B5R0.2 NCCCCBr MCULE-7716027825 [2,0,0,0,0,0|2,0,0]=4 1005 B5R0.2 NCCCCCl MCULE-8484381726 [2,0,0,0,0,0|2,0,0]=4 1006 B5R0.2 NCCCCCl MCULE-9917306082 [2,0,0,0,0,0|2,0,0]=4 1007 B5R0.2 NCCCCF MCULE-4260727945 [2,0,0,0,0,0|2,0,0]=4 1008 B5R0.2 NCCCCF MCULE-7716720921 [2,0,0,0,0,0|2,0,0]=4 1009 B5R0.2 NCCCCN MCULE-3098044935 [2,0,0,0,0,0|2,0,0]=4 1010 B5R0.2 NCCCCN MCULE-7898833229 [2,0,0,0,0,0|2,0,0]=4 1011 B5R0.2 NCCCCN MCULE-8029479697 [2,0,0,0,0,0|2,0,0]=4 1012 B5R0.2 NCCCCN MCULE-8509656776 [2,0,0,0,0,0|2,0,0]=4 1013 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|1,0,0]=3 1014 B5R0.2 NCCCCS MCULE-4353910418 [2,0,0,0,0,0|1,1,0]=4 1015 B5R0.2 NCCCCS MCULE-9812416858 [2,0,0,0,0,0|1,1,0]=4 1016 B5R0.2 NNCCCO MCULE-5557482626 [2,0,0,0,0,0|2,0,0]=4 1017 B5R0.2 NNCCCO MCULE-7351853032 [2,0,0,0,0,0|2,0,0]=4 1018 B5R0.2 NNCCCO MCULE-7919314403 [2,0,0,0,0,0|2,0,0]=4 1019 B5R0.2 NOCCCO MCULE-1072312935 [2,0,0,0,0,0|2,0,0]=4 1020 B5R0.2 NOCCCO MCULE-3715520109 [2,0,0,0,0,0|2,0,0]=4 1021 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|0,0,2]=4 1022 B5R0.2 OC/C=C/CO MCULE-4752272005 [2,0,0,0,0,0|0,0,2]=4 1023 B5R0.2 OC/C=C\CO MCULE-2695577582 [2,0,0,0,0,0|0,0,2]=4 1024 B5R0.2 OCC#CCO MCULE-2650636766 [2,0,0,0,0,0|0,0,2]=4 1025 B5R0.2 OCC=CCO MCULE-9559211408 [2,0,0,0,0,0|0,0,2]=4 1026 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|1,0,0]=3 1027 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|1,0,0]=3 1028 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|1,0,0]=3 1029 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|1,0,0]=3 1030 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|0,0,0]=2 1031 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|0,0,0]=2 1032 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|0,1,0]=3 1033 B5R0.2 OCCNCO MCULE-2141033453 [2,0,0,0,0,0|1,0,0]=3 1034 B5R0.2 SCCCCS MCULE-6695609899 [2,0,0,0,0,0|0,2,0]=4 1035 B5R0.3 C#CC(O)CC MCULE-9890863731 [2,0,0,0,0,0|1,0,1]=4 1036 B5R0.3 C=C(CC)CO MCULE-8127766352 [2,0,0,0,0,0|1,0,1]=4 1037 B5R0.3 C=C(CO)CO MCULE-2682601949 [2,0,0,0,0,0|1,0,1]=4 1038 B5R0.3 C=CC(O)CC MCULE-2794806228 [2,0,0,0,0,0|1,0,1]=4 1039 B5R0.3 C=CC(O)CO MCULE-6172654550 [2,0,0,0,0,0|0,0,2]=4 1040 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [2,0,0,0,0,0|0,0,2]=4 1041 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [2,0,0,0,0,0|0,0,2]=4 1042 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [2,0,0,0,0,0|0,0,2]=4 1043 B5R0.3 CC(CN)CO MCULE-5880795484 [2,0,0,0,0,0|2,0,0]=4 1044 B5R0.3 CC(CN)CO MCULE-8083007887 [2,0,0,0,0,0|2,0,0]=4 1045 B5R0.3 CC(CO)CBr MCULE-3815333295 [2,0,0,0,0,0|2,0,0]=4 1046 B5R0.3 CC(CO)CBr MCULE-5695891877 [2,0,0,0,0,0|2,0,0]=4 1047 B5R0.3 CC(CO)CO MCULE-2340730326 [2,0,0,0,0,0|1,0,0]=3 1048 B5R0.3 CC(CO)CS MCULE-1990992504 [2,0,0,0,0,0|1,1,0]=4 1049 B5R0.3 CCC(=O)CO MCULE-8674894820 [2,0,0,0,0,0|0,0,2]=4 1050 B5R0.3 CCC(Br)CBr MCULE-5254958560 [2,0,0,0,0,0|2,0,0]=4 1051 B5R0.3 CCC(Br)CC MCULE-7435628721 [2,0,0,0,0,0|2,0,0]=4 1052 B5R0.3 CCC(Br)CO MCULE-7211805716 [2,0,0,0,0,0|1,0,0]=3 1053 B5R0.3 CCC(C)CBr MCULE-5451416952 [2,0,0,0,0,0|2,0,0]=4 1054 B5R0.3 CCC(C)CC MCULE-2542807917 [2,0,0,0,0,0|2,0,0]=4 1055 B5R0.3 CCC(C)CCl MCULE-7450386476 [2,0,0,0,0,0|2,0,0]=4 1056 B5R0.3 CCC(C)CI MCULE-5444509280 [2,0,0,0,0,0|2,0,0]=4 1057 B5R0.3 CCC(C)CN MCULE-2777327284 [2,0,0,0,0,0|2,0,0]=4 1058 B5R0.3 CCC(C)CN MCULE-7014901600 [2,0,0,0,0,0|2,0,0]=4 1059 B5R0.3 CCC(C)CO MCULE-6521026296 [2,0,0,0,0,0|1,0,0]=3 1060 B5R0.3 CCC(C)CS MCULE-7795095685 [2,0,0,0,0,0|1,1,0]=4 1061 B5R0.3 CCC(C)NO MCULE-1247092627 [2,0,0,0,0,0|2,0,0]=4 1062 B5R0.3 CCC(C)NO MCULE-6169819668 [2,0,0,0,0,0|2,0,0]=4 1063 B5R0.3 CCC(Cl)CCl MCULE-5122022797 [2,0,0,0,0,0|2,0,0]=4 1064 B5R0.3 CCC(Cl)CO MCULE-1756262629 [2,0,0,0,0,0|1,0,0]=3 1065 B5R0.3 CCC(F)CBr MCULE-3226052264 [2,0,0,0,0,0|2,0,0]=4 1066 B5R0.3 CCC(F)CN MCULE-1291385596 [2,0,0,0,0,0|2,0,0]=4 1067 B5R0.3 CCC(F)CN MCULE-7421331323 [2,0,0,0,0,0|2,0,0]=4 1068 B5R0.3 CCC(I)CC MCULE-1119844552 [2,0,0,0,0,0|2,0,0]=4 1069 B5R0.3 CCC(N)CBr MCULE-3567691924 [2,0,0,0,0,0|2,0,0]=4 1070 B5R0.3 CCC(N)CC MCULE-4261937519 [2,0,0,0,0,0|2,0,0]=4 1071 B5R0.3 CCC(N)CC MCULE-5899128891 [2,0,0,0,0,0|2,0,0]=4 1072 B5R0.3 CCC(N)CN MCULE-6911484065 [2,0,0,0,0,0|2,0,0]=4 1073 B5R0.3 CCC(N)CN MCULE-8376506697 [2,0,0,0,0,0|2,0,0]=4 1074 B5R0.3 CCC(N)CO MCULE-1135809021 [2,0,0,0,0,0|1,0,0]=3 1075 B5R0.3 CCC(N)CO MCULE-7588854111 [2,0,0,0,0,0|1,0,0]=3 1076 B5R0.3 CCC(O)C#N MCULE-5389816542 [2,0,0,0,0,0|1,0,1]=4 1077 B5R0.3 CCC(O)CBr MCULE-4205031860 [2,0,0,0,0,0|1,0,0]=3 1078 B5R0.3 CCC(O)CC MCULE-5553645045 [2,0,0,0,0,0|1,0,0]=3 1079 B5R0.3 CCC(O)CCl MCULE-8359810208 [2,0,0,0,0,0|1,0,0]=3 1080 B5R0.3 CCC(O)CN MCULE-5197026448 [2,0,0,0,0,0|1,0,0]=3 1081 B5R0.3 CCC(O)CO MCULE-2488753438 [2,0,0,0,0,0|0,0,0]=2 1082 B5R0.3 CCC(O)CO MCULE-7297282094 [2,0,0,0,0,0|0,0,0]=2 1083 B5R0.3 CCC(S)CC MCULE-2556259434 [2,0,0,0,0,0|1,1,0]=4 1084 B5R0.3 CCC(S)CS MCULE-9332449950 [2,0,0,0,0,0|0,2,0]=4 1085 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [2,0,0,0,0,0|2,0,0]=4 1086 B5R0.3 CCN(O)CC MCULE-6022935768 [2,0,0,0,0,0|2,0,0]=4 1087 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [2,0,0,0,0,0|2,0,0]=4 1088 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [2,0,0,0,0,0|2,0,0]=4 1089 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [2,0,0,0,0,0|1,0,0]=3 1090 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [2,0,0,0,0,0|1,0,0]=3 1091 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [2,0,0,0,0,0|1,0,0]=3 1092 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [2,0,0,0,0,0|1,0,0]=3 1093 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [2,0,0,0,0,0|1,0,0]=3 1094 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [2,0,0,0,0,0|1,0,0]=3 1095 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [2,0,0,0,0,0|0,0,0]=2 1096 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [2,0,0,0,0,0|0,0,0]=2 1097 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [2,0,0,0,0,0|2,0,0]=4 1098 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [2,0,0,0,0,0|2,0,0]=4 1099 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [2,0,0,0,0,0|2,0,0]=4 1100 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [2,0,0,0,0,0|2,0,0]=4 1101 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [2,0,0,0,0,0|2,0,0]=4 1102 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [2,0,0,0,0,0|2,0,0]=4 1103 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [2,0,0,0,0,0|2,0,0]=4 1104 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [2,0,0,0,0,0|2,0,0]=4 1105 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [2,0,0,0,0,0|2,0,0]=4 1106 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [2,0,0,0,0,0|1,0,0]=3 1107 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [2,0,0,0,0,0|1,0,0]=3 1108 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [2,0,0,0,0,0|2,0,0]=4 1109 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [2,0,0,0,0,0|2,0,0]=4 1110 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [2,0,0,0,0,0|1,0,0]=3 1111 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [2,0,0,0,0,0|1,0,0]=3 1112 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [2,0,0,0,0,0|1,0,0]=3 1113 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [2,0,0,0,0,0|0,0,0]=2 1114 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [2,0,0,0,0,0|0,0,0]=2 1115 B5R0.3 CNC(C)CO MCULE-3841057780 [2,0,0,0,0,0|2,0,0]=4 1116 B5R0.3 CNC(C)CO MCULE-6474892275 [2,0,0,0,0,0|2,0,0]=4 1117 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [2,0,0,0,0,0|2,0,0]=4 1118 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [2,0,0,0,0,0|2,0,0]=4 1119 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [2,0,0,0,0,0|2,0,0]=4 1120 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [2,0,0,0,0,0|2,0,0]=4 1121 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [2,0,0,0,0,0|2,0,0]=4 1122 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [2,0,0,0,0,0|2,0,0]=4 1123 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [2,0,0,0,0,0|2,0,0]=4 1124 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [2,0,0,0,0,0|2,0,0]=4 1125 B5R0.3 COC(C)CO MCULE-5269990702 [2,0,0,0,0,0|2,0,0]=4 1126 B5R0.3 COC(C)CO MCULE-7173093332 [2,0,0,0,0,0|2,0,0]=4 1127 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [2,0,0,0,0,0|2,0,0]=4 1128 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [2,0,0,0,0,0|2,0,0]=4 1129 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [2,0,0,0,0,0|2,0,0]=4 1130 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [2,0,0,0,0,0|2,0,0]=4 1131 B5R0.3 CSC(C)CO MCULE-4646435737 [2,0,0,0,0,0|2,0,0]=4 1132 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [2,0,0,0,0,0|2,0,0]=4 1133 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [2,0,0,0,0,0|2,0,0]=4 1134 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [2,0,0,0,0,0|2,0,0]=4 1135 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [2,0,0,0,0,0|2,0,0]=4 1136 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [2,0,0,0,0,0|2,0,0]=4 1137 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [2,0,0,0,0,0|2,0,0]=4 1138 B5R0.3 NC(CO)CF MCULE-3756808200 [2,0,0,0,0,0|2,0,0]=4 1139 B5R0.3 NC(CO)CF MCULE-9468719402 [2,0,0,0,0,0|2,0,0]=4 1140 B5R0.3 NC(CO)CO MCULE-1559988016 [2,0,0,0,0,0|1,0,0]=3 1141 B5R0.3 NC(CO)CO MCULE-4954119952 [2,0,0,0,0,0|1,0,0]=3 1142 B5R0.3 NCC(F)CO MCULE-6156319956 [2,0,0,0,0,0|2,0,0]=4 1143 B5R0.3 NCC(F)CO MCULE-7472307328 [2,0,0,0,0,0|2,0,0]=4 1144 B5R0.3 NCC(O)CCl MCULE-1566349721 [2,0,0,0,0,0|2,0,0]=4 1145 B5R0.3 NCC(O)CCl MCULE-3532626994 [2,0,0,0,0,0|2,0,0]=4 1146 B5R0.3 NCC(O)CCl MCULE-5045913208 [2,0,0,0,0,0|2,0,0]=4 1147 B5R0.3 NCC(O)CCl MCULE-7168455596 [2,0,0,0,0,0|2,0,0]=4 1148 B5R0.3 NCC(O)CF MCULE-7529777116 [2,0,0,0,0,0|2,0,0]=4 1149 B5R0.3 NCC(O)CF MCULE-8092861019 [2,0,0,0,0,0|2,0,0]=4 1150 B5R0.3 NCC(O)CN MCULE-4689186078 [2,0,0,0,0,0|2,0,0]=4 1151 B5R0.3 NCC(O)CO MCULE-2689763818 [2,0,0,0,0,0|1,0,0]=3 1152 B5R0.3 NCC(O)CO MCULE-6096620010 [2,0,0,0,0,0|1,0,0]=3 1153 B5R0.3 NCC(O)CO MCULE-7307777212 [2,0,0,0,0,0|1,0,0]=3 1154 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [2,0,0,0,0,0|2,0,0]=4 1155 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [2,0,0,0,0,0|2,0,0]=4 1156 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [2,0,0,0,0,0|2,0,0]=4 1157 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [2,0,0,0,0,0|2,0,0]=4 1158 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [2,0,0,0,0,0|2,0,0]=4 1159 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [2,0,0,0,0,0|2,0,0]=4 1160 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [2,0,0,0,0,0|2,0,0]=4 1161 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [2,0,0,0,0,0|2,0,0]=4 1162 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [2,0,0,0,0,0|1,0,0]=3 1163 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [2,0,0,0,0,0|1,0,0]=3 1164 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [2,0,0,0,0,0|1,0,0]=3 1165 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [2,0,0,0,0,0|2,0,0]=4 1166 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [2,0,0,0,0,0|2,0,0]=4 1167 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [2,0,0,0,0,0|2,0,0]=4 1168 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [2,0,0,0,0,0|2,0,0]=4 1169 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [2,0,0,0,0,0|2,0,0]=4 1170 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [2,0,0,0,0,0|2,0,0]=4 1171 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [2,0,0,0,0,0|2,0,0]=4 1172 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [2,0,0,0,0,0|2,0,0]=4 1173 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [2,0,0,0,0,0|2,0,0]=4 1174 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [2,0,0,0,0,0|1,0,0]=3 1175 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [2,0,0,0,0,0|1,0,0]=3 1176 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [2,0,0,0,0,0|1,0,0]=3 1177 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [2,0,0,0,0,0|1,0,0]=3 1178 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [2,0,0,0,0,0|2,0,0]=4 1179 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [2,0,0,0,0,0|2,0,0]=4 1180 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [2,0,0,0,0,0|2,0,0]=4 1181 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [2,0,0,0,0,0|2,0,0]=4 1182 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [2,0,0,0,0,0|2,0,0]=4 1183 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [2,0,0,0,0,0|2,0,0]=4 1184 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [2,0,0,0,0,0|2,0,0]=4 1185 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [2,0,0,0,0,0|2,0,0]=4 1186 B5R0.3 O=C(CO)CO MCULE-7188810449 [2,0,0,0,0,0|0,0,2]=4 1187 B5R0.3 O=CC(O)CO MCULE-9581740191 [2,0,0,0,0,0|0,0,2]=4 1188 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [2,0,0,0,0,0|0,0,2]=4 1189 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [2,0,0,0,0,0|0,0,2]=4 1190 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [2,0,0,0,0,0|0,0,2]=4 1191 B5R0.3 OC(CBr)CBr MCULE-9071238259 [2,0,0,0,0,0|2,0,0]=4 1192 B5R0.3 OC(CCl)CBr MCULE-3844020597 [2,0,0,0,0,0|2,0,0]=4 1193 B5R0.3 OC(CCl)CCl MCULE-7873018520 [2,0,0,0,0,0|2,0,0]=4 1194 B5R0.3 OC(CCl)CI MCULE-3276637880 [2,0,0,0,0,0|2,0,0]=4 1195 B5R0.3 OC(CF)CBr MCULE-3915880352 [2,0,0,0,0,0|2,0,0]=4 1196 B5R0.3 OC(CF)CCl MCULE-6441743377 [2,0,0,0,0,0|2,0,0]=4 1197 B5R0.3 OC(CF)CF MCULE-3360341794 [2,0,0,0,0,0|2,0,0]=4 1198 B5R0.3 OC(CI)CI MCULE-6842895270 [2,0,0,0,0,0|2,0,0]=4 1199 B5R0.3 OCC(Br)CBr MCULE-9616107956 [2,0,0,0,0,0|2,0,0]=4 1200 B5R0.3 OCC(Br)CO MCULE-9272628834 [2,0,0,0,0,0|1,0,0]=3 1201 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [2,0,0,0,0,0|2,0,0]=4 1202 B5R0.3 OCC(Cl)CO MCULE-7487945326 [2,0,0,0,0,0|1,0,0]=3 1203 B5R0.3 OCC(F)CBr MCULE-2889937576 [2,0,0,0,0,0|2,0,0]=4 1204 B5R0.3 OCC(F)CO MCULE-2970537690 [2,0,0,0,0,0|1,0,0]=3 1205 B5R0.3 OCC(O)CBr MCULE-9116190245 [2,0,0,0,0,0|1,0,0]=3 1206 B5R0.3 OCC(O)CCl MCULE-7895191088 [2,0,0,0,0,0|1,0,0]=3 1207 B5R0.3 OCC(O)CCl MCULE-8992242488 [2,0,0,0,0,0|1,0,0]=3 1208 B5R0.3 OCC(O)CF MCULE-3575952891 [2,0,0,0,0,0|1,0,0]=3 1209 B5R0.3 OCC(O)CF MCULE-8981430411 [2,0,0,0,0,0|1,0,0]=3 1210 B5R0.3 OCC(O)CI MCULE-6705992930 [2,0,0,0,0,0|1,0,0]=3 1211 B5R0.3 OCC(O)CO MCULE-6349111826 [2,0,0,0,0,0|0,0,0]=2 1212 B5R0.3 OCC(O)CS MCULE-6300188207 [2,0,0,0,0,0|0,1,0]=3 1213 B5R0.3 OCC(S)CS MCULE-9735516119 [2,0,0,0,0,0|0,2,0]=4 1214 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [2,0,0,0,0,0|1,0,0]=3 1215 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [2,0,0,0,0,0|1,0,0]=3 1216 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [2,0,0,0,0,0|1,0,0]=3 1217 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [2,0,0,0,0,0|1,0,0]=3 1218 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [2,0,0,0,0,0|1,0,0]=3 1219 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [2,0,0,0,0,0|1,0,0]=3 1220 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [2,0,0,0,0,0|1,0,0]=3 1221 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [2,0,0,0,0,0|1,0,0]=3 1222 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [2,0,0,0,0,0|1,0,0]=3 1223 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [2,0,0,0,0,0|2,0,0]=4 1224 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [2,0,0,0,0,0|2,0,0]=4 1225 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [2,0,0,0,0,0|2,0,0]=4 1226 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [2,0,0,0,0,0|2,0,0]=4 1227 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [2,0,0,0,0,0|1,0,1]=4 1228 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [2,0,0,0,0,0|0,0,2]=4 1229 B5R0.5 CC(Br)C(C)Br MCULE-8272754345 [2,0,0,0,0,0|2,0,0]=4 1230 B5R0.5 CC(C)B(O)O MCULE-1255589444 [2,0,0,0,0,0|2,0,0]=4 1231 B5R0.5 CC(C)C(C)Br MCULE-8934980523 [2,0,0,0,0,0|2,0,0]=4 1232 B5R0.5 CC(C)C(C)C MCULE-7887644548 [2,0,0,0,0,0|2,0,0]=4 1233 B5R0.5 CC(C)C(C)I MCULE-7528764320 [2,0,0,0,0,0|2,0,0]=4 1234 B5R0.5 CC(C)C(C)N MCULE-1630754475 [2,0,0,0,0,0|2,0,0]=4 1235 B5R0.5 CC(C)C(C)N MCULE-1801901816 [2,0,0,0,0,0|2,0,0]=4 1236 B5R0.5 CC(C)C(C)N MCULE-3544463874 [2,0,0,0,0,0|2,0,0]=4 1237 B5R0.5 CC(C)C(C)N MCULE-4774844065 [2,0,0,0,0,0|2,0,0]=4 1238 B5R0.5 CC(C)C(C)O MCULE-4829392845 [2,0,0,0,0,0|1,0,0]=3 1239 B5R0.5 CC(C)C(C)S MCULE-7489203323 [2,0,0,0,0,0|1,1,0]=4 1240 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [2,0,0,0,0,0|2,0,0]=4 1241 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [2,0,0,0,0,0|2,0,0]=4 1242 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [2,0,0,0,0,0|2,0,0]=4 1243 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [2,0,0,0,0,0|1,0,0]=3 1244 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [2,0,0,0,0,0|2,0,0]=4 1245 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [2,0,0,0,0,0|2,0,0]=4 1246 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [2,0,0,0,0,0|2,0,0]=4 1247 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [2,0,0,0,0,0|1,0,0]=3 1248 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [2,0,0,0,0,0|1,0,0]=3 1249 B5R0.5 CC(Cl)C(C)Cl MCULE-6954506926 [2,0,0,0,0,0|2,0,0]=4 1250 B5R0.5 CC(N)C(C)N MCULE-6724099648 [2,0,0,0,0,0|2,0,0]=4 1251 B5R0.5 CC(N)C(C)O MCULE-3512899672 [2,0,0,0,0,0|1,0,0]=3 1252 B5R0.5 CC(N)C(C)O MCULE-6286987696 [2,0,0,0,0,0|1,0,0]=3 1253 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [2,0,0,0,0,0|0,0,2]=4 1254 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [2,0,0,0,0,0|0,0,2]=4 1255 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [2,0,0,0,0,0|1,0,0]=3 1256 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [2,0,0,0,0,0|1,0,0]=3 1257 B5R0.5 CC(O)C(C)O MCULE-2858785316 [2,0,0,0,0,0|0,0,0]=2 1258 B5R0.5 CC(O)C(C)S MCULE-3741743569 [2,0,0,0,0,0|0,1,0]=3 1259 B5R0.5 CC(O)C(F)F MCULE-1258374037 [2,0,0,0,0,0|2,0,0]=4 1260 B5R0.5 CC(S)C(C)S MCULE-3508721208 [2,0,0,0,0,0|0,2,0]=4 1261 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [2,0,0,0,0,0|2,0,0]=4 1262 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [2,0,0,0,0,0|1,0,0]=3 1263 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [2,0,0,0,0,0|1,0,0]=3 1264 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [2,0,0,0,0,0|1,0,0]=3 1265 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [2,0,0,0,0,0|1,0,0]=3 1266 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [2,0,0,0,0,0|1,0,0]=3 1267 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [2,0,0,0,0,0|0,0,2]=4 1268 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [2,0,0,0,0,0|0,0,2]=4 1269 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [2,0,0,0,0,0|0,0,0]=2 1270 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [2,0,0,0,0,0|0,0,0]=2 1271 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [2,0,0,0,0,0|0,0,0]=2 1272 B5R0.5 C[C@H](Br)[C@@H](C)Br MCULE-7263507123 [2,0,0,0,0,0|2,0,0]=4 1273 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [2,0,0,0,0,0|1,0,0]=3 1274 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [2,0,0,0,0,0|1,0,0]=3 1275 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [2,0,0,0,0,0|2,0,0]=4 1276 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [2,0,0,0,0,0|1,0,0]=3 1277 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [2,0,0,0,0,0|1,0,0]=3 1278 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [2,0,0,0,0,0|1,0,0]=3 1279 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [2,0,0,0,0,0|1,0,0]=3 1280 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [2,0,0,0,0,0|0,0,2]=4 1281 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [2,0,0,0,0,0|0,0,2]=4 1282 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [2,0,0,0,0,0|1,0,0]=3 1283 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [2,0,0,0,0,0|1,0,0]=3 1284 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [2,0,0,0,0,0|1,0,0]=3 1285 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [2,0,0,0,0,0|1,0,0]=3 1286 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [2,0,0,0,0,0|0,0,0]=2 1287 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [2,0,0,0,0,0|0,0,0]=2 1288 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [2,0,0,0,0,0|0,0,0]=2 1289 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [2,0,0,0,0,0|0,1,0]=3 1290 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [2,0,0,0,0,0|0,0,2]=4 1291 B5R0.5 OB(O)B(O)O MCULE-4651285370 [2,0,0,0,0,0|2,0,0]=4 1292 B5R0.5 OC(O)C(Cl)Cl MCULE-3363992346 [2,0,0,0,0,0|2,0,0]=4 1293 B5R0.5 [NH3+]C(C)C(C)[NH3+] MCULE-4215582247 [2,0,0,0,0,0|2,0,0]=4 1294 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,1,0,0,0,0|1,0,1]=4 1295 B7R0.2 CC(C)CC(C)CO MCULE-5856507691 [1,1,0,0,0,0|2,0,0]=4 1296 B7R0.2 CC(C)CC(N)CO MCULE-6347344178 [1,1,0,0,0,0|2,0,0]=4 1297 B7R0.2 CC(C)CC(N)CO MCULE-7024759986 [1,1,0,0,0,0|2,0,0]=4 1298 B7R0.2 CC(C)CC(O)CN MCULE-9414833333 [1,1,0,0,0,0|2,0,0]=4 1299 B7R0.2 CC(C)CC(O)CN MCULE-9784331526 [1,1,0,0,0,0|2,0,0]=4 1300 B7R0.2 CC(C)C[C@@H](N)CO MCULE-1979401982 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.2 CC(C)C[C@@H](N)CO MCULE-3025407298 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.2 CC(C)C[C@H](N)CO MCULE-2790872575 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.2 CC(C)C[C@H](N)CO MCULE-9198147139 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.2 CC(CO)CC(F)F MCULE-1470130605 [1,1,0,0,0,0|2,0,0]=4 1305 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [1,1,0,0,0,0|2,0,0]=4 1307 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,1,0,0,0,0|1,0,1]=4 1308 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [1,1,0,0,0,0|1,0,0]=3 1309 B7R0.2 CN(C)CC(O)CO MCULE-3436894516 [1,1,0,0,0,0|2,0,0]=4 1310 B7R0.2 CN(C)C[C@@H](O)CO MCULE-7101033572 [1,1,0,0,0,0|2,0,0]=4 1311 B7R0.2 CN(C)C[C@H](O)CO MCULE-4297947949 [1,1,0,0,0,0|2,0,0]=4 1312 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,1,0,0,0,0|1,0,1]=4 1313 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,1,0,0,0,0|1,0,1]=4 1314 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,1,0,0,0,0|1,0,1]=4 1315 B7R0.2 NC(CO)CC(F)F MCULE-5033329865 [1,1,0,0,0,0|2,0,0]=4 1316 B7R0.2 NC(CO)CC(F)F MCULE-6986507912 [1,1,0,0,0,0|2,0,0]=4 1317 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,1,0,0,0,0|1,0,1]=4 1318 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,1,0,0,0,0|1,0,1]=4 1319 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,1,0,0,0,0|1,0,1]=4 1320 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,1,0,0,0,0|1,0,1]=4 1321 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,1,0,0,0,0|1,0,1]=4 1322 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,1,0,0,0,0|1,0,1]=4 1323 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,1,0,0,0,0|1,0,1]=4 1324 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,1,0,0,0,0|1,0,1]=4 1325 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,1,0,0,0,0|1,0,1]=4 1326 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,1,0,0,0,0|0,0,1]=3 1327 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,1,0,0,0,0|0,0,1]=3 1328 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [1,1,0,0,0,0|0,0,2]=4 1329 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [1,1,0,0,0,0|0,0,2]=4 1330 B7R0.3 C#CCCC(O)CC MCULE-2969540863 [1,1,0,0,0,0|2,0,0]=4 1331 B7R0.3 C#CCCC(O)CN MCULE-7845137108 [1,1,0,0,0,0|2,0,0]=4 1332 B7R0.3 C#CCC[C@@H](N)CO MCULE-6761945465 [1,1,0,0,0,0|2,0,0]=4 1333 B7R0.3 C#CCC[C@@H](N)CO MCULE-9589288760 [1,1,0,0,0,0|2,0,0]=4 1334 B7R0.3 C#CCC[C@H](N)CO MCULE-5308019604 [1,1,0,0,0,0|2,0,0]=4 1335 B7R0.3 C#CCC[C@H](N)CO MCULE-7191637286 [1,1,0,0,0,0|2,0,0]=4 1336 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [1,1,0,0,0,0|2,0,0]=4 1337 B7R0.3 C=CCCC(O)CC MCULE-1265881694 [1,1,0,0,0,0|2,0,0]=4 1338 B7R0.3 C=CCCC(O)CCl MCULE-2554338674 [1,1,0,0,0,0|2,0,0]=4 1339 B7R0.3 C=CCCC(O)CN MCULE-4695723420 [1,1,0,0,0,0|2,0,0]=4 1340 B7R0.3 C=CCC[C@@H](O)CO MCULE-6352864696 [1,1,0,0,0,0|1,0,0]=3 1341 B7R0.3 CC(CN)CCCO MCULE-2908684674 [1,1,0,0,0,0|2,0,0]=4 1342 B7R0.3 CC(CN)CCCO MCULE-5608783947 [1,1,0,0,0,0|2,0,0]=4 1343 B7R0.3 CC(CN)CCCO MCULE-9269954426 [1,1,0,0,0,0|2,0,0]=4 1344 B7R0.3 CC(CO)CCCO MCULE-8589885622 [1,1,0,0,0,0|1,0,0]=3 1345 B7R0.3 CC(CO)NCCO MCULE-5180763491 [1,1,0,0,0,0|1,0,0]=3 1346 B7R0.3 CCC(C)CCCO MCULE-2323419626 [1,1,0,0,0,0|2,0,0]=4 1347 B7R0.3 CCC(C)NCCO MCULE-1340916666 [1,1,0,0,0,0|2,0,0]=4 1348 B7R0.3 CCC(N)CCCO MCULE-3868205501 [1,1,0,0,0,0|2,0,0]=4 1349 B7R0.3 CCC(N)CCOC MCULE-8279767210 [1,1,0,0,0,0|2,0,0]=4 1350 B7R0.3 CCC(O)CCCN MCULE-1491163174 [1,1,0,0,0,0|2,0,0]=4 1351 B7R0.3 CCC(O)CCCN MCULE-5150508895 [1,1,0,0,0,0|2,0,0]=4 1352 B7R0.3 CCC(O)CCCO MCULE-1099760826 [1,1,0,0,0,0|1,0,0]=3 1353 B7R0.3 CCC(O)CCOC MCULE-1245099360 [1,1,0,0,0,0|1,0,0]=3 1354 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,1,0,0,0,0|2,0,0]=4 1355 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,1,0,0,0,0|2,0,0]=4 1356 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,1,0,0,0,0|2,0,0]=4 1357 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,1,0,0,0,0|2,0,0]=4 1358 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [1,1,0,0,0,0|2,0,0]=4 1359 B7R0.3 CCCCC(O)CC MCULE-3912386534 [1,1,0,0,0,0|2,0,0]=4 1360 B7R0.3 CCCCC(O)CN MCULE-1383380728 [1,1,0,0,0,0|2,0,0]=4 1361 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,1,0,0,0,0|1,0,0]=3 1362 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,1,0,0,0,0|2,0,0]=4 1363 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,1,0,0,0,0|2,0,0]=4 1364 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,1,0,0,0,0|2,0,0]=4 1365 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,1,0,0,0,0|2,0,0]=4 1366 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,1,0,0,0,0|2,0,0]=4 1367 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,1,0,0,0,0|2,0,0]=4 1368 B7R0.3 CCCNC(C)CO MCULE-6575712324 [1,1,0,0,0,0|2,0,0]=4 1369 B7R0.3 CCNCC(O)CC MCULE-9820144398 [1,1,0,0,0,0|2,0,0]=4 1370 B7R0.3 CCOCC(C)CO MCULE-6831759423 [1,1,0,0,0,0|2,0,0]=4 1371 B7R0.3 CCOCC(N)CO MCULE-8546500751 [1,1,0,0,0,0|2,0,0]=4 1372 B7R0.3 CCOCC(O)CCl MCULE-5119359541 [1,1,0,0,0,0|2,0,0]=4 1373 B7R0.3 CCOCC(O)CN MCULE-2355759727 [1,1,0,0,0,0|2,0,0]=4 1374 B7R0.3 CCOCC(O)CO MCULE-2728952355 [1,1,0,0,0,0|1,0,0]=3 1375 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [1,1,0,0,0,0|2,0,0]=4 1376 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [1,1,0,0,0,0|2,0,0]=4 1377 B7R0.3 COCCC(C)CN MCULE-7288397543 [1,1,0,0,0,0|2,0,0]=4 1378 B7R0.3 COCCC(N)CO MCULE-9758817920 [1,1,0,0,0,0|1,0,0]=3 1379 B7R0.3 COCOC(C)CO MCULE-5033492685 [1,1,0,0,0,0|2,0,0]=4 1380 B7R0.3 COCO[C@@H](C)CO MCULE-2279257941 [1,1,0,0,0,0|2,0,0]=4 1381 B7R0.3 COCO[C@H](C)CO MCULE-6639618074 [1,1,0,0,0,0|2,0,0]=4 1382 B7R0.3 COCO[C@H](C)CO MCULE-9421136678 [1,1,0,0,0,0|2,0,0]=4 1383 B7R0.3 CSCCC(N)CO MCULE-1688371230 [1,1,0,0,0,0|1,1,0]=4 1384 B7R0.3 CSCCC(O)CN MCULE-3835830442 [1,1,0,0,0,0|1,1,0]=4 1385 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [1,1,0,0,0,0|1,1,0]=4 1386 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [1,1,0,0,0,0|1,1,0]=4 1387 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [1,1,0,0,0,0|1,1,0]=4 1388 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [1,1,0,0,0,0|1,1,0]=4 1389 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [1,1,0,0,0,0|2,0,0]=4 1390 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [1,1,0,0,0,0|2,0,0]=4 1391 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [1,1,0,0,0,0|2,0,0]=4 1392 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [1,1,0,0,0,0|2,0,0]=4 1393 B7R0.3 N#N=NCC(O)CO MCULE-9290720433 [1,1,0,0,0,0|2,0,0]=4 1394 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,1,0,0,0,0|0,0,2]=4 1395 B7R0.3 OCCCC(O)CO MCULE-3529953491 [1,1,0,0,0,0|0,0,0]=2 1396 B7R0.5 CC(C)C(C)CCO MCULE-9837449555 [1,1,0,0,0,0|2,0,0]=4 1397 B7R0.5 CC(C)C(N)CCO MCULE-4571836019 [1,1,0,0,0,0|2,0,0]=4 1398 B7R0.5 CC(C)C(O)CCCl MCULE-3510291624 [1,1,0,0,0,0|2,0,0]=4 1399 B7R0.5 CC(C)C(O)CCN MCULE-2039463209 [1,1,0,0,0,0|2,0,0]=4 1400 B7R0.5 CC(C)C(O)CCN MCULE-2941304015 [1,1,0,0,0,0|2,0,0]=4 1401 B7R0.5 CC(C)C(O)CCO MCULE-8819967893 [1,1,0,0,0,0|1,0,0]=3 1402 B7R0.5 CC(C)[C@H](N)CCO MCULE-5628923252 [1,1,0,0,0,0|2,0,0]=4 1403 B7R0.5 CC(C)[C@H](O)CCN MCULE-1853419872 [1,1,0,0,0,0|2,0,0]=4 1404 B7R0.5 CC(C)[C@H](O)CCN MCULE-1886424228 [1,1,0,0,0,0|2,0,0]=4 1405 B7R0.5 CC(C)[C@H](O)CCN MCULE-7762475170 [1,1,0,0,0,0|2,0,0]=4 1406 B7R0.5 CC(C)[C@H](O)CCN MCULE-8675177820 [1,1,0,0,0,0|2,0,0]=4 1407 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,1,0,0,0,0|1,0,1]=4 1408 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [1,1,0,0,0,0|2,0,0]=4 1409 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,1,0,0,0,0|1,0,1]=4 1410 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,1,0,0,0,0|1,0,1]=4 1411 B7R0.5 CCCC(O)C(C)C MCULE-8942406791 [1,1,0,0,0,0|2,0,0]=4 1412 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,1,0,0,0,0|1,0,1]=4 1413 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,1,0,0,0,0|1,0,1]=4 1414 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,1,0,0,0,0|1,0,1]=4 1415 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,1,0,0,0,0|1,0,1]=4 1416 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,1,0,0,0,0|1,0,1]=4 1417 B7R0.5 NC(CCO)C(F)F MCULE-1854847569 [1,1,0,0,0,0|2,0,0]=4 1418 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,1,0,0,0,0|1,0,1]=4 1419 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,1,0,0,0,0|1,0,1]=4 1420 B7R0.5 NCCC(O)C(F)F MCULE-7251767327 [1,1,0,0,0,0|2,0,0]=4 1421 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,1,0,0,0,0|1,0,1]=4 1422 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,1,0,0,0,0|1,0,1]=4 1423 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,1,0,0,0,0|1,0,1]=4 1424 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,1,0,0,0,0|1,0,1]=4 1425 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,1,0,0,0,0|1,0,1]=4 1426 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,1,0,0,0,0|1,0,1]=4 1427 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,1,0,0,0,0|1,0,1]=4 1428 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,1,0,0,0,0|0,0,1]=3 1429 B7R0.7 C#CC[C@@H](O)COC MCULE-5751153207 [1,1,0,0,0,0|1,0,1]=4 1430 B7R0.7 C#CC[C@H](O)COC MCULE-1465786417 [1,1,0,0,0,0|1,0,1]=4 1431 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [1,1,0,0,0,0|2,0,0]=4 1432 B7R0.7 CC(CCN)CCO MCULE-7864092529 [1,1,0,0,0,0|2,0,0]=4 1433 B7R0.7 CC(CCO)CCO MCULE-5426211201 [1,1,0,0,0,0|1,0,0]=3 1434 B7R0.7 CCCC(C)CCO MCULE-6887128167 [1,1,0,0,0,0|2,0,0]=4 1435 B7R0.7 CCCC(N)CCO MCULE-3641094890 [1,1,0,0,0,0|2,0,0]=4 1436 B7R0.7 CCCC(N)CCO MCULE-5323991138 [1,1,0,0,0,0|2,0,0]=4 1437 B7R0.7 CCCC(N)CCO MCULE-6597027417 [1,1,0,0,0,0|2,0,0]=4 1438 B7R0.7 CCCC(N)CCO MCULE-8093709628 [1,1,0,0,0,0|2,0,0]=4 1439 B7R0.7 CCCC(O)CCC MCULE-1942797307 [1,1,0,0,0,0|2,0,0]=4 1440 B7R0.7 CCCC(O)CCN MCULE-3796998426 [1,1,0,0,0,0|2,0,0]=4 1441 B7R0.7 CCCC(O)CCO MCULE-6957178966 [1,1,0,0,0,0|1,0,0]=3 1442 B7R0.7 CCCC(S)CCO MCULE-7972451905 [1,1,0,0,0,0|1,1,0]=4 1443 B7R0.7 CCC[C@@H](N)CCO MCULE-1862127512 [1,1,0,0,0,0|2,0,0]=4 1444 B7R0.7 CCC[C@@H](N)CCO MCULE-3031366486 [1,1,0,0,0,0|2,0,0]=4 1445 B7R0.7 CCC[C@@H](N)CCO MCULE-4433535200 [1,1,0,0,0,0|2,0,0]=4 1446 B7R0.7 CCC[C@@H](N)CCO MCULE-8325506694 [1,1,0,0,0,0|2,0,0]=4 1447 B7R0.7 CCC[C@H](N)CCO MCULE-3164100995 [1,1,0,0,0,0|2,0,0]=4 1448 B7R0.7 CCC[C@H](N)CCO MCULE-3262978007 [1,1,0,0,0,0|2,0,0]=4 1449 B7R0.7 CCC[C@H](N)CCO MCULE-3382311889 [1,1,0,0,0,0|2,0,0]=4 1450 B7R0.7 CCC[C@H](N)CCO MCULE-4865013919 [1,1,0,0,0,0|2,0,0]=4 1451 B7R0.7 CCNC(C)CCO MCULE-5904294074 [1,1,0,0,0,0|2,0,0]=4 1452 B7R0.7 CN(CCO)CCO MCULE-3967840948 [1,1,0,0,0,0|2,0,0]=4 1453 B7R0.7 CN(CCO)CCO MCULE-6878116085 [1,1,0,0,0,0|2,0,0]=4 1454 B7R0.7 CNCC(O)COC MCULE-8497493216 [1,1,0,0,0,0|2,0,0]=4 1455 B7R0.7 COCC(C)CCO MCULE-6812981556 [1,1,0,0,0,0|1,0,0]=3 1456 B7R0.7 COCC(N)CCO MCULE-2569422233 [1,1,0,0,0,0|1,0,0]=3 1457 B7R0.7 COCC(O)CCN MCULE-9524454931 [1,1,0,0,0,0|1,0,0]=3 1458 B7R0.7 COCC(O)COC MCULE-5364514636 [1,1,0,0,0,0|2,0,0]=4 1459 B7R0.7 COCC(O)CON MCULE-3159534337 [1,1,0,0,0,0|2,0,0]=4 1460 B7R0.7 CSCC(N)CCO MCULE-2899374338 [1,1,0,0,0,0|1,1,0]=4 1461 B7R0.7 O=C(CCO)CCO MCULE-8765223516 [1,1,0,0,0,0|0,0,2]=4 1462 B7R0.7 O=S(CCO)CCO MCULE-3068452870 [1,1,0,0,0,0|1,0,1]=4 1463 B7R0.7 OCCC(O)CCO MCULE-1162803524 [1,1,0,0,0,0|0,0,0]=2 1464 B7R0.11 CC(C)(CN)CCO MCULE-8453542373 [1,1,0,0,0,0|2,0,0]=4 1465 B7R0.11 CC(C)(CO)CCN MCULE-5221703852 [1,1,0,0,0,0|2,0,0]=4 1466 B7R0.11 CC(C)(CO)CCN MCULE-7380535368 [1,1,0,0,0,0|2,0,0]=4 1467 B7R0.11 CC(C)(CO)CCO MCULE-1756560398 [1,1,0,0,0,0|1,0,0]=3 1468 B7R0.11 CC(N)(CO)CCF MCULE-5569472665 [1,1,0,0,0,0|2,0,0]=4 1469 B7R0.11 CC(O)(CO)CCO MCULE-4148316300 [1,1,0,0,0,0|0,0,0]=2 1470 B7R0.11 CCC(C)(C)CCO MCULE-5248034600 [1,1,0,0,0,0|2,0,0]=4 1471 B7R0.11 CCC(C)(N)CCO MCULE-7673513204 [1,1,0,0,0,0|2,0,0]=4 1472 B7R0.11 CCC(C)(O)CCO MCULE-6173398477 [1,1,0,0,0,0|1,0,0]=3 1473 B7R0.11 CCCC(C)(N)CO MCULE-9180767555 [1,1,0,0,0,0|2,0,0]=4 1474 B7R0.11 CCCC(C)(O)CC MCULE-9155096022 [1,1,0,0,0,0|2,0,0]=4 1475 B7R0.11 CCCC(C)(O)CN MCULE-4716937953 [1,1,0,0,0,0|2,0,0]=4 1476 B7R0.11 CCCC(C)(O)CO MCULE-3737630396 [1,1,0,0,0,0|1,0,0]=3 1477 B7R0.11 CCO[C@](C)(O)CO MCULE-2547633573 [1,1,0,0,0,0|2,0,0]=4 1478 B7R0.11 OCCC(F)(F)CO MCULE-9524877710 [1,1,0,0,0,0|1,0,0]=3 1479 B7R0.12 C=CCC(CO)CO MCULE-4178696072 [1,1,0,0,0,0|1,0,1]=4 1480 B7R0.12 CCC(CC)CCO MCULE-1684491793 [1,1,0,0,0,0|2,0,0]=4 1481 B7R0.12 CCC(CN)CCO MCULE-4612619767 [1,1,0,0,0,0|2,0,0]=4 1482 B7R0.12 CCCC(CN)OC MCULE-6456891707 [1,1,0,0,0,0|2,0,0]=4 1483 B7R0.12 CCCC(CO)CO MCULE-2372919180 [1,1,0,0,0,0|1,0,0]=3 1484 B7R0.12 CCCC(CO)OC MCULE-9427398002 [1,1,0,0,0,0|1,0,0]=3 1485 B7R0.12 COC(CN)CCN MCULE-6044078562 [1,1,0,0,0,0|2,0,0]=4 1486 B7R0.12 COC(CO)CCN MCULE-1177905249 [1,1,0,0,0,0|1,0,0]=3 1487 B7R0.12 COCC(CO)OC MCULE-6775038884 [1,1,0,0,0,0|2,0,0]=4 1488 B7R0.12 COC[C@@H](CO)OC MCULE-7098934437 [1,1,0,0,0,0|2,0,0]=4 1489 B7R0.12 NCCC(CO)CO MCULE-7028267284 [1,1,0,0,0,0|1,0,0]=3 1490 B7R0.12 NCCC(CO)CO MCULE-8865812482 [1,1,0,0,0,0|1,0,0]=3 1491 B7R0.12 OCCC(CO)CO MCULE-7198799967 [1,1,0,0,0,0|0,0,0]=2 1492 B7R0.13 CC(C)C(C)(C)CO MCULE-1206498909 [1,1,0,0,0,0|2,0,0]=4 1493 B7R0.13 CC(C)C(C)(O)CN MCULE-2436598879 [1,1,0,0,0,0|2,0,0]=4 1494 B7R0.13 CC(C)C(C)(O)CO MCULE-7640109698 [1,1,0,0,0,0|1,0,0]=3 1495 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [1,1,0,0,0,0|0,0,2]=4 1496 B7R0.13 CC(O)C(C)(C)CN MCULE-2675460571 [1,1,0,0,0,0|2,0,0]=4 1497 B7R0.13 CC(O)C(C)(C)CO MCULE-1064066796 [1,1,0,0,0,0|1,0,0]=3 1498 B7R0.13 CCC(C)(O)C(C)O MCULE-5475978311 [1,1,0,0,0,0|1,0,0]=3 1499 B7R0.14 CC(C)(C)C(N)CO MCULE-7753244981 [1,1,0,0,0,0|2,0,0]=4 1500 B7R0.14 CC(C)(C)C(N)CO MCULE-8719256669 [1,1,0,0,0,0|2,0,0]=4 1501 B7R0.14 CC(C)(C)C(O)CBr MCULE-7385281890 [1,1,0,0,0,0|2,0,0]=4 1502 B7R0.14 CC(C)(C)C(O)CCl MCULE-2463075191 [1,1,0,0,0,0|2,0,0]=4 1503 B7R0.14 CC(C)(C)C(O)CN MCULE-1008278452 [1,1,0,0,0,0|2,0,0]=4 1504 B7R0.14 CC(C)(C)C(O)CO MCULE-2952507658 [1,1,0,0,0,0|1,0,0]=3 1505 B7R0.14 CC(C)(C)[C@@H](N)CO MCULE-3982110596 [1,1,0,0,0,0|2,0,0]=4 1506 B7R0.14 CC(C)(C)[C@@H](N)CO MCULE-5537283120 [1,1,0,0,0,0|2,0,0]=4 1507 B7R0.14 CC(C)(C)[C@@H](N)CO MCULE-9278147798 [1,1,0,0,0,0|2,0,0]=4 1508 B7R0.14 CC(C)(C)[C@H](N)CO MCULE-2023958874 [1,1,0,0,0,0|2,0,0]=4 1509 B7R0.14 CC(C)(C)[C@H](N)CO MCULE-6480065609 [1,1,0,0,0,0|2,0,0]=4 1510 B7R0.14 CC(C)(O)C(F)CN MCULE-4048927334 [1,1,0,0,0,0|2,0,0]=4 1511 B7R0.14 CC(C)(O)C(F)CN MCULE-5250059338 [1,1,0,0,0,0|2,0,0]=4 1512 B7R0.14 CC(C)(O)C(F)CN MCULE-6618174177 [1,1,0,0,0,0|2,0,0]=4 1513 B7R0.14 CC(C)(O)C(O)CN MCULE-5716430192 [1,1,0,0,0,0|1,0,0]=3 1514 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-4206986361 [1,1,0,0,0,0|2,0,0]=4 1515 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-4332950642 [1,1,0,0,0,0|2,0,0]=4 1516 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-5233683424 [1,1,0,0,0,0|2,0,0]=4 1517 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-9403366864 [1,1,0,0,0,0|2,0,0]=4 1518 B7R0.14 CC(C)(O)[C@H](F)CN MCULE-3837695935 [1,1,0,0,0,0|2,0,0]=4 1519 B7R0.14 CC(C)(O)[C@H](F)CN MCULE-5691809916 [1,1,0,0,0,0|2,0,0]=4 1520 B7R0.14 CC(C)(O)[C@H](F)CN MCULE-5910344650 [1,1,0,0,0,0|2,0,0]=4 1521 B7R0.14 CC(CO)C(C)(C)C MCULE-7343676375 [1,1,0,0,0,0|2,0,0]=4 1522 B7R0.14 CC(CO)C(C)(C)O MCULE-8073024148 [1,1,0,0,0,0|1,0,0]=3 1523 B7R0.14 CC(CO)C(C)(F)F MCULE-3224311448 [1,1,0,0,0,0|2,0,0]=4 1524 B7R0.14 CCC(N)C(C)(C)O MCULE-2452246439 [1,1,0,0,0,0|2,0,0]=4 1525 B7R0.14 CCC(N)C(C)(C)O MCULE-3686970762 [1,1,0,0,0,0|2,0,0]=4 1526 B7R0.14 CCC(O)C(C)(C)C MCULE-4883174975 [1,1,0,0,0,0|2,0,0]=4 1527 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-2250873384 [1,1,0,0,0,0|2,0,0]=4 1528 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-7069208023 [1,1,0,0,0,0|2,0,0]=4 1529 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-6344226071 [1,1,0,0,0,0|2,0,0]=4 1530 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-7677944024 [1,1,0,0,0,0|2,0,0]=4 1531 B7R0.14 C[C@@H](CO)C(C)(C)O MCULE-1478332547 [1,1,0,0,0,0|1,0,0]=3 1532 B7R0.14 C[C@@H](CO)C(C)(C)O MCULE-2286439441 [1,1,0,0,0,0|1,0,0]=3 1533 B7R0.14 OCC(O)C(F)(F)F MCULE-7099011877 [1,1,0,0,0,0|2,0,0]=4 1534 B7R0.14 OC[C@@H](O)C(F)(F)F MCULE-1547382437 [1,1,0,0,0,0|2,0,0]=4 1535 B7R0.14 [NH3+]C(CO)C(C)(C)C MCULE-6310162573 [1,1,0,0,0,0|2,0,0]=4 1536 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [1,1,0,0,0,0|0,0,2]=4 1537 B7R0.15 CC(C)C(CN)CO MCULE-2517509906 [1,1,0,0,0,0|2,0,0]=4 1538 B7R0.15 CC(C)C(CO)CO MCULE-8569465631 [1,1,0,0,0,0|1,0,0]=3 1539 B7R0.15 CC(C)C(CO)ON MCULE-7037439016 [1,1,0,0,0,0|1,0,0]=3 1540 B7R0.15 CC(C)C(CO)ON MCULE-9325437885 [1,1,0,0,0,0|1,0,0]=3 1541 B7R0.15 CC(O)C(CO)CO MCULE-9986430379 [1,1,0,0,0,0|0,0,0]=2 1542 B7R0.15 CCC(CC)C(C)O MCULE-9742014522 [1,1,0,0,0,0|2,0,0]=4 1543 B7R0.15 CCC(CO)C(C)C MCULE-5089280337 [1,1,0,0,0,0|2,0,0]=4 1544 B7R0.15 CN(C)C(CO)CO MCULE-6589056011 [1,1,0,0,0,0|2,0,0]=4 1545 B7R0.15 CNC(CO)C(C)C MCULE-5445088789 [1,1,0,0,0,0|2,0,0]=4 1546 B7R0.15 COC(CBr)C(C)C MCULE-2169119261 [1,1,0,0,0,0|2,0,0]=4 1547 B7R0.15 COC(CN)C(C)C MCULE-9651783224 [1,1,0,0,0,0|2,0,0]=4 1548 B7R0.15 COC(CO)C(C)Br MCULE-6071239484 [1,1,0,0,0,0|1,0,0]=3 1549 B7R0.15 COC(CO)C(C)C MCULE-8695619177 [1,1,0,0,0,0|1,0,0]=3 1550 B7R0.15 COC(CO)C(C)N MCULE-9816044841 [1,1,0,0,0,0|1,0,0]=3 1551 B7R0.15 COC(OC)C(C)O MCULE-9058387582 [1,1,0,0,0,0|2,0,0]=4 1552 B7R0.15 COC(OC)[C@@H](C)O MCULE-2524252240 [1,1,0,0,0,0|2,0,0]=4 1553 B7R0.15 COC(OC)[C@H](C)O MCULE-2577056762 [1,1,0,0,0,0|2,0,0]=4 1554 B7R0.15 CO[C@@H](CO)C(C)C MCULE-3676351737 [1,1,0,0,0,0|1,0,0]=3 1555 B7R0.15 CO[C@H](CO)C(C)C MCULE-2189146072 [1,1,0,0,0,0|1,0,0]=3 1556 B7R0.15 CSC(CO)C(C)N MCULE-6491195363 [1,1,0,0,0,0|1,1,0]=4 1557 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [1,1,0,0,0,0|1,0,1]=4 1558 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [1,1,0,0,0,0|1,0,1]=4 1559 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [1,1,0,0,0,0|1,0,1]=4 1560 B7R0.16 CC(C)C(O)C(C)C MCULE-3471523029 [1,1,0,0,0,0|2,0,0]=4 1561 B7R0.16 CC(C)C(O)C(C)N MCULE-1856841813 [1,1,0,0,0,0|2,0,0]=4 1562 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [1,1,0,0,0,0|1,0,1]=4 1563 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [1,1,0,0,0,0|1,0,1]=4 1564 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [1,1,0,0,0,0|1,0,1]=4 1565 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [1,1,0,0,0,0|1,0,1]=4 1566 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [1,1,0,0,0,0|1,0,1]=4 1567 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [1,1,0,0,0,0|1,0,1]=4 1568 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [1,1,0,0,0,0|1,0,1]=4 1569 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [1,1,0,0,0,0|1,0,1]=4 1570 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [1,1,0,0,0,0|1,0,1]=4 1572 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [1,1,0,0,0,0|1,0,1]=4 1573 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [1,1,0,0,0,0|1,0,1]=4 1574 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [1,1,0,0,0,0|1,0,1]=4 1575 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [1,1,0,0,0,0|1,0,1]=4 1576 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [1,1,0,0,0,0|1,0,1]=4 1577 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [1,1,0,0,0,0|1,0,1]=4 1578 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [1,1,0,0,0,0|1,0,1]=4 1579 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [1,1,0,0,0,0|1,0,1]=4 1580 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [1,1,0,0,0,0|0,0,1]=3 1581 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [1,1,0,0,0,0|1,0,1]=4 1582 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [1,1,0,0,0,0|1,0,1]=4 1583 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [1,1,0,0,0,0|1,0,1]=4 1584 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [1,1,0,0,0,0|1,0,1]=4 1585 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [1,1,0,0,0,0|1,0,1]=4 1586 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [1,1,0,0,0,0|1,0,1]=4 1587 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [1,1,0,0,0,0|1,0,1]=4 1588 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [1,1,0,0,0,0|1,0,1]=4 1589 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [1,1,0,0,0,0|1,0,1]=4 1590 B9R0.27 CC(CO)N(C)C(C)CO MCULE-8899875161 [0,1,0,0,0,1|2,0,0]=4 1591 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [0,1,0,0,0,1|0,0,2]=4 1592 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [0,1,0,0,0,1|0,0,2]=4 1593 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [0,1,0,0,0,1|0,0,2]=4 1594 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [0,1,0,0,0,1|0,0,2]=4 1595 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [0,1,0,0,0,1|0,0,2]=4 1596 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [0,1,0,0,0,1|0,0,2]=4 1597 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [0,1,0,0,0,1|0,0,2]=4 1598 B9R0.27 O=CC(O)C(O)C(O)CO MCULE-9562771067 [0,1,0,0,0,1|0,0,2]=4 1599 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-1120126008 [0,1,0,0,0,1|0,0,2]=4 1600 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-2723797968 [0,1,0,0,0,1|0,0,2]=4 1601 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1190384749 [0,1,0,0,0,1|0,0,2]=4 1602 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2266732421 [0,1,0,0,0,1|0,0,2]=4 1603 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-1097497548 [0,1,0,0,0,1|0,0,2]=4 1604 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-7909984167 [0,1,0,0,0,1|0,0,2]=4 1605 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1895838145 [0,1,0,0,0,1|0,0,2]=4 1606 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7112552451 [0,1,0,0,0,1|0,0,2]=4 1607 B9R0.27 O=C[C@H](O)[C@@H](F)[C@H](O)CO MCULE-6533146203 [0,1,0,0,0,1|0,0,2]=4 1608 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-2590073916 [0,1,0,0,0,1|0,0,2]=4 1609 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-9133960721 [0,1,0,0,0,1|0,0,2]=4 1610 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO MCULE-2277980048 [0,1,0,0,0,1|0,0,2]=4 1611 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO MCULE-2928575905 [0,1,0,0,0,1|0,0,2]=4 1612 B9R0.27 O=C[C@H](O)[C@H](O)[C@@H](O)CO MCULE-4972279660 [0,1,0,0,0,1|0,0,2]=4 1613 B9R0.27 O=C[C@H](O)[C@H](O)[C@@H](O)CO MCULE-6692095263 [0,1,0,0,0,1|0,0,2]=4 1614 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-7503149757 [0,1,0,0,0,1|0,0,2]=4 1615 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-9189507099 [0,1,0,0,0,1|0,0,2]=4 1616 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-9734013313 [0,1,0,0,0,1|0,0,2]=4 1617 B9R0.27 OCC(O)C(O)C(O)CO MCULE-9129572486 [0,1,0,0,0,1|0,0,0]=2 1618 B9R0.27 OC[C@@H](O)C(O)[C@H](O)CO MCULE-8306941933 [0,1,0,0,0,1|0,0,0]=2 1619 B9R0.27 OC[C@@H](O)C(O)[C@H](O)CO MCULE-9668936414 [0,1,0,0,0,1|0,0,0]=2 1620 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO MCULE-6137228639 [0,1,0,0,0,1|0,0,0]=2 1621 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO MCULE-9731864914 [0,1,0,0,0,1|0,0,0]=2 1622 B9R0.27 OC[C@H](O)[C@@H](O)[C@H](O)CO MCULE-6476329373 [0,1,0,0,0,1|0,0,0]=2 1623 B9R0.27 OC[C@H](O)[C@H](O)[C@H](O)CO MCULE-5168116503 [0,1,0,0,0,1|0,0,0]=2 1624 B9R0.42 C[C@@H](O)[C@@H](O)C[C@H](O)C=O MCULE-5279849864 [0,1,0,0,0,1|0,0,2]=4 1625 B9R0.42 C[C@@H](O)[C@H](O)C[C@H](O)C=O MCULE-8179219296 [0,1,0,0,0,1|0,0,2]=4 1626 B9R0.6 CCCC(O)C(C)C(C)O MCULE-2897758601 [0,2,0,0,0,0|2,0,0]=4 1627 B9R0.6 C[C@H](O)[C@@H](O)[C@@H](O)CC=O MCULE-2872306796 [0,2,0,0,0,0|0,0,1]=3 1628 B9R0.6 C[C@H](O)[C@H](O)[C@@H](N)CC=O MCULE-2681463079 [0,2,0,0,0,0|1,0,1]=4 1629 B9R0.6 C[C@H](O)[C@H](O)[C@@H](N)CC=O MCULE-3703407559 [0,2,0,0,0,0|1,0,1]=4 1630 B9R0.25 CC(CO)C(O)C(C)(C)C MCULE-9367736640 [0,2,0,0,0,0|2,0,0]=4 1631 B9R0.32 CC(C)(CO)C(O)C(=O)O MCULE-3752332762 [0,2,0,0,0,0|1,0,1]=4 1632 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O MCULE-7418140514 [0,2,0,0,0,0|1,0,1]=4 1633 B9R0.32 CC(C)C(O)C(C)(C)CO MCULE-3777364262 [0,2,0,0,0,0|2,0,0]=4 1634 B9R0.32 CC(C)C(O)C(C)(C)CO MCULE-8458650598 [0,2,0,0,0,0|2,0,0]=4 1635 B9R0.32 CCC(C)(O)C(O)C(=O)O MCULE-6322081363 [0,2,0,0,0,0|1,0,1]=4 1636 B9R0.79 C=C(O)[C@@H](O)[C@@H](O)C(=C)O MCULE-4802689848 [0,2,0,0,0,0|0,0,2]=4 1637 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,2,0,0,0,0|0,0,2]=4 1638 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,2,0,0,0,0|0,0,2]=4 1639 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,2,0,0,0,0|0,0,2]=4 1640 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,2,0,0,0,0|0,0,2]=4 1641 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,2,0,0,0,0|0,0,2]=4 1642 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,2,0,0,0,0|0,0,2]=4 1643 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,2,0,0,0,0|0,0,2]=4 1644 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,2,0,0,0,0|0,0,2]=4 1645 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,2,0,0,0,0|0,0,2]=4 1646 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,2,0,0,0,0|0,0,2]=4 1647 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,2,0,0,0,0|0,0,2]=4 1648 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,2,0,0,0,0|0,0,2]=4 1649 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,2,0,0,0,0|0,0,2]=4 1650 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,2,0,0,0,0|0,0,2]=4 1651 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,2,0,0,0,0|0,0,2]=4 1652 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,2,0,0,0,0|0,0,2]=4 1653 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,2,0,0,0,0|0,0,2]=4 1654 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,2,0,0,0,0|0,0,2]=4 1655 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,2,0,0,0,0|0,0,2]=4 1656 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,2,0,0,0,0|0,0,2]=4 1657 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,2,0,0,0,0|0,0,2]=4 1658 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,2,0,0,0,0|0,0,2]=4 1659 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,2,0,0,0,0|0,0,2]=4 1660 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,2,0,0,0,0|0,0,2]=4 1661 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,2,0,0,0,0|0,0,2]=4 1662 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,2,0,0,0,0|0,0,2]=4 1663 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,2,0,0,0,0|0,0,2]=4 1664 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,2,0,0,0,0|0,0,2]=4 1665 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,2,0,0,0,0|0,0,2]=4 1666 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,2,0,0,0,0|0,0,2]=4 1667 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,2,0,0,0,0|0,0,2]=4 1668 B9R0.8 COCCC(O)C(O)CO MCULE-8755237951 [0,2,0,0,0,0|0,0,0]=2 1669 B9R0.8 COCC[C@H](O)[C@H](O)CO MCULE-6552589711 [0,2,0,0,0,0|0,0,0]=2 1670 B9R0.19 CCCC(O)C(C)(C)CO MCULE-6796111058 [0,2,0,0,0,0|2,0,0]=4 1671 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,2,0,0,0,0|0,0,0]=2 1672 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,2,0,0,0,0|0,0,0]=2 1673 B9R0.35 COC[C@H](O)[C@@H](O)COC MCULE-8381238593 [0,2,0,0,0,0|0,0,0]=2 1674 B9R0.35 N#CCC(O)C(O)CC#N MCULE-1342649894 [0,2,0,0,0,0|2,0,0]=4 1675 B9R0.37 CCCC(O)C(CC)CO MCULE-4462593004 [0,2,0,0,0,0|2,0,0]=4 1676 B9R0.31 CCC(C)(O)C(C)(O)CC MCULE-6311444082 [0,2,0,0,0,0|2,0,0]=4 1677 B9R0.31 OCC(F)(F)C(F)(F)CO MCULE-6839622919 [0,2,0,0,0,0|2,0,0]=4 1678 B9R0.69 O=CC(O)C(O)(CO)CO MCULE-7860921259 [0,2,0,0,0,0|0,0,2]=4 1679 B7R1.1 BrCC1CCCO1 MCULE-6801721633 [1,0,0,1,0,0|2,0,0]=4 1680 B7R1.1 BrCC1CCOC1 MCULE-5109533414 [1,0,0,1,0,0|2,0,0]=4 1681 B7R1.1 BrC[C@H]1CCCO1 MCULE-3468061610 [1,0,0,1,0,0|2,0,0]=4 1682 B7R1.1 BrC[C@H]1CCCO1 MCULE-9305844681 [1,0,0,1,0,0|2,0,0]=4 1683 B7R1.1 BrC[C@H]1CCOC1 MCULE-3326059942 [1,0,0,1,0,0|2,0,0]=4 1684 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [1,0,0,1,0,0|2,0,0]=4 1685 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [1,0,0,1,0,0|2,0,0]=4 1686 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [1,0,0,1,0,0|2,0,0]=4 1687 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [1,0,0,1,0,0|2,0,0]=4 1688 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [1,0,0,1,0,0|2,0,0]=4 1689 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [1,0,0,1,0,0|1,0,0]=3 1690 B7R1.1 ClCC1CCCO1 MCULE-9816764842 [1,0,0,1,0,0|2,0,0]=4 1691 B7R1.1 ClCC1CCOC1 MCULE-1203835826 [1,0,0,1,0,0|2,0,0]=4 1692 B7R1.1 ICC1CCCO1 MCULE-3981288245 [1,0,0,1,0,0|2,0,0]=4 1693 B7R1.1 ICC1CCOC1 MCULE-2014671156 [1,0,0,1,0,0|2,0,0]=4 1694 B7R1.1 IC[C@H]1CCOC1 MCULE-5163407500 [1,0,0,1,0,0|2,0,0]=4 1695 B7R1.1 NCC1CCCO1 MCULE-2797516262 [1,0,0,1,0,0|2,0,0]=4 1696 B7R1.1 NCC1CCCO1 MCULE-5970677903 [1,0,0,1,0,0|2,0,0]=4 1697 B7R1.1 NCC1CCCO1 MCULE-6166235034 [1,0,0,1,0,0|2,0,0]=4 1698 B7R1.1 NCC1CCOC1 MCULE-4208746127 [1,0,0,1,0,0|2,0,0]=4 1699 B7R1.1 NCC1CCOC1 MCULE-6540410947 [1,0,0,1,0,0|2,0,0]=4 1700 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [1,0,0,1,0,0|2,0,0]=4 1701 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [1,0,0,1,0,0|2,0,0]=4 1702 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [1,0,0,1,0,0|2,0,0]=4 1703 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [1,0,0,1,0,0|2,0,0]=4 1704 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [1,0,0,1,0,0|2,0,0]=4 1705 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [1,0,0,1,0,0|2,0,0]=4 1706 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [1,0,0,1,0,0|2,0,0]=4 1707 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [1,0,0,1,0,0|2,0,0]=4 1708 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [1,0,0,1,0,0|2,0,0]=4 1709 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [1,0,0,1,0,0|2,0,0]=4 1710 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [1,0,0,1,0,0|2,0,0]=4 1711 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [1,0,0,1,0,0|2,0,0]=4 1712 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [1,0,0,1,0,0|2,0,0]=4 1713 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [1,0,0,1,0,0|2,0,0]=4 1714 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [1,0,0,1,0,0|2,0,0]=4 1715 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [1,0,0,1,0,0|2,0,0]=4 1716 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [1,0,0,1,0,0|2,0,0]=4 1717 B7R1.1 OCC1CCCC1 MCULE-2985338933 [1,0,0,1,0,0|2,0,0]=4 1718 B7R1.1 OCC1CCCN1 MCULE-1016922679 [1,0,0,1,0,0|2,0,0]=4 1719 B7R1.1 OCC1CCCN1 MCULE-8224535891 [1,0,0,1,0,0|2,0,0]=4 1720 B7R1.1 OCC1CCCO1 MCULE-5877114547 [1,0,0,1,0,0|1,0,0]=3 1721 B7R1.1 OCC1CCCO1 MCULE-5884880244 [1,0,0,1,0,0|1,0,0]=3 1722 B7R1.1 OCC1CCCS1 MCULE-6106081414 [1,0,0,1,0,0|1,1,0]=4 1723 B7R1.1 OCC1CCNC1 MCULE-7883947611 [1,0,0,1,0,0|2,0,0]=4 1724 B7R1.1 OCC1CCNC1 MCULE-9689521155 [1,0,0,1,0,0|2,0,0]=4 1725 B7R1.1 OCC1CCOC1 MCULE-8926405046 [1,0,0,1,0,0|1,0,0]=3 1726 B7R1.1 OCC1CCON1 MCULE-1199975481 [1,0,0,1,0,0|1,0,0]=3 1727 B7R1.1 OCC1CCON1 MCULE-4772487016 [1,0,0,1,0,0|1,0,0]=3 1728 B7R1.1 OCC1CCSC1 MCULE-2226132734 [1,0,0,1,0,0|1,1,0]=4 1729 B7R1.1 OCC1COCO1 MCULE-3470022742 [1,0,0,1,0,0|2,0,0]=4 1730 B7R1.1 OCC1OCCO1 MCULE-8334027179 [1,0,0,1,0,0|2,0,0]=4 1731 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [1,0,0,1,0,0|2,0,0]=4 1732 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [1,0,0,1,0,0|2,0,0]=4 1733 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [1,0,0,1,0,0|2,0,0]=4 1734 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [1,0,0,1,0,0|2,0,0]=4 1735 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [1,0,0,1,0,0|1,0,0]=3 1736 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [1,0,0,1,0,0|1,0,0]=3 1737 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [1,0,0,1,0,0|2,0,0]=4 1738 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [1,0,0,1,0,0|2,0,0]=4 1739 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [1,0,0,1,0,0|2,0,0]=4 1740 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [1,0,0,1,0,0|2,0,0]=4 1741 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [1,0,0,1,0,0|1,0,0]=3 1742 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [1,0,0,1,0,0|1,0,0]=3 1743 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [1,0,0,1,0,0|2,0,0]=4 1744 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [1,0,0,1,0,0|2,0,0]=4 1745 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [1,0,0,1,0,0|2,0,0]=4 1746 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [1,0,0,1,0,0|2,0,0]=4 1747 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [1,0,0,1,0,0|1,0,0]=3 1748 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [1,0,0,1,0,0|1,0,0]=3 1749 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [1,0,0,1,0,0|2,0,0]=4 1750 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [1,0,0,1,0,0|2,0,0]=4 1751 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [1,0,0,1,0,0|2,0,0]=4 1752 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [1,0,0,1,0,0|2,0,0]=4 1753 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [1,0,0,1,0,0|1,0,0]=3 1754 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [1,0,0,1,0,0|1,0,0]=3 1755 B7R1.1 SCC1CCCO1 MCULE-5962232488 [1,0,0,1,0,0|1,1,0]=4 1756 B7R1.1 SCC1CCOC1 MCULE-4504314486 [1,0,0,1,0,0|1,1,0]=4 1757 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [1,0,0,1,0,0|2,0,0]=4 1758 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [1,0,0,1,0,0|2,0,0]=4 1759 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [1,0,0,1,0,0|2,0,0]=4 1760 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [1,0,0,1,0,0|2,0,0]=4 1761 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [1,0,0,1,0,0|1,0,0]=3 1762 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [1,0,0,1,0,0|2,0,0]=4 1763 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [1,0,0,1,0,0|2,0,0]=4 1764 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [1,0,0,1,0,0|2,0,0]=4 1765 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [1,0,0,1,0,0|2,0,0]=4 1766 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [1,0,0,1,0,0|2,0,0]=4 1767 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [1,0,0,1,0,0|2,0,0]=4 1768 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [1,0,0,1,0,0|2,0,0]=4 1769 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [1,0,0,1,0,0|2,0,0]=4 1770 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [1,0,0,1,0,0|2,0,0]=4 1771 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [1,0,0,1,0,0|2,0,0]=4 1772 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [1,0,0,1,0,0|2,0,0]=4 1773 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [1,0,0,1,0,0|2,0,0]=4 1774 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [1,0,0,1,0,0|2,0,0]=4 1775 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [1,0,0,1,0,0|2,0,0]=4 1776 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [1,0,0,1,0,0|2,0,0]=4 1777 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [1,0,0,1,0,0|2,0,0]=4 1778 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [1,0,0,1,0,0|2,0,0]=4 1779 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [1,0,0,1,0,0|2,0,0]=4 1780 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [1,0,0,1,0,0|2,0,0]=4 1781 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [1,0,0,1,0,0|2,0,0]=4 1782 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [1,0,0,1,0,0|2,0,0]=4 1783 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [1,0,0,1,0,0|2,0,0]=4 1784 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [1,0,0,1,0,0|2,0,0]=4 1785 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [1,0,0,1,0,0|2,0,0]=4 1786 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [1,0,0,1,0,0|2,0,0]=4 1787 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [1,0,0,1,0,0|2,0,0]=4 1788 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [1,0,0,1,0,0|2,0,0]=4 1789 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [1,0,0,1,0,0|2,0,0]=4 1790 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [1,0,0,1,0,0|2,0,0]=4 1791 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [1,0,0,1,0,0|2,0,0]=4 1792 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [1,0,0,1,0,0|2,0,0]=4 1793 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [1,0,0,1,0,0|2,0,0]=4 1794 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [1,0,0,1,0,0|2,0,0]=4 1795 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [1,0,0,1,0,0|2,0,0]=4 1796 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [1,0,0,1,0,0|2,0,0]=4 1797 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [1,0,0,1,0,0|2,0,0]=4 1798 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [1,0,0,1,0,0|2,0,0]=4 1799 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [1,0,0,1,0,0|2,0,0]=4 1800 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [1,0,0,1,0,0|2,0,0]=4 1801 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|0,0,2]=4 1802 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|0,0,2]=4 1803 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|0,0,2]=4 1804 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|0,0,2]=4 1805 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|0,0,2]=4 1806 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|0,0,2]=4 1807 B7R1.2 OC1C=CC(C1)O MCULE-9792113599 [1,0,0,1,0,0|1,0,1]=4 1808 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [1,0,0,1,0,0|1,0,0]=3 1809 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [1,0,0,1,0,0|2,0,0]=4 1810 B7R1.2 O[C@@H]1C=C[C@@H](C1)O MCULE-7187295032 [1,0,0,1,0,0|1,0,1]=4 1811 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [1,0,0,1,0,0|1,0,0]=3 1812 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [1,0,0,1,0,0|1,0,0]=3 1813 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [1,0,0,1,0,0|1,0,0]=3 1814 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [1,0,0,1,0,0|2,0,0]=4 1815 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [1,0,0,1,0,0|2,0,0]=4 1816 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [1,0,0,1,0,0|1,0,0]=3 1817 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [1,0,0,1,0,0|2,0,0]=4 1818 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [1,0,0,1,0,0|2,0,0]=4 1819 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [1,0,0,1,0,0|2,0,0]=4 1820 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [1,0,0,1,0,0|2,0,0]=4 1821 B7R1.3 BrC1CCCOC1 MCULE-5781416415 [1,0,0,1,0,0|2,0,0]=4 1822 B7R1.3 BrC1CCOCC1 MCULE-4896539126 [1,0,0,1,0,0|2,0,0]=4 1823 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [1,0,0,1,0,0|2,0,0]=4 1824 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [1,0,0,1,0,0|2,0,0]=4 1825 B7R1.3 C1(CCCOC1)N MCULE-7160456966 [1,0,0,1,0,0|2,0,0]=4 1826 B7R1.3 C1(CCCOC1)N MCULE-9418657332 [1,0,0,1,0,0|2,0,0]=4 1827 B7R1.3 CC1CCOCC1 MCULE-8623581625 [1,0,0,1,0,0|2,0,0]=4 1828 B7R1.3 ClC1CCCOC1 MCULE-5733907796 [1,0,0,1,0,0|2,0,0]=4 1829 B7R1.3 ClC1CCOCC1 MCULE-5672440693 [1,0,0,1,0,0|2,0,0]=4 1830 B7R1.3 FC1CCCOC1 MCULE-9003204358 [1,0,0,1,0,0|2,0,0]=4 1831 B7R1.3 IC1CCOCC1 MCULE-7226892860 [1,0,0,1,0,0|2,0,0]=4 1832 B7R1.3 NC1CCCOC1 MCULE-3002610862 [1,0,0,1,0,0|2,0,0]=4 1833 B7R1.3 NC1CCCOC1 MCULE-8678558313 [1,0,0,1,0,0|2,0,0]=4 1834 B7R1.3 NC1CCOCC1 MCULE-4830730893 [1,0,0,1,0,0|2,0,0]=4 1835 B7R1.3 NC1CCOCC1 MCULE-6229850202 [1,0,0,1,0,0|2,0,0]=4 1836 B7R1.3 NC1CCOCC1 MCULE-7619874469 [1,0,0,1,0,0|2,0,0]=4 1837 B7R1.3 N[C@@H]1CCCOC1 MCULE-3329999118 [1,0,0,1,0,0|2,0,0]=4 1838 B7R1.3 N[C@@H]1CCCOC1 MCULE-5434456311 [1,0,0,1,0,0|2,0,0]=4 1839 B7R1.3 N[C@@H]1CCCOC1 MCULE-8416525332 [1,0,0,1,0,0|2,0,0]=4 1840 B7R1.3 N[C@@H]1CCCOC1 MCULE-9941756618 [1,0,0,1,0,0|2,0,0]=4 1841 B7R1.3 N[C@H]1CCCOC1 MCULE-1619050625 [1,0,0,1,0,0|2,0,0]=4 1842 B7R1.3 N[C@H]1CCCOC1 MCULE-4275969826 [1,0,0,1,0,0|2,0,0]=4 1843 B7R1.3 N[C@H]1CCCOC1 MCULE-4421099383 [1,0,0,1,0,0|2,0,0]=4 1844 B7R1.3 N[C@H]1CCCOC1 MCULE-9281030983 [1,0,0,1,0,0|2,0,0]=4 1845 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [1,0,0,1,0,0|2,0,0]=4 1846 B7R1.3 OC1CCCCC1 MCULE-8217921343 [1,0,0,1,0,0|2,0,0]=4 1847 B7R1.3 OC1CCCNC1 MCULE-4557845355 [1,0,0,1,0,0|2,0,0]=4 1848 B7R1.3 OC1CCCNC1 MCULE-6040312691 [1,0,0,1,0,0|2,0,0]=4 1849 B7R1.3 OC1CCCOC1 MCULE-3820663957 [1,0,0,1,0,0|1,0,0]=3 1850 B7R1.3 OC1CCCOC1 MCULE-4349250540 [1,0,0,1,0,0|1,0,0]=3 1851 B7R1.3 OC1CCCSC1 MCULE-1448781710 [1,0,0,1,0,0|1,1,0]=4 1852 B7R1.3 OC1CCNCC1 MCULE-3572807775 [1,0,0,1,0,0|2,0,0]=4 1853 B7R1.3 OC1CCNCC1 MCULE-4216905638 [1,0,0,1,0,0|2,0,0]=4 1854 B7R1.3 OC1CCNCC1 MCULE-8298401309 [1,0,0,1,0,0|2,0,0]=4 1855 B7R1.3 OC1CCOCC1 MCULE-3789534226 [1,0,0,1,0,0|1,0,0]=3 1856 B7R1.3 OC1CCSCC1 MCULE-6056663037 [1,0,0,1,0,0|1,1,0]=4 1857 B7R1.3 OC1COCOC1 MCULE-1056094446 [1,0,0,1,0,0|2,0,0]=4 1858 B7R1.3 ON1CCOCC1 MCULE-9071295312 [1,0,0,1,0,0|2,0,0]=4 1859 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [1,0,0,1,0,0|2,0,0]=4 1860 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [1,0,0,1,0,0|2,0,0]=4 1861 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [1,0,0,1,0,0|2,0,0]=4 1862 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [1,0,0,1,0,0|2,0,0]=4 1863 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [1,0,0,1,0,0|1,0,0]=3 1864 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [1,0,0,1,0,0|1,0,0]=3 1865 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [1,0,0,1,0,0|2,0,0]=4 1866 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [1,0,0,1,0,0|2,0,0]=4 1867 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [1,0,0,1,0,0|2,0,0]=4 1868 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [1,0,0,1,0,0|2,0,0]=4 1869 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [1,0,0,1,0,0|1,0,0]=3 1870 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [1,0,0,1,0,0|1,0,0]=3 1871 B7R1.3 SC1CCCOC1 MCULE-9540212924 [1,0,0,1,0,0|1,1,0]=4 1872 B7R1.3 SC1CCOCC1 MCULE-1287019115 [1,0,0,1,0,0|1,1,0]=4 1873 B7R1.4 CC1CCCC1O MCULE-1288711765 [1,0,0,1,0,0|2,0,0]=4 1874 B7R1.4 CC1NCCC1O MCULE-7936666458 [1,0,0,1,0,0|2,0,0]=4 1875 B7R1.4 CC1NCCC1O MCULE-8369948926 [1,0,0,1,0,0|2,0,0]=4 1876 B7R1.4 CC1OCCC1N MCULE-4343663724 [1,0,0,1,0,0|2,0,0]=4 1877 B7R1.4 CC1OCCC1N MCULE-9003879039 [1,0,0,1,0,0|2,0,0]=4 1878 B7R1.4 CC1OCCC1O MCULE-6904695721 [1,0,0,1,0,0|1,0,0]=3 1879 B7R1.4 CC1OCCC1S MCULE-9127694888 [1,0,0,1,0,0|1,1,0]=4 1880 B7R1.4 CC1SCCC1O MCULE-4342593310 [1,0,0,1,0,0|1,1,0]=4 1881 B7R1.4 C[C@@H]1CCC[C@@H]1O MCULE-2617120620 [1,0,0,1,0,0|2,0,0]=4 1882 B7R1.4 C[C@@H]1CCC[C@H]1O MCULE-3398682980 [1,0,0,1,0,0|2,0,0]=4 1883 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-1705265213 [1,0,0,1,0,0|2,0,0]=4 1884 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-3395898129 [1,0,0,1,0,0|2,0,0]=4 1885 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-5909894286 [1,0,0,1,0,0|2,0,0]=4 1886 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-9998480727 [1,0,0,1,0,0|2,0,0]=4 1887 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-1101330824 [1,0,0,1,0,0|2,0,0]=4 1888 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3326131093 [1,0,0,1,0,0|2,0,0]=4 1889 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3941456644 [1,0,0,1,0,0|2,0,0]=4 1890 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-8944150043 [1,0,0,1,0,0|2,0,0]=4 1891 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [1,0,0,1,0,0|2,0,0]=4 1892 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [1,0,0,1,0,0|2,0,0]=4 1893 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-5212653059 [1,0,0,1,0,0|2,0,0]=4 1894 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-7997646273 [1,0,0,1,0,0|2,0,0]=4 1895 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-3291842365 [1,0,0,1,0,0|2,0,0]=4 1896 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-7570125274 [1,0,0,1,0,0|2,0,0]=4 1897 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-5499798144 [1,0,0,1,0,0|2,0,0]=4 1898 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-7401004387 [1,0,0,1,0,0|2,0,0]=4 1899 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-7469942077 [1,0,0,1,0,0|2,0,0]=4 1900 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-9976903585 [1,0,0,1,0,0|2,0,0]=4 1901 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [1,0,0,1,0,0|2,0,0]=4 1902 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [1,0,0,1,0,0|2,0,0]=4 1903 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [1,0,0,1,0,0|2,0,0]=4 1904 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [1,0,0,1,0,0|2,0,0]=4 1905 B7R1.4 ClC1CCOC1Cl MCULE-1186010832 [1,0,0,1,0,0|2,0,0]=4 1906 B7R1.4 NC1CCCC1O MCULE-1657591641 [1,0,0,1,0,0|2,0,0]=4 1907 B7R1.4 NC1CCCC1O MCULE-6248992494 [1,0,0,1,0,0|2,0,0]=4 1908 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [1,0,0,1,0,0|2,0,0]=4 1909 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [1,0,0,1,0,0|2,0,0]=4 1910 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [1,0,0,1,0,0|2,0,0]=4 1911 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [1,0,0,1,0,0|2,0,0]=4 1912 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [1,0,0,1,0,0|2,0,0]=4 1913 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [1,0,0,1,0,0|2,0,0]=4 1914 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [1,0,0,1,0,0|2,0,0]=4 1915 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [1,0,0,1,0,0|2,0,0]=4 1916 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [1,0,0,1,0,0|2,0,0]=4 1917 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [1,0,0,1,0,0|2,0,0]=4 1918 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [1,0,0,1,0,0|2,0,0]=4 1919 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [1,0,0,1,0,0|2,0,0]=4 1920 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [1,0,0,1,0,0|2,0,0]=4 1921 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [1,0,0,1,0,0|2,0,0]=4 1922 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [1,0,0,1,0,0|2,0,0]=4 1923 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [1,0,0,1,0,0|2,0,0]=4 1924 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [1,0,0,1,0,0|2,0,0]=4 1925 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [1,0,0,1,0,0|2,0,0]=4 1926 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [1,0,0,1,0,0|2,0,0]=4 1927 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [1,0,0,1,0,0|2,0,0]=4 1928 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,0,0,1,0,0|0,0,2]=4 1929 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,0,0,1,0,0|0,0,2]=4 1930 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,0,0,1,0,0|0,0,2]=4 1931 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,0,0,1,0,0|0,0,2]=4 1932 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,0,0,1,0,0|0,0,2]=4 1933 B7R1.4 OC1CCCC1Br MCULE-9027030471 [1,0,0,1,0,0|2,0,0]=4 1934 B7R1.4 OC1CCCC1Cl MCULE-5561130140 [1,0,0,1,0,0|2,0,0]=4 1935 B7R1.4 OC1CCCC1F MCULE-9111039481 [1,0,0,1,0,0|2,0,0]=4 1936 B7R1.4 OC1CCCC1O MCULE-2003945768 [1,0,0,1,0,0|1,0,0]=3 1937 B7R1.4 OC1CNCC1O MCULE-4416566731 [1,0,0,1,0,0|2,0,0]=4 1938 B7R1.4 OC1CNCC1O MCULE-7287658845 [1,0,0,1,0,0|2,0,0]=4 1939 B7R1.4 OC1COCC1O MCULE-2982401803 [1,0,0,1,0,0|2,0,0]=4 1940 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-5851051143 [1,0,0,1,0,0|2,0,0]=4 1941 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-6816188915 [1,0,0,1,0,0|2,0,0]=4 1942 B7R1.4 O[C@@H]1CCC[C@H]1F MCULE-6825738824 [1,0,0,1,0,0|2,0,0]=4 1943 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-3171045763 [1,0,0,1,0,0|1,0,0]=3 1944 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-4369287998 [1,0,0,1,0,0|1,0,0]=3 1945 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-2199886254 [1,0,0,1,0,0|2,0,0]=4 1946 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-3341203076 [1,0,0,1,0,0|2,0,0]=4 1947 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-5521619072 [1,0,0,1,0,0|2,0,0]=4 1948 B7R1.4 O[C@@H]1COC[C@H]1O MCULE-5846282762 [1,0,0,1,0,0|2,0,0]=4 1949 B7R1.4 O[C@H]1CCC[C@@H]1F MCULE-5487297072 [1,0,0,1,0,0|2,0,0]=4 1950 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4051443060 [1,0,0,1,0,0|1,0,0]=3 1951 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4644231649 [1,0,0,1,0,0|1,0,0]=3 1952 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-6847877597 [1,0,0,1,0,0|1,0,0]=3 1953 B7R1.4 O[C@H]1CCC[C@H]1Br MCULE-2758354858 [1,0,0,1,0,0|2,0,0]=4 1954 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-6157730443 [1,0,0,1,0,0|2,0,0]=4 1955 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-8785327416 [1,0,0,1,0,0|2,0,0]=4 1956 B7R1.4 O[C@H]1CCC[C@H]1O MCULE-7305350842 [1,0,0,1,0,0|1,0,0]=3 1957 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-5585016580 [1,0,0,1,0,0|2,0,0]=4 1958 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-6252837981 [1,0,0,1,0,0|2,0,0]=4 1959 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-7474807017 [1,0,0,1,0,0|2,0,0]=4 1960 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-8814174366 [1,0,0,1,0,0|2,0,0]=4 1961 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-9936814184 [1,0,0,1,0,0|2,0,0]=4 1962 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-8087937166 [1,0,0,1,0,0|2,0,0]=4 1963 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-9522092804 [1,0,0,1,0,0|2,0,0]=4 1964 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-2140544466 [1,0,0,1,0,0|2,0,0]=4 1965 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-9526811966 [1,0,0,1,0,0|2,0,0]=4 1966 B7R1.4 O[C@H]1COC[C@H]1O MCULE-2862505352 [1,0,0,1,0,0|2,0,0]=4 1967 B7R1.4 [C@@H]1(CNC[C@@H]1O)O MCULE-2661544949 [1,0,0,1,0,0|2,0,0]=4 1968 B7R1.6 BrCCC1CCO1 MCULE-2777479085 [1,0,0,1,0,0|2,0,0]=4 1969 B7R1.6 BrCCC1COC1 MCULE-8858681111 [1,0,0,1,0,0|2,0,0]=4 1970 B7R1.6 ICCC1CCO1 MCULE-3778448773 [1,0,0,1,0,0|2,0,0]=4 1971 B7R1.6 ICCC1COC1 MCULE-6063305860 [1,0,0,1,0,0|2,0,0]=4 1972 B7R1.6 NCCC1CCO1 MCULE-3619983020 [1,0,0,1,0,0|2,0,0]=4 1973 B7R1.6 NCCC1COC1 MCULE-6363254952 [1,0,0,1,0,0|2,0,0]=4 1974 B7R1.6 NCCC1COC1 MCULE-6907504739 [1,0,0,1,0,0|2,0,0]=4 1975 B7R1.6 NCC[C@@H]1CCO1 MCULE-5442768835 [1,0,0,1,0,0|2,0,0]=4 1976 B7R1.6 OCCC1CCC1 MCULE-1014969390 [1,0,0,1,0,0|2,0,0]=4 1977 B7R1.6 OCCC1CCN1 MCULE-4368379502 [1,0,0,1,0,0|2,0,0]=4 1978 B7R1.6 OCCC1CCO1 MCULE-3323265996 [1,0,0,1,0,0|1,0,0]=3 1979 B7R1.6 OCCC1CNC1 MCULE-1975411420 [1,0,0,1,0,0|2,0,0]=4 1980 B7R1.6 OCCC1CNC1 MCULE-4993890888 [1,0,0,1,0,0|2,0,0]=4 1981 B7R1.6 OCCC1COC1 MCULE-2515762048 [1,0,0,1,0,0|1,0,0]=3 1982 B7R1.6 OCC[C@@H]1CCN1 MCULE-9567198532 [1,0,0,1,0,0|2,0,0]=4 1983 B7R1.6 OCC[C@@H]1CCO1 MCULE-6606073727 [1,0,0,1,0,0|1,0,0]=3 1984 B7R1.6 OCC[C@H]1CCN1 MCULE-7385668340 [1,0,0,1,0,0|2,0,0]=4 1985 B7R1.6 OCC[C@H]1CCO1 MCULE-4848994972 [1,0,0,1,0,0|1,0,0]=3 1986 B7R1.6 OCC[C@H]1CCO1 MCULE-9787306242 [1,0,0,1,0,0|1,0,0]=3 1987 B7R1.8 CC1CCC1CO MCULE-4677269341 [1,0,0,1,0,0|2,0,0]=4 1988 B7R1.8 OCC1CCC1F MCULE-2481035584 [1,0,0,1,0,0|2,0,0]=4 1989 B7R1.8 OCC1CCC1O MCULE-9764745395 [1,0,0,1,0,0|1,0,0]=3 1990 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [1,0,0,1,0,0|1,0,0]=3 1991 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [1,0,0,1,0,0|1,0,0]=3 1992 B7R1.9 CCC1CC1CO MCULE-3342087238 [1,0,0,1,0,0|2,0,0]=4 1993 B7R1.9 NCC1CC1CO MCULE-2679526126 [1,0,0,1,0,0|2,0,0]=4 1994 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [1,0,0,1,0,0|2,0,0]=4 1995 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [1,0,0,1,0,0|2,0,0]=4 1996 B7R1.9 OCC1CC1CO MCULE-5153064657 [1,0,0,1,0,0|1,0,0]=3 1997 B7R1.9 OC[C@H]1C[C@H]1CO MCULE-9036138013 [1,0,0,1,0,0|1,0,0]=3 1998 B7R1.10 CC1CC(C1)CO MCULE-5730978355 [1,0,0,1,0,0|2,0,0]=4 1999 B7R1.10 NC1CC(C1)CO MCULE-4549811698 [1,0,0,1,0,0|2,0,0]=4 2000 B7R1.10 NC1CC(C1)CO MCULE-9310533439 [1,0,0,1,0,0|2,0,0]=4 2001 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [1,0,0,1,0,0|2,0,0]=4 2002 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [1,0,0,1,0,0|2,0,0]=4 2003 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [1,0,0,1,0,0|2,0,0]=4 2004 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [1,0,0,1,0,0|2,0,0]=4 2005 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [1,0,0,1,0,0|2,0,0]=4 2006 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [1,0,0,1,0,0|2,0,0]=4 2007 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-1976271596 [1,0,0,1,0,0|2,0,0]=4 2008 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-2004610084 [1,0,0,1,0,0|2,0,0]=4 2009 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-3406959231 [1,0,0,1,0,0|2,0,0]=4 2010 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-9771399616 [1,0,0,1,0,0|2,0,0]=4 2011 B7R1.10 OC1CC(C1)CBr MCULE-8641406432 [1,0,0,1,0,0|2,0,0]=4 2012 B7R1.10 OC1CC(C1)CF MCULE-9152872996 [1,0,0,1,0,0|2,0,0]=4 2013 B7R1.10 OCC1CC(C1)Br MCULE-6426656913 [1,0,0,1,0,0|2,0,0]=4 2014 B7R1.10 OCC1CC(C1)Cl MCULE-8102550006 [1,0,0,1,0,0|2,0,0]=4 2015 B7R1.10 OCC1CC(C1)F MCULE-8343173774 [1,0,0,1,0,0|2,0,0]=4 2016 B7R1.10 OCC1CC(C1)O MCULE-3885216336 [1,0,0,1,0,0|1,0,0]=3 2017 B7R1.10 OC[C@H]1C[C@H](C1)O MCULE-2350233032 [1,0,0,1,0,0|1,0,0]=3 2018 B7R1.10 O[C@H]1C[C@H](C1)CF MCULE-2417083162 [1,0,0,1,0,0|2,0,0]=4 2019 B7R1.21 CC1(CC1)CCO MCULE-4173763460 [1,0,0,1,0,0|2,0,0]=4 2020 B7R1.21 NC1(CC1)CCO MCULE-6023170197 [1,0,0,1,0,0|2,0,0]=4 2021 B7R1.21 NC1(CC1)CCO MCULE-6146864546 [1,0,0,1,0,0|2,0,0]=4 2022 B7R1.21 NCCC1(CC1)O MCULE-7254265215 [1,0,0,1,0,0|2,0,0]=4 2023 B7R1.21 NCCC1(CC1)O MCULE-9873887297 [1,0,0,1,0,0|2,0,0]=4 2024 B7R1.21 OC1(CC1)CCBr MCULE-4785989916 [1,0,0,1,0,0|2,0,0]=4 2025 B7R1.21 OCCC1(CC1)O MCULE-9575986419 [1,0,0,1,0,0|1,0,0]=3 2026 B7R1.22 C=C[C@H](O)[C@H]1CO1 MCULE-8949250499 [1,0,0,1,0,0|1,0,1]=4 2027 B7R1.22 CC(CO)C1CC1 MCULE-8325587009 [1,0,0,1,0,0|2,0,0]=4 2028 B7R1.22 CCC(O)C1CC1 MCULE-5753196768 [1,0,0,1,0,0|2,0,0]=4 2029 B7R1.22 ClCC(Cl)C1CO1 MCULE-4739045871 [1,0,0,1,0,0|2,0,0]=4 2030 B7R1.22 NC(CO)C1CC1 MCULE-5154854421 [1,0,0,1,0,0|2,0,0]=4 2031 B7R1.22 NC(CO)C1CC1 MCULE-8775546228 [1,0,0,1,0,0|2,0,0]=4 2032 B7R1.22 NCC(O)C1CC1 MCULE-4953920778 [1,0,0,1,0,0|2,0,0]=4 2033 B7R1.22 NCC(O)C1CC1 MCULE-5905916662 [1,0,0,1,0,0|2,0,0]=4 2034 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5231249344 [1,0,0,1,0,0|2,0,0]=4 2035 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5233980282 [1,0,0,1,0,0|2,0,0]=4 2036 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9664157108 [1,0,0,1,0,0|2,0,0]=4 2037 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9941605288 [1,0,0,1,0,0|2,0,0]=4 2038 B7R1.22 N[C@H](CO)C1CC1 MCULE-3523450080 [1,0,0,1,0,0|2,0,0]=4 2039 B7R1.22 N[C@H](CO)C1CC1 MCULE-6097147899 [1,0,0,1,0,0|2,0,0]=4 2040 B7R1.22 N[C@H](CO)C1CC1 MCULE-9050007019 [1,0,0,1,0,0|2,0,0]=4 2041 B7R1.22 N[C@H](CO)C1CC1 MCULE-9945100855 [1,0,0,1,0,0|2,0,0]=4 2042 B7R1.22 OC(CBr)C1CC1 MCULE-1163924206 [1,0,0,1,0,0|2,0,0]=4 2043 B7R1.22 OCC(O)C1CC1 MCULE-9694056700 [1,0,0,1,0,0|1,0,0]=3 2044 B7R1.25 CC1(CCC1)CO MCULE-9646690839 [1,0,0,1,0,0|2,0,0]=4 2045 B7R1.25 CC1(CCN1)CO MCULE-2134260042 [1,0,0,1,0,0|2,0,0]=4 2046 B7R1.25 CC1(CCN1)CO MCULE-3210259937 [1,0,0,1,0,0|2,0,0]=4 2047 B7R1.25 CC1(CCO1)CN MCULE-1371408706 [1,0,0,1,0,0|2,0,0]=4 2048 B7R1.25 CC1(CCO1)CO MCULE-6424264752 [1,0,0,1,0,0|1,0,0]=3 2049 B7R1.25 C[C@@]1(CCO1)CN MCULE-8755107224 [1,0,0,1,0,0|2,0,0]=4 2050 B7R1.25 C[C@@]1(CCO1)CO MCULE-4685471926 [1,0,0,1,0,0|1,0,0]=3 2051 B7R1.25 C[C@@]1(CCO1)CO MCULE-5799098537 [1,0,0,1,0,0|1,0,0]=3 2052 B7R1.25 C[C@]1(CCO1)CO MCULE-5749345841 [1,0,0,1,0,0|1,0,0]=3 2053 B7R1.25 NC1(CCC1)CO MCULE-3303213714 [1,0,0,1,0,0|2,0,0]=4 2054 B7R1.25 NC1(CCC1)CO MCULE-7230626576 [1,0,0,1,0,0|2,0,0]=4 2055 B7R1.25 NCC1(CCC1)O MCULE-1242555690 [1,0,0,1,0,0|2,0,0]=4 2056 B7R1.25 OC1(CCC1)CBr MCULE-7282991867 [1,0,0,1,0,0|2,0,0]=4 2057 B7R1.25 OCC1(CCC1)F MCULE-5944864184 [1,0,0,1,0,0|2,0,0]=4 2058 B7R1.25 OCC1(CCC1)O MCULE-2830358505 [1,0,0,1,0,0|1,0,0]=3 2059 B7R1.25 OCC1(CNC1)O MCULE-1089145184 [1,0,0,1,0,0|2,0,0]=4 2060 B7R1.25 OCC1(CNC1)O MCULE-8217738451 [1,0,0,1,0,0|2,0,0]=4 2061 B7R1.25 OCC1(CNC1)O MCULE-9215525935 [1,0,0,1,0,0|2,0,0]=4 2062 B7R1.25 OCC1(CNC1)O MCULE-9389454165 [1,0,0,1,0,0|2,0,0]=4 2063 B7R1.25 OCC1(COC1)O MCULE-4207928663 [1,0,0,1,0,0|2,0,0]=4 2064 B7R1.27 CC1(CC1Br)CO MCULE-5286402958 [1,0,0,1,0,0|2,0,0]=4 2065 B7R1.27 CC1(CC1F)CO MCULE-9626513813 [1,0,0,1,0,0|2,0,0]=4 2066 B7R1.17 CC1(CCC1O)C MCULE-7385359414 [1,0,0,1,0,0|2,0,0]=4 2067 B7R1.17 CC1(CC[C@@H]1O)C MCULE-9766955692 [1,0,0,1,0,0|2,0,0]=4 2068 B7R1.17 CC1(NCC1O)C MCULE-5840741801 [1,0,0,1,0,0|2,0,0]=4 2069 B7R1.17 CC1(NCC1O)C MCULE-7044413523 [1,0,0,1,0,0|2,0,0]=4 2070 B7R1.17 CC1(OCC1N)C MCULE-2792085100 [1,0,0,1,0,0|2,0,0]=4 2071 B7R1.17 CC1(OCC1O)C MCULE-4679216060 [1,0,0,1,0,0|1,0,0]=3 2072 B7R1.17 CC1(OC[C@@H]1N)C MCULE-1806722832 [1,0,0,1,0,0|2,0,0]=4 2073 B7R1.18 CC(N)C1COC1 MCULE-1380624257 [1,0,0,1,0,0|2,0,0]=4 2074 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [1,0,0,1,0,0|2,0,0]=4 2075 B7R1.18 CC(O)C1CNC1 MCULE-1265886795 [1,0,0,1,0,0|2,0,0]=4 2076 B7R1.18 CC(O)C1CNC1 MCULE-5108259269 [1,0,0,1,0,0|2,0,0]=4 2077 B7R1.18 CC(O)C1CNC1 MCULE-8265279011 [1,0,0,1,0,0|2,0,0]=4 2078 B7R1.18 CC(O)C1COC1 MCULE-4981198639 [1,0,0,1,0,0|1,0,0]=3 2079 B7R1.18 C[C@@H](N)C1COC1 MCULE-7669553866 [1,0,0,1,0,0|2,0,0]=4 2080 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [1,0,0,1,0,0|2,0,0]=4 2081 B7R1.18 C[C@@H](O)C1COC1 MCULE-5223611242 [1,0,0,1,0,0|1,0,0]=3 2082 B7R1.18 C[C@@H](O)C1COC1 MCULE-5819578881 [1,0,0,1,0,0|1,0,0]=3 2083 B7R1.18 C[C@H](N)C1COC1 MCULE-8337949293 [1,0,0,1,0,0|2,0,0]=4 2084 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [1,0,0,1,0,0|2,0,0]=4 2085 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [1,0,0,1,0,0|2,0,0]=4 2086 B7R1.18 C[C@H](O)C1CNC1 MCULE-4694154501 [1,0,0,1,0,0|2,0,0]=4 2087 B7R1.18 C[C@H](O)C1CNC1 MCULE-5870270724 [1,0,0,1,0,0|2,0,0]=4 2088 B7R1.18 C[C@H](O)C1COC1 MCULE-1396791034 [1,0,0,1,0,0|1,0,0]=3 2089 B7R1.18 C[C@H](O)C1COC1 MCULE-8805369596 [1,0,0,1,0,0|1,0,0]=3 2090 B7R1.19 CC(C)C1(CC1)O MCULE-3516849541 [1,0,0,1,0,0|2,0,0]=4 2091 B7R1.19 CC(C)C1(CO1)C MCULE-6945955143 [1,0,0,1,0,0|2,0,0]=4 2092 B7R1.19 CC(N)C1(CC1)O MCULE-9318031577 [1,0,0,1,0,0|2,0,0]=4 2093 B7R1.19 CC(O)C1(CC1)C MCULE-6644959738 [1,0,0,1,0,0|2,0,0]=4 2094 B7R1.19 CC(O)C1(CC1)N MCULE-7865299177 [1,0,0,1,0,0|2,0,0]=4 2095 B7R1.23 CC1(CC1CO)Br MCULE-1246890004 [1,0,0,1,0,0|2,0,0]=4 2096 B7R1.23 CC1(CC1CO)C MCULE-3855230422 [1,0,0,1,0,0|2,0,0]=4 2097 B7R1.23 CC1(C[C@@H]1CO)C MCULE-2771980454 [1,0,0,1,0,0|2,0,0]=4 2098 B7R1.23 CC1(C[C@H]1CO)C MCULE-7876524457 [1,0,0,1,0,0|2,0,0]=4 2099 B7R1.23 CC1(OC1CBr)C MCULE-1797899499 [1,0,0,1,0,0|2,0,0]=4 2100 B7R1.23 CC1(OC1CCl)C MCULE-6494110934 [1,0,0,1,0,0|2,0,0]=4 2101 B7R1.23 CC1(OC1CO)C MCULE-5147602353 [1,0,0,1,0,0|1,0,0]=3 2102 B9R1.2 CCC1CC(CCO1)O MCULE-2215415390 [0,0,0,1,0,1|2,0,0]=4 2103 B9R1.2 NC1CCOC(C1)CO MCULE-2895862257 [0,0,0,1,0,1|2,0,0]=4 2104 B9R1.2 NC1CCOC(C1)CO MCULE-9883092947 [0,0,0,1,0,1|2,0,0]=4 2105 B9R1.2 OC[C@@H]1C[C@@H](CCN1)O MCULE-6189374946 [0,0,0,1,0,1|2,0,0]=4 2106 B9R1.2 OC[C@@H]1C[C@@H](CCN1)O MCULE-7813341428 [0,0,0,1,0,1|2,0,0]=4 2107 B9R1.2 OC[C@H]1C[C@H](CCN1)O MCULE-6277104745 [0,0,0,1,0,1|2,0,0]=4 2108 B9R1.2 OC[C@H]1C[C@H](CCN1)O MCULE-9933354273 [0,0,0,1,0,1|2,0,0]=4 2109 B9R1.21 OCC1CCC(N1)CO MCULE-1103775354 [0,0,0,1,0,1|2,0,0]=4 2110 B9R1.21 OCC1CCC(O1)CO MCULE-3334782559 [0,0,0,1,0,1|2,0,0]=4 2111 B9R1.21 OCC1CNC(C1)CO MCULE-7672485489 [0,0,0,1,0,1|2,0,0]=4 2112 B9R1.21 OCC1CNC(C1)CO MCULE-7965706550 [0,0,0,1,0,1|2,0,0]=4 2113 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO MCULE-5217154467 [0,0,0,1,0,1|2,0,0]=4 2114 B9R1.23 OCC1CC(C(O1)O)O MCULE-1894937679 [0,0,0,1,0,1|0,0,0]=2 2115 B9R1.37 CC1OC(C(C1O)O)O MCULE-7774087123 [0,0,0,1,0,1|1,0,0]=3 2116 B9R1.37 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-7192019909 [0,0,0,1,0,1|1,0,0]=3 2117 B9R1.37 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-9128030642 [0,0,0,1,0,1|1,0,0]=3 2118 B9R1.69 OC1CC(C(CO1)O)O MCULE-3654762746 [0,0,0,1,0,1|2,0,0]=4 2119 B9R1.69 OC1C[C@@H]([C@@H](CO1)O)O MCULE-2084054051 [0,0,0,1,0,1|2,0,0]=4 2120 B9R1.69 OC1C[C@@H]([C@@H](CO1)O)O MCULE-9105480679 [0,0,0,1,0,1|2,0,0]=4 2121 B9R1.69 OC1C[C@H]([C@H](CO1)O)O MCULE-7375065985 [0,0,0,1,0,1|2,0,0]=4 2122 B9R1.125 CC1(CC(CN1)O)CO MCULE-2899118253 [0,0,0,1,0,1|2,0,0]=4 2123 B9R1.125 CC1(CC(CN1)O)CO MCULE-8954323319 [0,0,0,1,0,1|2,0,0]=4 2124 B9R1.3 CC1OCCC(C1O)O MCULE-6494583965 [0,1,0,1,0,0|1,0,0]=3 2125 B9R1.3 C[C@@H]1CNC[C@@H]([C@@H]1O)O MCULE-4065345114 [0,1,0,1,0,0|2,0,0]=4 2126 B9R1.3 C[C@@H]1CNC[C@@H]([C@@H]1O)O MCULE-5732596905 [0,1,0,1,0,0|2,0,0]=4 2127 B9R1.3 C[C@H]1CNC[C@@H]([C@@H]1O)O MCULE-3640440568 [0,1,0,1,0,0|2,0,0]=4 2128 B9R1.3 C[C@H]1CNC[C@@H]([C@@H]1O)O MCULE-9501528896 [0,1,0,1,0,0|2,0,0]=4 2129 B9R1.3 NC1C(CCCC1O)O MCULE-1978359416 [0,1,0,1,0,0|2,0,0]=4 2130 B9R1.3 N[C@@H]1CCC[C@H]([C@@H]1O)O MCULE-7294484287 [0,1,0,1,0,0|2,0,0]=4 2131 B9R1.3 N[C@H]1CCC[C@@H]([C@@H]1O)O MCULE-4901407173 [0,1,0,1,0,0|2,0,0]=4 2132 B9R1.3 N[C@H]1CCC[C@H]([C@@H]1O)O MCULE-2706489441 [0,1,0,1,0,0|2,0,0]=4 2133 B9R1.3 OC1CCCC(C1O)O MCULE-2835511427 [0,1,0,1,0,0|1,0,0]=3 2134 B9R1.3 [C@@H]1(CCC[C@H]([C@@H]1N)O)O MCULE-9327450801 [0,1,0,1,0,0|2,0,0]=4 2135 B9R1.132 OCC1NCC(C1O)O MCULE-7093172739 [0,1,0,1,0,0|1,0,0]=3 2136 B9R1.132 OCC1NCC(C1O)O MCULE-9377849443 [0,1,0,1,0,0|1,0,0]=3 2137 B9R1.132 OCC1OCC(C1O)O MCULE-6035918255 [0,1,0,1,0,0|0,0,0]=2 2138 B9R1.132 OC[C@@H]1OC[C@H]([C@H]1O)O MCULE-5977248366 [0,1,0,1,0,0|0,0,0]=2 2139 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-1707860323 [0,1,0,1,0,0|1,0,0]=3 2140 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-3279393618 [0,1,0,1,0,0|1,0,0]=3 2141 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-8001939489 [0,1,0,1,0,0|1,0,0]=3 2142 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-9735967120 [0,1,0,1,0,0|1,0,0]=3 2143 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O MCULE-2264267716 [0,1,0,1,0,0|1,0,0]=3 2144 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O MCULE-3690741497 [0,1,0,1,0,0|1,0,0]=3 2145 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-1695946114 [0,1,0,1,0,0|1,0,0]=3 2146 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-4767198765 [0,1,0,1,0,0|1,0,0]=3 2147 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-7740799111 [0,1,0,1,0,0|1,0,0]=3 2148 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-9816210484 [0,1,0,1,0,0|1,0,0]=3 2149 B9R1.132 OC[C@H]1OC[C@@H]([C@@H]1O)O MCULE-2426542638 [0,1,0,1,0,0|0,0,0]=2 2150 B9R1.132 OC[C@H]1OC[C@@H]([C@H]1O)O MCULE-2697830391 [0,1,0,1,0,0|0,0,0]=2 2151 B9R1.132 OC[C@H]1OC[C@@H]([C@H]1O)O MCULE-3664631398 [0,1,0,1,0,0|0,0,0]=2 2152 B9R1.132 OC[C@H]1SC[C@@H]([C@@H]1O)O MCULE-5460809648 [0,1,0,1,0,0|0,1,0]=3 2153 B9R1.5 OC1CCCCCC1O MCULE-7682077273 [0,1,0,1,0,0|2,0,0]=4 2154 B9R1.5 O[C@H]1CCCCC[C@@H]1O MCULE-9651607332 [0,1,0,1,0,0|2,0,0]=4 2155 B9R1.11 NC(CO)C1CCCO1 MCULE-1115414738 [0,1,0,1,0,0|2,0,0]=4 2156 B9R1.11 NC(CO)C1CCOC1 MCULE-3949685203 [0,1,0,1,0,0|2,0,0]=4 2157 B9R1.11 NC(CO)C1CCOC1 MCULE-7535404270 [0,1,0,1,0,0|2,0,0]=4 2158 B9R1.11 NCC(O)C1CCCO1 MCULE-1674634827 [0,1,0,1,0,0|2,0,0]=4 2159 B9R1.11 NCC(O)C1CCOC1 MCULE-2353712692 [0,1,0,1,0,0|2,0,0]=4 2160 B9R1.11 NCC(O)C1CCOC1 MCULE-2647033518 [0,1,0,1,0,0|2,0,0]=4 2161 B9R1.15 CCC1COCCC1O MCULE-9521346817 [0,1,0,1,0,0|2,0,0]=4 2162 B9R1.15 COC1CCCCC1O MCULE-9502513295 [0,1,0,1,0,0|2,0,0]=4 2163 B9R1.15 COC1CCNCC1O MCULE-4844568872 [0,1,0,1,0,0|2,0,0]=4 2164 B9R1.15 COC1CCNCC1O MCULE-5658669344 [0,1,0,1,0,0|2,0,0]=4 2165 B9R1.15 COC1CCOCC1N MCULE-2339019157 [0,1,0,1,0,0|2,0,0]=4 2166 B9R1.15 COC1CCOCC1N MCULE-3754642498 [0,1,0,1,0,0|2,0,0]=4 2167 B9R1.15 COC1COCCC1N MCULE-2610127479 [0,1,0,1,0,0|2,0,0]=4 2168 B9R1.15 COC1COCCC1N MCULE-5980111106 [0,1,0,1,0,0|2,0,0]=4 2169 B9R1.15 COC1COCCC1O MCULE-4002896267 [0,1,0,1,0,0|1,0,0]=3 2170 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-1786216428 [0,1,0,1,0,0|2,0,0]=4 2171 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-5747785572 [0,1,0,1,0,0|2,0,0]=4 2172 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-8933003557 [0,1,0,1,0,0|2,0,0]=4 2173 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-9963782997 [0,1,0,1,0,0|2,0,0]=4 2174 B9R1.15 CO[C@@H]1CCOC[C@@H]1N MCULE-1952254967 [0,1,0,1,0,0|2,0,0]=4 2175 B9R1.15 CO[C@@H]1CCOC[C@@H]1N MCULE-6506526189 [0,1,0,1,0,0|2,0,0]=4 2176 B9R1.15 CO[C@@H]1CCOC[C@H]1N MCULE-4110998380 [0,1,0,1,0,0|2,0,0]=4 2177 B9R1.15 CO[C@@H]1CCOC[C@H]1N MCULE-4975019043 [0,1,0,1,0,0|2,0,0]=4 2178 B9R1.15 CO[C@@H]1CCOC[C@H]1N MCULE-7897581898 [0,1,0,1,0,0|2,0,0]=4 2179 B9R1.15 CO[C@@H]1CCOC[C@H]1N MCULE-9438744527 [0,1,0,1,0,0|2,0,0]=4 2180 B9R1.15 CO[C@@H]1COCC[C@@H]1N MCULE-1690232834 [0,1,0,1,0,0|2,0,0]=4 2181 B9R1.15 CO[C@@H]1COCC[C@@H]1N MCULE-3005233421 [0,1,0,1,0,0|2,0,0]=4 2182 B9R1.15 CO[C@@H]1COCC[C@@H]1N MCULE-3350884306 [0,1,0,1,0,0|2,0,0]=4 2183 B9R1.15 CO[C@@H]1COCC[C@H]1N MCULE-5292719252 [0,1,0,1,0,0|2,0,0]=4 2184 B9R1.15 CO[C@@H]1COCC[C@H]1N MCULE-5893587941 [0,1,0,1,0,0|2,0,0]=4 2185 B9R1.15 CO[C@@H]1COCC[C@H]1N MCULE-6732618277 [0,1,0,1,0,0|2,0,0]=4 2186 B9R1.15 CO[C@@H]1COCC[C@H]1N MCULE-7200503666 [0,1,0,1,0,0|2,0,0]=4 2187 B9R1.15 CO[C@@H]1COCC[C@H]1N MCULE-7347456098 [0,1,0,1,0,0|2,0,0]=4 2188 B9R1.15 CO[C@@H]1COCC[C@H]1N MCULE-7764251079 [0,1,0,1,0,0|2,0,0]=4 2189 B9R1.15 CO[C@@H]1COCC[C@H]1N MCULE-9959357254 [0,1,0,1,0,0|2,0,0]=4 2190 B9R1.15 CO[C@H]1CCCC[C@@H]1O MCULE-5178021878 [0,1,0,1,0,0|2,0,0]=4 2191 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-6153348705 [0,1,0,1,0,0|2,0,0]=4 2192 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-8285848321 [0,1,0,1,0,0|2,0,0]=4 2193 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-8316883665 [0,1,0,1,0,0|2,0,0]=4 2194 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-8980786259 [0,1,0,1,0,0|2,0,0]=4 2195 B9R1.15 CO[C@H]1CCOC[C@@H]1N MCULE-2730884989 [0,1,0,1,0,0|2,0,0]=4 2196 B9R1.15 CO[C@H]1CCOC[C@@H]1N MCULE-4217006981 [0,1,0,1,0,0|2,0,0]=4 2197 B9R1.15 CO[C@H]1CCOC[C@H]1N MCULE-1293806136 [0,1,0,1,0,0|2,0,0]=4 2198 B9R1.15 CO[C@H]1CCOC[C@H]1N MCULE-5751918733 [0,1,0,1,0,0|2,0,0]=4 2199 B9R1.15 CO[C@H]1CCOC[C@H]1N MCULE-7877424101 [0,1,0,1,0,0|2,0,0]=4 2200 B9R1.15 CO[C@H]1CCOC[C@H]1N MCULE-9079567930 [0,1,0,1,0,0|2,0,0]=4 2201 B9R1.15 CO[C@H]1COCC[C@@H]1N MCULE-2924350485 [0,1,0,1,0,0|2,0,0]=4 2202 B9R1.15 CO[C@H]1COCC[C@@H]1N MCULE-6248531340 [0,1,0,1,0,0|2,0,0]=4 2203 B9R1.15 CO[C@H]1COCC[C@@H]1N MCULE-9169417719 [0,1,0,1,0,0|2,0,0]=4 2204 B9R1.15 CO[C@H]1COCC[C@@H]1N MCULE-9444528578 [0,1,0,1,0,0|2,0,0]=4 2205 B9R1.15 CO[C@H]1COCC[C@H]1N MCULE-5932043600 [0,1,0,1,0,0|2,0,0]=4 2206 B9R1.15 CO[C@H]1COCC[C@H]1N MCULE-6623157502 [0,1,0,1,0,0|2,0,0]=4 2207 B9R1.15 CO[C@H]1COCC[C@H]1N MCULE-7220613082 [0,1,0,1,0,0|2,0,0]=4 2208 B9R1.15 CO[C@H]1COCC[C@H]1N MCULE-8475817626 [0,1,0,1,0,0|2,0,0]=4 2209 B9R1.15 NC1CCOCC1CO MCULE-7912086901 [0,1,0,1,0,0|2,0,0]=4 2210 B9R1.15 NC1COCCC1CO MCULE-3392980000 [0,1,0,1,0,0|2,0,0]=4 2211 B9R1.15 NC1COCCC1CO MCULE-8617350186 [0,1,0,1,0,0|2,0,0]=4 2212 B9R1.15 N[C@H]1COCC[C@H]1CO MCULE-5880045699 [0,1,0,1,0,0|2,0,0]=4 2213 B9R1.15 N[C@H]1COCC[C@H]1CO MCULE-8504787876 [0,1,0,1,0,0|2,0,0]=4 2214 B9R1.15 OCC1CCCCC1O MCULE-1945714569 [0,1,0,1,0,0|2,0,0]=4 2215 B9R1.15 OCC1CCNCC1O MCULE-7571515188 [0,1,0,1,0,0|2,0,0]=4 2216 B9R1.15 OCC1CCNCC1O MCULE-8029631005 [0,1,0,1,0,0|2,0,0]=4 2217 B9R1.15 OCC1CNCCC1O MCULE-1394638729 [0,1,0,1,0,0|2,0,0]=4 2218 B9R1.15 OCC1CNCCC1O MCULE-3316949664 [0,1,0,1,0,0|2,0,0]=4 2219 B9R1.15 OCC1NCCCC1O MCULE-4567185313 [0,1,0,1,0,0|2,0,0]=4 2220 B9R1.15 OCC1NCCCC1O MCULE-6603271501 [0,1,0,1,0,0|2,0,0]=4 2221 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-3094062800 [0,1,0,1,0,0|2,0,0]=4 2222 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-6303448234 [0,1,0,1,0,0|2,0,0]=4 2223 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-6793824447 [0,1,0,1,0,0|2,0,0]=4 2224 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-9672123449 [0,1,0,1,0,0|2,0,0]=4 2225 B9R1.15 OC[C@@H]1CCNC[C@H]1O MCULE-2277053036 [0,1,0,1,0,0|2,0,0]=4 2226 B9R1.15 OC[C@@H]1CCNC[C@H]1O MCULE-4840185571 [0,1,0,1,0,0|2,0,0]=4 2227 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-1589442124 [0,1,0,1,0,0|2,0,0]=4 2228 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-5378098662 [0,1,0,1,0,0|2,0,0]=4 2229 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-5907126780 [0,1,0,1,0,0|2,0,0]=4 2230 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-6675818472 [0,1,0,1,0,0|2,0,0]=4 2231 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-1138683406 [0,1,0,1,0,0|2,0,0]=4 2232 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-2009456098 [0,1,0,1,0,0|2,0,0]=4 2233 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-6847756490 [0,1,0,1,0,0|2,0,0]=4 2234 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-8689272206 [0,1,0,1,0,0|2,0,0]=4 2235 B9R1.15 OC[C@H]1CNCC[C@H]1O MCULE-1702794715 [0,1,0,1,0,0|2,0,0]=4 2236 B9R1.15 OC[C@H]1CNCC[C@H]1O MCULE-9636833446 [0,1,0,1,0,0|2,0,0]=4 2237 B9R1.15 OC[C@H]1OCC=C[C@@H]1O MCULE-3248185970 [0,1,0,1,0,0|1,0,1]=4 2238 B9R1.15 [C@H]1(CNCC[C@H]1CO)O MCULE-6865852051 [0,1,0,1,0,0|2,0,0]=4 2239 B9R1.22 NC1CC(C(C1)CO)O MCULE-6483016480 [0,1,0,1,0,0|2,0,0]=4 2240 B9R1.22 NC1CC(C(C1)CO)O MCULE-7351789396 [0,1,0,1,0,0|2,0,0]=4 2241 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-1625502283 [0,1,0,1,0,0|2,0,0]=4 2242 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-2916623249 [0,1,0,1,0,0|2,0,0]=4 2243 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-3265275024 [0,1,0,1,0,0|2,0,0]=4 2244 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-5953198671 [0,1,0,1,0,0|2,0,0]=4 2245 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-6935436356 [0,1,0,1,0,0|2,0,0]=4 2246 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-8122722811 [0,1,0,1,0,0|2,0,0]=4 2247 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [0,1,0,1,0,0|0,0,1]=3 2248 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [0,1,0,1,0,0|0,0,1]=3 2249 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [0,1,0,1,0,0|0,0,1]=3 2250 B9R1.22 OCC1OC(CC1O)O MCULE-1321369472 [0,1,0,1,0,0|0,0,0]=2 2251 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-2396008864 [0,1,0,1,0,0|0,0,0]=2 2252 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-3186725991 [0,1,0,1,0,0|0,0,0]=2 2253 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-8127322430 [0,1,0,1,0,0|0,0,0]=2 2254 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O MCULE-5678157789 [0,1,0,1,0,0|0,0,0]=2 2255 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [0,1,0,1,0,0|0,0,1]=3 2256 B9R1.33 CCNC1COCC1O MCULE-7678905536 [0,1,0,1,0,0|2,0,0]=4 2257 B9R1.33 CCN[C@H]1COC[C@@H]1O MCULE-1056741017 [0,1,0,1,0,0|2,0,0]=4 2258 B9R1.33 CCN[C@H]1COC[C@@H]1O MCULE-9348333209 [0,1,0,1,0,0|2,0,0]=4 2259 B9R1.33 OCCC1CCCC1O MCULE-2038693822 [0,1,0,1,0,0|2,0,0]=4 2260 B9R1.74 COCC(O)C1(CC1)N MCULE-8418151970 [0,1,0,1,0,0|2,0,0]=4 2261 B9R1.40 CC1(CCOCC1O)O MCULE-9069325911 [0,1,0,1,0,0|1,0,0]=3 2262 B9R1.40 CC1(COCCC1O)C MCULE-5191216126 [0,1,0,1,0,0|2,0,0]=4 2263 B9R1.40 C[C@@]1(CCOC[C@H]1O)O MCULE-3803598208 [0,1,0,1,0,0|1,0,0]=3 2264 B9R1.40 OC1(CCOCC1F)O MCULE-5129581737 [0,1,0,1,0,0|2,0,0]=4 2265 B9R1.40 OC1(CCOC[C@@H]1F)O MCULE-4768109328 [0,1,0,1,0,0|2,0,0]=4 2266 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O MCULE-6247915400 [0,1,0,1,0,0|0,0,2]=4 2267 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O MCULE-6635734630 [0,1,0,1,0,0|0,0,2]=4 2268 B9R1.14 OCC1CNCC1CO MCULE-3216303466 [0,1,0,1,0,0|2,0,0]=4 2269 B9R1.14 OCC1CNCC1CO MCULE-8556792970 [0,1,0,1,0,0|2,0,0]=4 2270 B9R1.14 OC[C@@H]1CNC[C@@H]1CO MCULE-5441133280 [0,1,0,1,0,0|2,0,0]=4 2271 B9R1.14 OC[C@@H]1CNC[C@@H]1CO MCULE-8785740812 [0,1,0,1,0,0|2,0,0]=4 2272 B9R1.14 OC[C@@H]1CNC[C@H]1CO MCULE-1923940000 [0,1,0,1,0,0|2,0,0]=4 2273 B9R1.14 OC[C@@H]1CNC[C@H]1CO MCULE-8086146822 [0,1,0,1,0,0|2,0,0]=4 2274 B9R1.14 OC[C@H]1CNC[C@@H]1CO MCULE-3807624796 [0,1,0,1,0,0|2,0,0]=4 2275 B9R1.14 OC[C@H]1CNC[C@@H]1CO MCULE-7784303809 [0,1,0,1,0,0|2,0,0]=4 2276 B9R1.70 COC(CO)C1CCC1 MCULE-6598157025 [0,1,0,1,0,0|2,0,0]=4 2277 B9R1.70 OCC(CO)C1CCC1 MCULE-1317295718 [0,1,0,1,0,0|2,0,0]=4 2278 B9R1.120 CC1CCC1(CO)CO MCULE-7776828217 [0,1,0,1,0,0|2,0,0]=4 2279 B9R2.39 OC1CC2CCC1O2 MCULE-3124193235 [0,0,0,2,0,0|2,0,0]=4 2280 B9R2.39 [C@@H]12CC[C@@H](O1)[C@H](C2)O MCULE-2630669259 [0,0,0,2,0,0|2,0,0]=4 2281 B9R2.56 OCC12COCC1C2 MCULE-7115607299 [0,0,0,2,0,0|2,0,0]=4 2282 B9R2.56 [C@@H]12COC[C@@]1(C2)CO MCULE-3925746673 [0,0,0,2,0,0|2,0,0]=4 2283 B9R2.56 [C@@H]12COC[C@@]1(C2)CO MCULE-6112691555 [0,0,0,2,0,0|2,0,0]=4 2284 B9R2.56 [C@H]12COC[C@]1(C2)CO MCULE-8930198647 [0,0,0,2,0,0|2,0,0]=4 2285 B9R2.56 [C@H]12COC[C@]1(C2)CO MCULE-9519595251 [0,0,0,2,0,0|2,0,0]=4 2286 B9R2.140 OC1CCC12COC2 MCULE-5757589077 [0,0,0,2,0,0|2,0,0]=4 2287 B9R2.140 OC1COC12CCC2 MCULE-1719734089 [0,0,0,2,0,0|2,0,0]=4 2288 B9R2.140 O[C@H]1CCC12COC2 MCULE-6567729778 [0,0,0,2,0,0|2,0,0]=4 2289 B9R0.24 CCC(O)CCC(O)CC MCULE-1642680986 [0,0,0,0,0,2|2,0,0]=4 2290 B9R0.24 CC[C@@H](O)CC[C@H](O)CC MCULE-1865073881 [0,0,0,0,0,2|2,0,0]=4 2291 B9R0.24 CC[C@@H](O)CC[C@H](O)CC MCULE-3722023249 [0,0,0,0,0,2|2,0,0]=4 2292 B9R0.24 CC[C@H](O)CC[C@@H](O)CC MCULE-2960364022 [0,0,0,0,0,2|2,0,0]=4 2293 B9R0.24 CC[C@H](O)CC[C@@H](O)CC MCULE-6575186172 [0,0,0,0,0,2|2,0,0]=4