0 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,0,0,0,0,0|0,0,2]=2 9 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,0,0,0,0,0|0,0,2]=2 11 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,0,0,0,0,0|0,0,2]=2 12 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,0,0,0,0,0|0,0,2]=2 13 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,0,0,0,0,0|0,0,2]=2 15 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,0,0,0,0,0|1,0,1]=2 16 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,0,0,0,0,0|1,0,3]=4 19 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,0,0,0,0,0|0,0,2]=2 22 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,0,0,0,0,0|0,0,2]=2 23 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,0,0,0,0,0|0,0,2]=2 24 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,0,0,0,0,0|0,0,2]=2 25 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,0,0,0,0,0|1,0,2]=3 26 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,0,0,0,0,0|0,0,2]=2 27 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,0,0,0,0,0|0,0,2]=2 28 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,0,0,0,0,0|0,0,2]=2 29 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,0,0,0,0,0|0,0,2]=2 30 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,0,0,0,0,0|0,0,2]=2 32 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,0,0,0,0,0|0,0,2]=2 33 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,0,0,0,0,0|0,0,2]=2 34 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,0,0,0,0,0|0,0,2]=2 35 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,0,0,0,0,0|1,0,2]=3 36 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.5 CC(C)C(N)CCO MCULE-4571836019 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.5 CC(C)[C@H](N)CCO MCULE-5628923252 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,0,0,0,0,0|2,0,0]=2 49 B7R0.5 CC(CCN)S(=O)C MCULE-4983155747 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,0,0,0,0,0|3,0,0]=3 51 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.5 CC(N=N#N)C(=O)O MCULE-1449528032 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.5 CC(N=N#N)C(=O)O MCULE-6367123914 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,0,0,0,0,0|1,0,2]=3 58 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,0,0,0,0,0|1,0,2]=3 59 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,0,0,0,0,0|1,0,2]=3 60 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,0,0,0,0,0|1,0,2]=3 61 B7R0.5 CCCC(=C(F)F)F MCULE-1831306144 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,0,0,0,0,0|1,0,1]=2 65 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,0,0,0,0,0|2,0,0]=2 66 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,0,0,0,0,0|1,0,0]=1 67 B7R0.5 CCCC(Br)C(C)Br MCULE-4740207556 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,0,0,0,0,0|2,0,0]=2 69 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,0,0,0,0,0|2,0,0]=2 70 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,0,0,0,0,0|1,0,0]=1 72 B7R0.5 CCCC(C)C(C)C MCULE-1008931357 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.5 CCCC(C)C(C)N MCULE-3555650010 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.5 CCCC(C)C(C)N MCULE-8637319249 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,0,0,0,0,0|1,0,0]=1 77 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,0,0,0,0,0|1,0,0]=1 78 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,0,0,0,0,0|1,0,0]=1 79 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,0,0,0,0,0|1,0,0]=1 80 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,0,0,0,0,0|0,0,0]=0 81 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,0,0,0,0,0|0,0,0]=0 82 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,0,0,0,0,0|0,0,0]=0 83 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,0,0,0,0,0|2,0,0]=2 84 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,0,0,0,0,0|1,0,0]=1 85 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,0,0,0,0,0|1,0,0]=1 86 B7R0.5 CCCC(O)C(C)C MCULE-8942406791 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [0,0,0,0,0,0|3,0,0]=3 88 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,0,0,0,0,0|0,0,0]=0 89 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,0,0,0,0,0|0,0,0]=0 90 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,0,0,0,0,0|1,0,0]=1 91 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,0,0,0,0,0|1,0,0]=1 92 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,0,0,0,0,0|1,0,0]=1 93 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,0,0,0,0,0|1,0,0]=1 94 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,0,0,0,0,0|1,0,0]=1 95 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,0,0,0,0,0|1,0,0]=1 96 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,0,0,0,0,0|0,0,0]=0 97 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,0,0,0,0,0|0,0,0]=0 98 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,0,0,0,0,0|0,0,0]=0 99 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,0,0,0,0,0|1,0,0]=1 100 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,0,0,0,0,0|1,0,0]=1 101 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,0,0,0,0,0|2,0,1]=3 102 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,0,0,0,0,0|3,0,0]=3 103 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,0,0,0,0,0|2,0,0]=2 105 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,0,0,0,0,0|2,0,0]=2 106 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,0,0,0,0,0|2,0,0]=2 107 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,0,0,0,0,0|2,0,1]=3 111 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,0,0,0,0,0|2,0,2]=4 112 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,0,0,0,0,0|2,0,0]=2 114 B7R0.5 CCOC(C)C(=S)N MCULE-2027801148 [0,0,0,0,0,0|3,1,0]=4 115 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,0,0,0,0,0|2,0,0]=2 116 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,0,0,0,0,0|2,0,0]=2 117 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,0,0,0,0,0|2,0,0]=2 118 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,0,0,0,0,0|1,0,0]=1 119 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,0,0,0,0,0|1,0,0]=1 120 B7R0.5 CNCC(N)C(C)C MCULE-6535124409 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,0,0,0,0,0|1,0,0]=1 122 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,0,0,0,0,0|1,0,0]=1 123 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,0,0,0,0,0|1,0,0]=1 124 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,0,0,0,0,0|1,0,0]=1 125 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,0,0,0,0,0|2,0,0]=2 126 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,0,0,0,0,0|3,0,0]=3 127 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,0,0,0,0,0|2,0,0]=2 128 B7R0.5 COCC(C)C(=S)N MCULE-6392999047 [0,0,0,0,0,0|3,1,0]=4 129 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,0,0,0,0,0|2,0,0]=2 130 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,0,0,0,0,0|2,0,0]=2 131 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,0,0,0,0,0|2,0,0]=2 132 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,0,0,0,0,0|1,0,0]=1 133 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,0,0,0,0,0|1,0,0]=1 134 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,0,0,0,0,0|1,0,0]=1 135 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,0,0,0,0,0|1,0,0]=1 136 B7R0.5 COCC(N)C(C)C MCULE-4185259512 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.5 COCC(N)C(C)C MCULE-6424539237 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,0,0,0,0,0|2,0,0]=2 139 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,0,0,0,0,0|1,0,0]=1 140 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,0,0,0,0,0|1,0,0]=1 141 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,0,0,0,0,0|1,0,0]=1 142 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,0,0,0,0,0|1,0,0]=1 143 B7R0.5 COC[C@@H](N)C(C)C MCULE-2081062888 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.5 COC[C@@H](N)C(C)C MCULE-3286077946 [0,0,0,0,0,0|3,0,1]=4 145 B7R0.5 COC[C@@H](N)C(C)C MCULE-3882144478 [0,0,0,0,0,0|3,0,1]=4 146 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,0,0,0,0,0|1,0,0]=1 147 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,0,0,0,0,0|1,0,0]=1 148 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,0,0,0,0,0|1,0,0]=1 149 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,0,0,0,0,0|1,0,0]=1 150 B7R0.5 COC[C@H](N)C(C)C MCULE-3191900867 [0,0,0,0,0,0|3,0,1]=4 151 B7R0.5 COC[C@H](N)C(C)C MCULE-3410691563 [0,0,0,0,0,0|3,0,1]=4 152 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,0,0,0,0,0|3,0,1]=4 153 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,0,0,0,0,0|2,0,0]=2 154 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,0,0,0,0,0|1,0,0]=1 155 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,0,0,0,0,0|1,0,0]=1 156 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,0,0,0,0,0|1,0,0]=1 157 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,0,0,0,0,0|2,0,0]=2 158 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-2214426945 [0,0,0,0,0,0|4,0,0]=4 159 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-6124505236 [0,0,0,0,0,0|4,0,0]=4 160 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-3591368470 [0,0,0,0,0,0|4,0,0]=4 161 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-5109353470 [0,0,0,0,0,0|4,0,0]=4 162 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-6277841083 [0,0,0,0,0,0|4,0,0]=4 163 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-7843278634 [0,0,0,0,0,0|4,0,0]=4 164 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,0,0,0,0,0|3,0,1]=4 165 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,0,0,0,0,0|3,0,1]=4 166 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,0,0,0,0,0|1,0,0]=1 167 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,0,0,0,0,0|1,0,0]=1 168 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,0,0,0,0,0|1,0,0]=1 169 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,0,0,0,0,0|1,0,0]=1 170 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,0,0,0,0,0|1,0,0]=1 171 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,0,0,0,0,0|1,0,0]=1 172 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,0,0,0,0,0|1,0,1]=2 173 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,0,0,0,0,0|1,0,1]=2 174 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,0,0,0,0,0|1,0,1]=2 175 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,0,0,0,0,0|3,0,0]=3 176 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,0,0,0,0,0|1,0,0]=1 177 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,0,0,0,0,0|1,0,0]=1 178 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,0,0,0,0,0|1,0,0]=1 179 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,0,0,0,0,0|1,0,0]=1 180 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,0,0,0,0,0|1,0,0]=1 181 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,0,0,0,0,0|1,0,0]=1 182 B7R0.5 NC(CCO)C(F)F MCULE-1854847569 [0,0,0,0,0,0|3,0,1]=4 183 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,0,0,0,0,0|1,0,0]=1 184 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,0,0,0,0,0|1,0,0]=1 185 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,0,0,0,0,0|2,0,0]=2 186 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,0,0,0,0,0|2,0,0]=2 187 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,0,0,0,0,0|2,0,0]=2 188 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,0,0,0,0,0|1,0,0]=1 189 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,0,0,0,0,0|1,0,0]=1 190 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,0,0,0,0,0|1,0,0]=1 191 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,0,0,0,0,0|1,0,0]=1 192 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,0,0,0,0,0|1,0,0]=1 193 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,0,0,0,0,0|1,0,0]=1 194 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,0,0,0,0,0|1,0,0]=1 195 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,0,0,0,0,0|2,0,0]=2 196 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,0,0,0,0,0|2,0,0]=2 197 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,0,0,0,0,0|1,0,0]=1 198 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,0,0,0,0,0|1,0,0]=1 199 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,0,0,0,0,0|1,0,0]=1 200 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,0,0,0,0,0|1,0,0]=1 201 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,0,0,0,0,0|2,0,0]=2 202 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,0,0,0,0,0|1,0,0]=1 203 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,0,0,0,0,0|1,0,0]=1 204 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,0,0,0,0,0|1,0,0]=1 205 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,0,0,0,0,0|1,0,0]=1 206 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,0,0,0,0,0|1,0,0]=1 207 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,0,0,0,0,0|1,0,0]=1 208 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,0,0,0,0,0|1,0,0]=1 209 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,0,0,0,0,0|1,0,0]=1 210 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,0,0,0,0,0|1,0,0]=1 211 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,0,0,0,0,0|2,0,0]=2 212 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,0,0,0,0,0|2,0,0]=2 213 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,0,0,0,0,0|2,0,0]=2 214 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,0,0,0,0,0|1,0,0]=1 215 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,0,0,0,0,0|1,0,0]=1 216 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,0,0,0,0,0|1,0,0]=1 217 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,0,0,0,0,0|1,0,0]=1 218 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,0,0,0,0,0|1,0,0]=1 219 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,0,0,0,0,0|1,0,0]=1 220 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,0,0,0,0,0|1,0,0]=1 221 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,0,0,0,0,0|1,0,0]=1 222 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,0,0,0,0,0|2,0,0]=2 223 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,0,0,0,0,0|1,0,0]=1 224 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,0,0,0,0,0|1,0,0]=1 225 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,0,0,0,0,0|1,0,0]=1 226 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,0,0,0,0,0|1,0,0]=1 227 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,0,0,0,0,0|1,0,0]=1 228 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,0,0,0,0,0|1,0,0]=1 229 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,0,0,0,0,0|3,0,0]=3 230 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,0,0,0,0,0|3,0,0]=3 231 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,0,0,0,0,0|3,0,0]=3 232 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,0,0,0,0,0|2,0,0]=2 233 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,0,0,0,0,0|2,0,0]=2 234 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,0,0,0,0,0|0,0,2]=2 235 B6R0.1 C#CC(N)CCC MCULE-1649795667 [1,0,0,0,0,0|1,0,1]=3 236 B6R0.1 C#CC(N)CCC MCULE-4074347601 [1,0,0,0,0,0|1,0,1]=3 237 B6R0.1 C#CC(N)COC MCULE-7083913188 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.1 C#CC(O)CCC MCULE-6152066005 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.1 C#CCC(N)CO MCULE-5669035635 [1,0,0,0,0,0|0,0,3]=4 240 B6R0.1 C#CC[C@@H](N)CO MCULE-2638776426 [1,0,0,0,0,0|0,0,3]=4 241 B6R0.1 C#CC[C@@H](N)CO MCULE-7710952185 [1,0,0,0,0,0|0,0,3]=4 242 B6R0.1 C#CC[C@H](N)CO MCULE-8069295628 [1,0,0,0,0,0|0,0,3]=4 243 B6R0.1 C#CC[C@H](N)CO MCULE-9440234580 [1,0,0,0,0,0|0,0,3]=4 244 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.1 C=CC(C)CCC MCULE-2692803387 [1,0,0,0,0,0|2,0,0]=3 246 B6R0.1 C=CC(C)CCO MCULE-2890369298 [1,0,0,0,0,0|3,0,0]=4 247 B6R0.1 C=CC(N)CCO MCULE-7781906138 [1,0,0,0,0,0|2,0,0]=3 248 B6R0.1 C=CC(N)COC MCULE-3217346081 [1,0,0,0,0,0|2,0,0]=3 249 B6R0.1 C=CC(O)CCC MCULE-3664453040 [1,0,0,0,0,0|2,0,0]=3 250 B6R0.1 C=CC(O)CCN MCULE-9346205308 [1,0,0,0,0,0|3,0,0]=4 251 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [1,0,0,0,0,0|1,0,2]=4 252 B6R0.1 C=CCC(N)CO MCULE-3854217705 [1,0,0,0,0,0|0,0,3]=4 253 B6R0.1 C=CCC(N)CO MCULE-6104194102 [1,0,0,0,0,0|0,0,3]=4 254 B6R0.1 C=CCC(N)CO MCULE-6473126335 [1,0,0,0,0,0|0,0,3]=4 255 B6R0.1 C=CCC(N)CO MCULE-8430673873 [1,0,0,0,0,0|0,0,3]=4 256 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [1,0,0,0,0,0|0,0,3]=4 257 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [1,0,0,0,0,0|0,0,3]=4 258 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [1,0,0,0,0,0|0,0,3]=4 259 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [1,0,0,0,0,0|0,0,3]=4 260 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [1,0,0,0,0,0|1,0,2]=4 261 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [1,0,0,0,0,0|0,0,3]=4 262 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [1,0,0,0,0,0|0,0,3]=4 263 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [1,0,0,0,0,0|0,0,3]=4 264 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [1,0,0,0,0,0|0,0,3]=4 265 B6R0.1 CC(CO)CCN MCULE-9900244005 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.1 CC(CO)CCO MCULE-5240961149 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.1 CC(CO)CCO MCULE-8678967805 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [1,0,0,0,0,0|1,0,2]=4 269 B6R0.1 CC=C[C@@H](N)CO MCULE-4690559736 [1,0,0,0,0,0|0,0,3]=4 270 B6R0.1 CC=C[C@@H](N)CO MCULE-5852475953 [1,0,0,0,0,0|0,0,3]=4 271 B6R0.1 CC=C[C@H](N)CO MCULE-6168992245 [1,0,0,0,0,0|0,0,3]=4 272 B6R0.1 CC=C[C@H](N)CO MCULE-6971252398 [1,0,0,0,0,0|0,0,3]=4 273 B6R0.1 CCC(N)CCN MCULE-8956610037 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.1 CCC(N)CCO MCULE-1511155206 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.1 CCC(N)CCO MCULE-5525302643 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.1 CCC(N)COC MCULE-2103613859 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.1 CCC(N)COC MCULE-5835446359 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.1 CCC(N)CSC MCULE-9145513729 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [1,0,0,0,0,0|1,0,1]=3 280 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [1,0,0,0,0,0|1,0,1]=3 281 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [1,0,0,0,0,0|1,0,2]=4 282 B6R0.1 CCCC(=NO)C MCULE-6437787263 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,0,0,0,0,0|1,0,2]=4 284 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.1 CCCC(Br)CC MCULE-9116433502 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.1 CCCC(C)C#N MCULE-2492294131 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.1 CCCC(C)C=O MCULE-9756444218 [1,0,0,0,0,0|1,0,0]=2 288 B6R0.1 CCCC(C)CBr MCULE-3437352091 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.1 CCCC(C)CC MCULE-7082933967 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.1 CCCC(C)CCl MCULE-2381010454 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.1 CCCC(C)CN MCULE-9552289739 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.1 CCCC(C)CO MCULE-9777250826 [1,0,0,0,0,0|1,0,1]=3 293 B6R0.1 CCCC(C)NC MCULE-1560121168 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.1 CCCC(C)NC MCULE-2169396338 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.1 CCCC(Cl)CC MCULE-1581617529 [1,0,0,0,0,0|2,0,1]=4 296 B6R0.1 CCCC(Cl)CCl MCULE-9464139069 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.1 CCCC(N)C#N MCULE-6830545935 [1,0,0,0,0,0|1,0,1]=3 298 B6R0.1 CCCC(N)C#N MCULE-9818121096 [1,0,0,0,0,0|1,0,1]=3 299 B6R0.1 CCCC(N)CC MCULE-5349906741 [1,0,0,0,0,0|1,0,1]=3 300 B6R0.1 CCCC(N)CC MCULE-7172418373 [1,0,0,0,0,0|1,0,1]=3 301 B6R0.1 CCCC(N)CN MCULE-8606218569 [1,0,0,0,0,0|1,0,1]=3 302 B6R0.1 CCCC(N)CO MCULE-3404967504 [1,0,0,0,0,0|0,0,1]=2 303 B6R0.1 CCCC(N)CO MCULE-3802448518 [1,0,0,0,0,0|0,0,1]=2 304 B6R0.1 CCCC(N)CO MCULE-4259078445 [1,0,0,0,0,0|0,0,1]=2 305 B6R0.1 CCCC(N)CO MCULE-6425025734 [1,0,0,0,0,0|0,0,1]=2 306 B6R0.1 CCCC(O)C#N MCULE-7017059503 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.1 CCCC(O)CBr MCULE-5186252424 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.1 CCCC(O)CC MCULE-9504041935 [1,0,0,0,0,0|2,0,1]=4 309 B6R0.1 CCCC(O)CCl MCULE-4737360217 [1,0,0,0,0,0|2,0,1]=4 310 B6R0.1 CCCC(O)CN MCULE-9402934997 [1,0,0,0,0,0|2,0,1]=4 311 B6R0.1 CCCC(O)CO MCULE-5124107719 [1,0,0,0,0,0|1,0,1]=3 312 B6R0.1 CCCC(S)CC MCULE-1322481338 [1,0,0,0,0,0|2,0,1]=4 313 B6R0.1 CCC[C@@H](N)CF MCULE-4702552251 [1,0,0,0,0,0|1,0,1]=3 314 B6R0.1 CCC[C@@H](N)CF MCULE-8118043624 [1,0,0,0,0,0|1,0,1]=3 315 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [1,0,0,0,0,0|0,0,1]=2 316 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [1,0,0,0,0,0|0,0,1]=2 317 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [1,0,0,0,0,0|0,0,1]=2 318 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [1,0,0,0,0,0|2,0,1]=4 319 B6R0.1 CCC[C@H](N)CF MCULE-7192744944 [1,0,0,0,0,0|1,0,1]=3 320 B6R0.1 CCC[C@H](N)CF MCULE-7441387613 [1,0,0,0,0,0|1,0,1]=3 321 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [1,0,0,0,0,0|0,0,1]=2 322 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [1,0,0,0,0,0|0,0,1]=2 323 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [1,0,0,0,0,0|0,0,1]=2 324 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [1,0,0,0,0,0|0,0,1]=2 325 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.1 CCNC(C)CO MCULE-4344397973 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.1 CCN[C@@H](C)CO MCULE-5648721449 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.1 CCN[C@H](C)CO MCULE-8047465405 [1,0,0,0,0,0|2,0,1]=4 329 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.1 CCOC(C)CO MCULE-1592146913 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.1 CC[C@@H](N)COC MCULE-2231338404 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.1 CC[C@@H](N)COC MCULE-2931188781 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.1 CC[C@@H](N)COC MCULE-5773677141 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.1 CC[C@@H](N)COC MCULE-5939905142 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.1 CC[C@H](N)COC MCULE-1115072226 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.1 CC[C@H](N)COC MCULE-3917835289 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.1 CC[C@H](N)COC MCULE-8706423122 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.1 CC[C@H](N)COC MCULE-9406311547 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.1 CN(C=O)CCO MCULE-3588371476 [1,0,0,0,0,0|3,0,0]=4 340 B6R0.1 CNCC(C)CO MCULE-6329429747 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.1 CNCC(O)CO MCULE-4566952448 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [1,0,0,0,0,0|2,0,1]=4 344 B6R0.1 COCC(C)C=O MCULE-7679332713 [1,0,0,0,0,0|2,0,0]=3 345 B6R0.1 COCC(C)CO MCULE-7663064542 [1,0,0,0,0,0|2,0,1]=4 346 B6R0.1 COCC(N)C#N MCULE-4816557518 [1,0,0,0,0,0|2,0,1]=4 347 B6R0.1 COCC(N)CN MCULE-1244199319 [1,0,0,0,0,0|2,0,1]=4 348 B6R0.1 COCC(N)CO MCULE-2141613120 [1,0,0,0,0,0|1,0,1]=3 349 B6R0.1 COCC(N)CO MCULE-3194232042 [1,0,0,0,0,0|1,0,1]=3 350 B6R0.1 COCC(N)CO MCULE-6545937769 [1,0,0,0,0,0|1,0,1]=3 351 B6R0.1 COCC(N)CO MCULE-7989665777 [1,0,0,0,0,0|1,0,1]=3 352 B6R0.1 COCC(O)CO MCULE-1154104224 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [1,0,0,0,0,0|1,0,1]=3 354 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [1,0,0,0,0,0|1,0,1]=3 355 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [1,0,0,0,0,0|1,0,1]=3 356 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [1,0,0,0,0,0|1,0,1]=3 357 B6R0.1 COC[C@H](C)CO MCULE-3120475252 [1,0,0,0,0,0|2,0,1]=4 358 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [1,0,0,0,0,0|1,0,1]=3 359 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [1,0,0,0,0,0|1,0,1]=3 360 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [1,0,0,0,0,0|1,0,1]=3 361 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [1,0,0,0,0,0|1,0,1]=3 362 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [1,0,0,0,0,0|2,0,1]=4 363 B6R0.1 CSCC(C)CO MCULE-3842820579 [1,0,0,0,0,0|2,0,1]=4 364 B6R0.1 CSCC(O)CO MCULE-6573013078 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.1 NC(CO)CCF MCULE-3691993352 [1,0,0,0,0,0|1,0,1]=3 372 B6R0.1 NC(CO)CCO MCULE-3703088648 [1,0,0,0,0,0|1,0,1]=3 373 B6R0.1 NC(CO)CCO MCULE-7609576462 [1,0,0,0,0,0|1,0,1]=3 374 B6R0.1 NCC(N)CCO MCULE-2965554481 [1,0,0,0,0,0|2,0,1]=4 375 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [1,0,0,0,0,0|2,0,1]=4 376 B6R0.1 NCCC(O)CO MCULE-2556586168 [1,0,0,0,0,0|2,0,1]=4 377 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [1,0,0,0,0,0|1,0,1]=3 378 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [1,0,0,0,0,0|1,0,1]=3 379 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [1,0,0,0,0,0|1,0,1]=3 380 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [1,0,0,0,0,0|1,0,1]=3 381 B6R0.1 N[C@H](CS)CCS MCULE-5846021725 [1,0,0,0,0,0|1,1,1]=4 382 B6R0.1 N[C@H](CS)CCS MCULE-6871313350 [1,0,0,0,0,0|1,1,1]=4 383 B6R0.1 N[C@H](CS)CCS MCULE-8095554848 [1,0,0,0,0,0|1,1,1]=4 384 B6R0.1 N[C@H](CS)CCS MCULE-8177349504 [1,0,0,0,0,0|1,1,1]=4 385 B6R0.1 OCCC(O)CO MCULE-6470178852 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [1,0,0,0,0,0|2,0,1]=4 387 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [1,0,0,0,0,0|2,0,1]=4 388 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [1,0,0,0,0,0|1,0,2]=4 392 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [1,0,0,0,0,0|2,0,0]=3 393 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [1,0,0,0,0,0|2,0,0]=3 394 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [1,0,0,0,0,0|2,0,0]=3 395 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,0,0,0,0,0|1,0,2]=4 396 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,0,0,0,0,0|1,0,2]=4 397 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,0,0,0,0,0|1,0,2]=4 398 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,0,0,0,0,0|1,0,2]=4 399 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [1,0,0,0,0,0|3,0,0]=4 400 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [1,0,0,0,0,0|2,0,1]=4 401 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [1,0,0,0,0,0|1,0,1]=3 402 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [1,0,0,0,0,0|2,0,1]=4 403 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [1,0,0,0,0,0|2,0,1]=4 404 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,0,0,0,0,0|1,0,2]=4 405 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,0,0,0,0,0|0,0,2]=3 406 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,0,0,0,0,0|0,0,2]=3 407 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,0,0,0,0,0|0,0,2]=3 408 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,0,0,0,0,0|0,0,2]=3 409 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,0,0,0,0,0|1,0,2]=4 410 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,0,0,0,0,0|1,0,2]=4 411 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,0,0,0,0,0|0,0,2]=3 412 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,0,0,0,0,0|0,0,2]=3 413 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,0,0,0,0,0|0,0,2]=3 414 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,0,0,0,0,0|1,0,2]=4 415 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,0,0,0,0,0|1,0,2]=4 416 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,0,0,0,0,0|1,0,2]=4 417 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,0,0,0,0,0|0,0,2]=3 418 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,0,0,0,0,0|0,0,2]=3 419 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,0,0,0,0,0|0,0,2]=3 420 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,0,0,0,0,0|0,0,2]=3 421 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,0,0,0,0,0|3,0,0]=4 422 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,0,0,0,0,0|2,0,0]=3 423 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,0,0,0,0,0|2,0,0]=3 424 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [1,0,0,0,0,0|2,0,0]=3 426 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [1,0,0,0,0,0|2,0,0]=3 427 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,0,0,0,0,0|2,0,0]=3 428 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,0,0,0,0,0|2,0,0]=3 429 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,0,0,0,0,0|2,0,0]=3 430 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [1,0,0,0,0,0|2,0,1]=4 431 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [1,0,0,0,0,0|2,0,0]=3 432 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [1,0,0,0,0,0|3,0,0]=4 436 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [1,0,0,0,0,0|3,0,0]=4 437 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [1,0,0,0,0,0|3,0,0]=4 438 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [1,0,0,0,0,0|3,0,0]=4 439 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,0,0,0,0,0|1,0,2]=4 440 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,0,0,0,0,0|1,0,2]=4 441 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,0,0,0,0,0|1,0,2]=4 442 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,0,0,0,0,0|1,0,2]=4 443 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,0,0,0,0,0|1,0,2]=4 444 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [1,0,0,0,0,0|2,0,1]=4 445 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [1,0,0,0,0,0|1,0,1]=3 446 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [1,0,0,0,0,0|1,0,2]=4 447 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [1,0,0,0,0,0|2,0,0]=3 448 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [1,0,0,0,0,0|2,0,0]=3 449 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [1,0,0,0,0,0|2,0,0]=3 450 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [1,0,0,0,0,0|2,0,0]=3 451 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,0,0,0,0,0|1,0,0]=2 452 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [1,0,0,0,0,0|2,0,1]=4 453 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [1,0,0,0,0,0|3,0,0]=4 454 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [1,0,0,0,0,0|3,0,0]=4 455 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [1,0,0,0,0,0|2,0,0]=3 456 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [1,0,0,0,0,0|2,0,0]=3 457 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [1,0,0,0,0,0|2,0,0]=3 458 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,0,0,0,0,0|1,0,0]=2 459 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,0,0,0,0,0|1,0,0]=2 460 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [1,0,0,0,0,0|2,1,0]=4 461 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [1,0,0,0,0,0|2,0,0]=3 463 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [1,0,0,0,0,0|2,0,0]=3 464 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,0,0,0,0,0|1,0,0]=2 465 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,0,0,0,0,0|1,0,0]=2 466 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [1,0,0,0,0,0|1,0,0]=2 467 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [1,0,0,0,0,0|1,0,0]=2 468 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [1,0,0,0,0,0|1,0,0]=2 469 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [1,0,0,0,0,0|1,0,0]=2 470 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,0,0,0,0,0|0,0,0]=1 471 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,0,0,0,0,0|0,0,0]=1 472 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,0,0,0,0,0|0,0,0]=1 473 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,0,0,0,0,0|0,0,0]=1 474 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [1,0,0,0,0,0|2,0,1]=4 475 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [1,0,0,0,0,0|2,0,1]=4 476 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [1,0,0,0,0,0|1,0,1]=3 477 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [1,0,0,0,0,0|1,0,1]=3 478 B6R0.3 CCC(N)C(F)F MCULE-3079670807 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.3 CCC(N)C(F)F MCULE-4157824434 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,0,0,0,0,0|2,0,0]=3 481 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,0,0,0,0,0|1,0,0]=2 482 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,0,0,0,0,0|1,0,0]=2 483 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,0,0,0,0,0|1,0,1]=3 484 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,0,0,0,0,0|1,0,1]=3 485 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [1,0,0,0,0,0|2,0,1]=4 486 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [1,0,0,0,0,0|2,0,0]=3 487 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,0,0,0,0,0|1,0,0]=2 488 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [1,0,0,0,0,0|3,0,0]=4 489 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [1,0,0,0,0,0|3,0,0]=4 490 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [1,0,0,0,0,0|2,0,0]=3 491 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [1,0,0,0,0,0|3,0,0]=4 492 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,0,0,0,0,0|1,0,0]=2 493 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,0,0,0,0,0|1,0,0]=2 494 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [1,0,0,0,0,0|2,0,0]=3 495 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [1,0,0,0,0,0|2,0,0]=3 496 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,0,0,0,0,0|1,0,0]=2 497 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,0,0,0,0,0|1,0,0]=2 498 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,0,0,0,0,0|1,0,0]=2 499 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,0,0,0,0,0|1,0,0]=2 500 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [1,0,0,0,0,0|1,0,0]=2 501 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [1,0,0,0,0,0|1,0,0]=2 502 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [1,0,0,0,0,0|1,0,0]=2 503 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [1,0,0,0,0,0|1,0,0]=2 504 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,0,0,0,0,0|0,0,0]=1 505 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,0,0,0,0,0|0,0,0]=1 506 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,0,0,0,0,0|0,0,0]=1 507 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,0,0,0,0,0|0,0,0]=1 508 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [1,0,0,0,0,0|1,0,1]=3 509 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [1,0,0,0,0,0|1,0,1]=3 510 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,0,0,0,0,0|1,0,0]=2 511 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,0,0,0,0,0|1,0,0]=2 512 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,0,0,0,0,0|1,0,0]=2 513 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,0,0,0,0,0|1,0,0]=2 514 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,0,0,0,0,0|1,0,0]=2 515 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,0,0,0,0,0|1,0,0]=2 516 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,0,0,0,0,0|1,0,0]=2 517 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [1,0,0,0,0,0|1,0,0]=2 518 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [1,0,0,0,0,0|1,0,0]=2 519 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [1,0,0,0,0,0|1,0,0]=2 520 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [1,0,0,0,0,0|1,0,0]=2 521 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,0,0,0,0,0|0,0,0]=1 522 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,0,0,0,0,0|0,0,0]=1 523 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,0,0,0,0,0|0,0,0]=1 524 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,0,0,0,0,0|0,0,0]=1 525 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [1,0,0,0,0,0|0,1,0]=2 526 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [1,0,0,0,0,0|0,1,0]=2 527 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [1,0,0,0,0,0|2,0,1]=4 529 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [1,0,0,0,0,0|1,0,1]=3 530 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [1,0,0,0,0,0|1,0,1]=3 531 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [1,0,0,0,0,0|1,0,1]=3 532 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [1,0,0,0,0,0|1,0,1]=3 533 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [1,0,0,0,0,0|1,0,1]=3 534 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [1,0,0,0,0,0|1,0,1]=3 535 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,0,0,0,0,0|1,0,0]=2 536 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,0,0,0,0,0|1,0,0]=2 537 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,0,0,0,0,0|1,0,1]=3 538 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [1,0,0,0,0,0|2,0,1]=4 539 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [1,0,0,0,0,0|3,0,0]=4 540 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [1,0,0,0,0,0|3,0,0]=4 541 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [1,0,0,0,0,0|2,0,0]=3 542 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [1,0,0,0,0,0|2,0,0]=3 543 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [1,0,0,0,0,0|2,0,0]=3 544 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [1,0,0,0,0,0|3,0,0]=4 545 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [1,0,0,0,0,0|2,0,0]=3 546 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [1,0,0,0,0,0|2,0,0]=3 547 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [1,0,0,0,0,0|2,0,0]=3 548 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [1,0,0,0,0,0|2,0,0]=3 549 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [1,0,0,0,0,0|2,0,0]=3 550 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [1,0,0,0,0,0|2,0,0]=3 551 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [1,0,0,0,0,0|2,0,0]=3 552 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [1,0,0,0,0,0|2,0,1]=4 553 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [1,0,0,0,0,0|3,0,0]=4 554 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [1,0,0,0,0,0|2,0,0]=3 555 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [1,0,0,0,0,0|3,0,0]=4 556 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [1,0,0,0,0,0|3,0,0]=4 557 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [1,0,0,0,0,0|2,0,0]=3 558 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [1,0,0,0,0,0|3,0,0]=4 559 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [1,0,0,0,0,0|2,0,0]=3 560 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [1,0,0,0,0,0|2,0,0]=3 561 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [1,0,0,0,0,0|2,0,0]=3 562 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [1,0,0,0,0,0|2,0,0]=3 563 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [1,0,0,0,0,0|3,0,0]=4 564 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [1,0,0,0,0,0|2,0,0]=3 565 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,0,0,0,0,0|2,0,0]=3 566 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,0,0,0,0,0|2,0,0]=3 567 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,0,0,0,0,0|2,0,0]=3 568 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,0,0,0,0,0|2,0,0]=3 569 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,0,0,0,0,0|2,0,0]=3 570 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,0,0,0,0,0|2,0,0]=3 571 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [1,0,0,0,0,0|2,0,1]=4 572 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [1,0,0,0,0,0|2,0,1]=4 573 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [1,0,0,0,0,0|2,0,1]=4 574 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [1,0,0,0,0,0|2,0,1]=4 575 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [1,0,0,0,0,0|2,0,1]=4 576 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [1,0,0,0,0,0|2,0,1]=4 577 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [1,0,0,0,0,0|3,0,0]=4 578 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [1,0,0,0,0,0|3,0,0]=4 579 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,0,0,0,0,0|2,0,0]=3 580 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,0,0,0,0,0|2,0,0]=3 581 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,0,0,0,0,0|2,0,0]=3 582 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,0,0,0,0,0|2,0,0]=3 583 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,0,0,0,0,0|2,0,0]=3 584 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,0,0,0,0,0|2,0,0]=3 585 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [1,0,0,0,0,0|2,0,1]=4 586 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [1,0,0,0,0,0|2,0,1]=4 587 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [1,0,0,0,0,0|2,0,1]=4 588 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [1,0,0,0,0,0|2,0,1]=4 589 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [1,0,0,0,0,0|2,0,1]=4 590 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [1,0,0,0,0,0|2,0,1]=4 591 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [1,0,0,0,0,0|3,0,0]=4 592 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [1,0,0,0,0,0|3,0,0]=4 593 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [1,0,0,0,0,0|2,0,1]=4 594 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [1,0,0,0,0,0|3,0,0]=4 595 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [1,0,0,0,0,0|3,0,0]=4 596 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [1,0,0,0,0,0|2,0,0]=3 597 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [1,0,0,0,0,0|2,0,0]=3 598 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [1,0,0,0,0,0|2,0,0]=3 599 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [1,0,0,0,0,0|2,0,0]=3 600 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [1,0,0,0,0,0|2,0,0]=3 601 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [1,0,0,0,0,0|2,0,0]=3 602 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [1,0,0,0,0,0|2,0,0]=3 603 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [1,0,0,0,0,0|2,0,0]=3 604 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [1,0,0,0,0,0|2,0,0]=3 605 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [1,0,0,0,0,0|2,0,0]=3 606 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [1,0,0,0,0,0|2,0,0]=3 607 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [1,0,0,0,0,0|2,0,0]=3 608 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [1,0,0,0,0,0|1,0,0]=2 609 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [1,0,0,0,0,0|1,0,0]=2 610 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [1,0,0,0,0,0|1,0,0]=2 611 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [1,0,0,0,0,0|1,0,0]=2 612 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,0,0,0,0,0|1,0,0]=2 613 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,0,0,0,0,0|1,0,0]=2 614 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [1,0,0,0,0,0|1,0,0]=2 615 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [1,0,0,0,0,0|1,0,0]=2 616 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [1,0,0,0,0,0|1,0,0]=2 617 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [1,0,0,0,0,0|1,0,0]=2 618 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,0,0,0,0,0|2,0,0]=3 619 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,0,0,0,0,0|2,0,0]=3 620 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,0,0,0,0,0|2,0,0]=3 621 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,0,0,0,0,0|2,0,0]=3 622 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,0,0,0,0,0|1,0,0]=2 623 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,0,0,0,0,0|1,0,0]=2 624 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,0,0,0,0,0|1,0,0]=2 625 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,0,0,0,0,0|1,0,0]=2 626 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,0,0,0,0,0|1,0,0]=2 627 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [1,0,0,0,0,0|3,0,0]=4 628 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [1,0,0,0,0,0|3,0,0]=4 629 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,0,0,0,0,0|2,0,0]=3 630 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,0,0,0,0,0|2,0,0]=3 631 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,0,0,0,0,0|2,0,0]=3 632 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,0,0,0,0,0|2,0,0]=3 633 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,0,0,0,0,0|2,0,0]=3 634 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,0,0,0,0,0|2,0,0]=3 635 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,0,0,0,0,0|1,0,0]=2 636 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,0,0,0,0,0|1,0,0]=2 637 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,0,0,0,0,0|1,0,0]=2 638 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,0,0,0,0,0|2,0,0]=3 639 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,0,0,0,0,0|2,0,0]=3 640 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,0,0,0,0,0|2,0,0]=3 641 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,0,0,0,0,0|2,0,0]=3 642 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,0,0,0,0,0|2,0,0]=3 643 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,0,0,0,0,0|2,0,0]=3 644 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,0,0,0,0,0|1,0,0]=2 645 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,0,0,0,0,0|1,0,0]=2 646 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,0,0,0,0,0|1,0,0]=2 647 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,0,0,0,0,0|1,0,0]=2 648 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,0,0,0,0,0|1,0,0]=2 649 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,0,0,0,0,0|1,0,0]=2 650 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,0,0,0,0,0|2,0,0]=3 651 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,0,0,0,0,0|2,0,0]=3 652 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [1,0,0,0,0,0|1,0,0]=2 653 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [1,0,0,0,0,0|1,0,0]=2 654 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [1,0,0,0,0,0|1,0,0]=2 655 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [1,0,0,0,0,0|1,0,0]=2 656 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,0,0,0,0,0|1,0,0]=2 657 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,0,0,0,0,0|1,0,0]=2 658 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,0,0,0,0,0|1,0,0]=2 659 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,0,0,0,0,0|1,0,0]=2 660 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [1,0,0,0,0,0|1,0,0]=2 661 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [1,0,0,0,0,0|1,0,0]=2 662 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [1,0,0,0,0,0|1,0,0]=2 663 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [1,0,0,0,0,0|1,0,0]=2 664 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [1,0,0,0,0,0|1,0,0]=2 665 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [1,0,0,0,0,0|1,0,0]=2 666 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [1,0,0,0,0,0|1,0,0]=2 667 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [1,0,0,0,0,0|1,0,0]=2 668 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [1,0,0,0,0,0|1,0,0]=2 669 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [1,0,0,0,0,0|1,0,0]=2 670 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,0,0,0,0,0|1,0,0]=2 671 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,0,0,0,0,0|1,0,0]=2 672 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [1,0,0,0,0,0|1,0,0]=2 673 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [1,0,0,0,0,0|1,0,0]=2 674 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [1,0,0,0,0,0|1,0,0]=2 675 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [1,0,0,0,0,0|1,0,0]=2 676 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [1,0,0,0,0,0|3,0,0]=4 677 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [1,0,0,0,0,0|3,0,0]=4 678 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [1,0,0,0,0,0|2,0,1]=4 679 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [1,0,0,0,0,0|2,0,1]=4 680 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [1,0,0,0,0,0|2,0,1]=4 681 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [1,0,0,0,0,0|2,0,1]=4 682 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [1,0,0,0,0,0|2,0,1]=4 683 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [1,0,0,0,0,0|2,0,0]=3 684 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [1,0,0,0,0,0|2,0,0]=3 685 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,0,0,0,0,0|2,0,0]=3 686 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [1,0,0,0,0,0|2,0,0]=3 687 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,0,0,0,0,0|2,0,0]=3 688 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [1,0,0,0,0,0|2,0,0]=3 689 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,0,0,0,0,0|2,0,0]=3 690 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,0,0,0,0,0|2,0,0]=3 691 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,0,0,0,0,0|2,0,0]=3 692 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,0,0,0,0,0|2,0,0]=3 693 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,0,0,0,0,0|2,0,0]=3 694 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,0,0,0,0,0|2,0,0]=3 695 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,0,0,0,0,0|2,0,0]=3 696 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,0,0,0,0,0|2,0,0]=3 697 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,0,0,0,0,0|2,0,0]=3 698 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,0,0,0,0,0|2,0,0]=3 699 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,0,0,0,0,0|2,0,0]=3 700 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,0,0,0,0,0|2,0,1]=4 701 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,0,0,0,0,0|0,0,2]=3 702 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,0,0,0,0,0|1,0,0]=2 703 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [1,0,0,0,0,0|2,0,0]=3 704 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [1,0,0,0,0,0|2,0,0]=3 705 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,0,0,0,0,0|1,0,0]=2 706 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [1,0,0,0,0,0|1,0,0]=2 707 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|1,0,2]=4 708 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,0,0,0,0,0|1,0,2]=4 709 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|1,0,2]=4 710 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|0,0,2]=3 711 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,0,0,0,0,0|0,0,3]=4 712 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|1,0,2]=4 713 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|1,0,2]=4 714 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|0,0,2]=3 715 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,0,0,0,0,0|3,0,0]=4 716 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|2,0,0]=3 717 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|3,0,0]=4 718 B6R0.4 C=C(C)CNCC MCULE-2237759977 [1,0,0,0,0,0|3,0,0]=4 719 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [1,0,0,0,0,0|3,0,0]=4 720 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|3,0,0]=4 721 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|0,0,3]=4 722 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|1,0,2]=4 723 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|1,0,2]=4 724 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|1,0,2]=4 725 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|0,0,2]=3 726 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|1,0,2]=4 727 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|0,0,2]=3 728 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|2,0,1]=4 729 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|2,0,1]=4 730 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|2,0,0]=3 731 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|2,0,0]=3 732 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|2,0,0]=3 733 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|3,0,0]=4 734 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|3,0,0]=4 735 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|3,0,0]=4 736 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|3,0,0]=4 737 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|3,0,0]=4 738 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|3,0,0]=4 739 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|3,0,0]=4 740 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|3,0,0]=4 741 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|3,0,0]=4 742 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|3,0,0]=4 743 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|3,0,0]=4 744 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|3,0,0]=4 745 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|3,0,0]=4 746 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,0,0,0,0|2,0,1]=4 747 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,0,0,0,0|2,0,1]=4 748 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,0,0,0,0|2,0,1]=4 749 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|2,0,1]=4 750 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,0,0,0,0,0|1,0,2]=4 751 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|0,0,2]=3 752 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|0,0,2]=3 753 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [1,0,0,0,0,0|1,0,2]=4 754 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|0,0,2]=3 755 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,0,0,0,0|1,0,2]=4 756 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,0,0,0,0,0|1,0,2]=4 757 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|0,0,2]=3 758 B6R0.4 CCCC=C(C)C MCULE-2110588796 [1,0,0,0,0,0|2,0,1]=4 759 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,0,0,0,0|1,0,1]=3 760 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|2,0,0]=3 761 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|2,0,0]=3 762 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|1,0,0]=2 763 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|1,0,0]=2 764 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|1,0,0]=2 765 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|1,0,0]=2 766 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|0,0,0]=1 767 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|0,0,1]=2 768 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|1,1,0]=3 769 B6R0.4 CCCCC(C)Br MCULE-3252474574 [1,0,0,0,0,0|2,0,1]=4 770 B6R0.4 CCCCC(C)C MCULE-7568461039 [1,0,0,0,0,0|2,0,1]=4 771 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [1,0,0,0,0,0|2,0,1]=4 772 B6R0.4 CCCCC(C)N MCULE-5349371506 [1,0,0,0,0,0|2,0,1]=4 773 B6R0.4 CCCCC(C)N MCULE-6696490028 [1,0,0,0,0,0|2,0,1]=4 774 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|1,0,1]=3 775 B6R0.4 CCCCC(C)S MCULE-4791681848 [1,0,0,0,0,0|1,1,1]=4 776 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,0,0,0,0,0|1,0,1]=3 777 B6R0.4 CCCCN(C)C MCULE-7202077639 [1,0,0,0,0,0|3,0,0]=4 778 B6R0.4 CCCCN(C)N MCULE-7927159797 [1,0,0,0,0,0|3,0,0]=4 779 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,0,0,0,0,0|1,0,1]=3 780 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,0,0,0,0,0|1,0,1]=3 781 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [1,0,0,0,0,0|2,0,1]=4 782 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [1,0,0,0,0,0|2,0,1]=4 783 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|1,0,1]=3 784 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|1,0,1]=3 785 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [1,0,0,0,0,0|2,0,1]=4 786 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [1,0,0,0,0,0|2,0,1]=4 787 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|1,0,1]=3 788 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|1,0,1]=3 789 B6R0.4 CCCNC(=N)N MCULE-6381843991 [1,0,0,0,0,0|3,0,0]=4 790 B6R0.4 CCCNC(=N)N MCULE-8286774592 [1,0,0,0,0,0|3,0,0]=4 791 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|2,0,0]=3 792 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|2,0,0]=3 793 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|2,0,0]=3 794 B6R0.4 CCCNC(=S)N MCULE-3142756488 [1,0,0,0,0,0|2,1,0]=4 795 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|2,0,0]=3 796 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|2,0,0]=3 797 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|2,0,0]=3 798 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [1,0,0,0,0,0|1,2,0]=4 799 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [1,0,0,0,0,0|1,2,0]=4 800 B6R0.4 CCCON(=O)=O MCULE-3372904250 [1,0,0,0,0,0|2,0,1]=4 801 B6R0.4 CCCSC(=N)N MCULE-4777505658 [1,0,0,0,0,0|3,0,0]=4 802 B6R0.4 CCCSC(=N)N MCULE-8873393921 [1,0,0,0,0,0|3,0,0]=4 803 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|2,0,0]=3 804 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|2,0,0]=3 805 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [1,0,0,0,0,0|3,0,0]=4 806 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|2,0,0]=3 807 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|2,0,0]=3 808 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|2,0,0]=3 809 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|2,0,0]=3 810 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|1,0,0]=2 811 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|1,0,0]=2 812 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,0,0,0,0,0|2,0,1]=4 813 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,0,0,0,0,0|2,0,1]=4 814 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,0,0,0,0,0|2,0,1]=4 815 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,0,0,0,0,0|2,0,1]=4 816 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,0,0,0,0,0|2,0,1]=4 817 B6R0.4 CCOCC(=N)N MCULE-3232806707 [1,0,0,0,0,0|3,0,0]=4 818 B6R0.4 CCOCC(=N)N MCULE-4996987536 [1,0,0,0,0,0|3,0,0]=4 819 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|2,0,0]=3 820 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|2,0,0]=3 821 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|1,0,0]=2 822 B6R0.4 CCOCC(=S)N MCULE-7064672670 [1,0,0,0,0,0|2,1,0]=4 823 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,0,0,0,0,0|2,0,1]=4 824 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,0,0,0,0,0|2,0,1]=4 825 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|2,0,0]=3 826 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|1,0,0]=2 827 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|2,0,0]=3 828 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|2,0,0]=3 829 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|1,0,0]=2 830 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|1,0,0]=2 831 B6R0.4 CNCCC(C)O MCULE-1615526002 [1,0,0,0,0,0|2,0,1]=4 832 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,0,0,0,0,0|1,0,2]=4 833 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,0,0,0,0,0|1,0,2]=4 834 B6R0.4 COCCC(=N)N MCULE-8118559492 [1,0,0,0,0,0|3,0,0]=4 835 B6R0.4 COCCC(=N)N MCULE-9000138086 [1,0,0,0,0,0|3,0,0]=4 836 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|2,0,0]=3 837 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|2,0,0]=3 838 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|2,0,0]=3 839 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|1,0,0]=2 840 B6R0.4 COCCC(C)O MCULE-6536001437 [1,0,0,0,0,0|2,0,1]=4 841 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,0,0,0,0,0|3,0,0]=4 842 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,0,0,0,0,0|3,0,0]=4 843 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|2,0,1]=4 844 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|3,0,0]=4 845 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|3,0,0]=4 846 B6R0.4 CSCCC(=N)N MCULE-3926353306 [1,0,0,0,0,0|3,0,0]=4 847 B6R0.4 CSCCC(=N)N MCULE-4451485733 [1,0,0,0,0,0|3,0,0]=4 848 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|2,0,0]=3 849 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|2,0,0]=3 850 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|2,0,0]=3 851 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|1,0,0]=2 852 B6R0.4 CSCCC(C)O MCULE-5934844952 [1,0,0,0,0,0|2,0,1]=4 853 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,0,0,0,0,0|3,0,0]=4 854 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|2,0,0]=3 855 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|2,0,1]=4 856 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|1,0,1]=3 857 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|2,0,1]=4 858 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|3,0,0]=4 859 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,0]=3 860 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|2,0,0]=3 861 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,0,0,0,0|3,0,0]=4 862 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,0,0,0,0|3,0,0]=4 863 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|3,0,0]=4 864 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,0,0,0,0|3,0,0]=4 865 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|3,0,0]=4 866 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|2,1,0]=4 867 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,0,0,0,0|1,0,2]=4 868 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,0,0,0,0,0|1,0,2]=4 869 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,0,0,0,0|1,0,2]=4 870 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,0,0,0,0|1,0,2]=4 871 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|2,0,0]=3 872 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|2,0,0]=3 873 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|2,0,0]=3 874 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|2,0,0]=3 875 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|1,0,0]=2 876 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|1,0,0]=2 877 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,0,0,0,0|3,0,0]=4 878 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,0,0,0,0|3,0,0]=4 879 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,0,0,0,0|3,0,0]=4 880 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,0,0,0,0|3,0,0]=4 881 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,0,0,0,0|3,0,0]=4 882 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|2,0,0]=3 883 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|2,0,0]=3 884 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|2,0,0]=3 885 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|2,0,0]=3 886 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,0,0,0,0,0|3,0,0]=4 887 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,0,0,0,0,0|3,0,0]=4 888 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,0,0,0,0,0|3,0,0]=4 889 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,0,0,0,0,0|1,0,2]=4 890 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,0,0,0,0,0|1,0,2]=4 891 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|1,0,2]=4 892 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,0,0,0,0,0|1,0,2]=4 893 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,0,0,0,0,0|1,0,2]=4 894 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,0,0,0,0,0|1,0,2]=4 895 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,0,0,0,0,0|1,0,2]=4 896 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,0,0,0,0,0|1,0,2]=4 897 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|1,0,2]=4 898 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|1,0,0]=2 899 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|1,0,0]=2 900 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|1,0,0]=2 901 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|1,0,0]=2 902 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|1,0,0]=2 903 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|2,0,0]=3 904 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|1,0,1]=3 905 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|2,0,1]=4 906 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|1,0,1]=3 907 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|2,0,1]=4 908 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [1,0,0,0,0,0|2,0,1]=4 909 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [1,0,0,0,0,0|2,0,1]=4 910 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|2,0,1]=4 911 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [1,0,0,0,0,0|2,0,1]=4 912 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,1,0,0,0,0|1,0,2]=4 913 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [0,1,0,0,0,0|3,0,0]=4 914 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [0,1,0,0,0,0|3,0,0]=4 915 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,1,0,0,0,0|1,0,1]=3 916 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,1,0,0,0,0|1,0,1]=3 917 B8R0.2 CCC(C)C(=O)C(=O)[O-] MCULE-9099284149 [0,1,0,0,0,0|1,0,2]=4 918 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,1,0,0,0,0|1,0,0]=2 919 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [0,1,0,0,0,0|2,0,0]=3 920 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,1,0,0,0,0|1,0,0]=2 921 B8R0.2 CCC(C)C(C)C(C)O MCULE-2099710154 [0,1,0,0,0,0|2,0,1]=4 922 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [0,1,0,0,0,0|1,0,0]=2 923 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [0,1,0,0,0,0|1,0,0]=2 924 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,1,0,0,0,0|0,0,0]=1 925 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [0,1,0,0,0,0|2,0,0]=3 926 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,1,0,0,0,0|1,0,0]=2 927 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,1,0,0,0,0|1,0,0]=2 928 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,1,0,0,0,0|0,0,0]=1 929 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,1,0,0,0,0|0,0,0]=1 930 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,1,0,0,0,0|2,0,0]=3 931 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,1,0,0,0,0|2,0,0]=3 932 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,1,0,0,0,0|0,0,0]=1 933 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,1,0,0,0,0|0,0,0]=1 934 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,1,0,0,0,0|1,0,0]=2 935 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,1,0,0,0,0|0,0,0]=1 936 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,1,0,0,0,0|0,0,0]=1 937 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,1,0,0,0,0|0,0,0]=1 938 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,1,0,0,0,0|0,0,0]=1 939 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,1,0,0,0,0|0,0,0]=1 940 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,1,0,0,0,0|0,0,0]=1 941 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,1,0,0,0,0|0,0,0]=1 942 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,1,0,0,0,0|0,0,0]=1 943 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,1,0,0,0,0|0,0,0]=1 944 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,1,0,0,0,0|1,0,0]=2 945 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,1,0,0,0,0|1,0,0]=2 946 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,1,0,0,0,0|1,0,0]=2 947 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [0,1,0,0,0,0|1,0,0]=2 948 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [0,1,0,0,0,0|1,0,0]=2 949 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,1,0,0,0,0|0,0,0]=1 950 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,1,0,0,0,0|0,0,0]=1 951 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,1,0,0,0,0|1,0,0]=2 952 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,1,0,0,0,0|1,0,0]=2 953 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,1,0,0,0,0|1,0,0]=2 954 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,1,0,0,0,0|0,0,0]=1 955 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,1,0,0,0,0|0,0,0]=1 956 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,1,0,0,0,0|0,0,0]=1 957 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,1,0,0,0,0|0,0,0]=1 958 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,1,0,0,0,0|2,0,1]=4 959 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6003738013 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6286319401 [0,1,0,0,0,0|2,0,1]=4 961 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,1,0,0,0,0|1,0,1]=3 962 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,1,0,0,0,0|1,0,1]=3 963 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,1,0,0,0,0|1,0,1]=3 964 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,1,0,0,0,0|1,0,1]=3 965 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,1,0,0,0,0|2,0,0]=3 966 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,1,0,0,0,0|2,0,0]=3 967 B8R0.2 COC(C)C([NH3+])C(=O)[O-] MCULE-9174020309 [0,1,0,0,0,0|1,0,2]=4 968 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,1,0,0,0,0|1,0,0]=2 969 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,1,0,0,0,0|1,0,0]=2 970 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,1,0,0,0,0|1,0,0]=2 971 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,1,0,0,0,0|1,0,0]=2 972 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,1,0,0,0,0|1,0,0]=2 973 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,1,0,0,0,0|1,0,0]=2 974 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,1,0,0,0,0|1,0,0]=2 975 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,1,0,0,0,0|1,0,0]=2 976 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,1,0,0,0,0|1,0,0]=2 977 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [0,1,0,0,0,0|1,0,0]=2 978 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,1,0,0,0,0|2,0,0]=3 979 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,1,0,0,0,0|2,0,0]=3 980 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,1,0,0,0,0|2,0,0]=3 981 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [0,1,0,0,0,0|2,0,1]=4 982 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [0,1,0,0,0,0|2,0,1]=4 983 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [0,1,0,0,0,0|2,0,1]=4 984 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [0,1,0,0,0,0|1,0,0]=2 985 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [0,1,0,0,0,0|1,0,0]=2 986 B8R0.3 C#CC(O)C(C)CCC MCULE-8667738033 [0,1,0,0,0,0|2,0,1]=4 987 B8R0.3 C#CCC(C)C(=O)OC MCULE-6858702149 [0,1,0,0,0,0|1,0,2]=4 988 B8R0.3 C#CCC(N)C(=O)OC MCULE-2178950640 [0,1,0,0,0,0|0,0,2]=3 989 B8R0.3 C#CCC(N)C(=O)OC MCULE-6758978147 [0,1,0,0,0,0|0,0,2]=3 990 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-1974908886 [0,1,0,0,0,0|0,0,2]=3 991 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-4511622416 [0,1,0,0,0,0|0,0,2]=3 992 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-1519824425 [0,1,0,0,0,0|0,0,2]=3 993 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-2744971317 [0,1,0,0,0,0|0,0,2]=3 994 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-4813964115 [0,1,0,0,0,0|0,0,2]=3 995 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-6433911913 [0,1,0,0,0,0|0,0,2]=3 996 B8R0.3 C=C(COC)C(=O)OC MCULE-7593559443 [0,1,0,0,0,0|2,0,1]=4 997 B8R0.3 C=CCC(Cl)C(=O)OC MCULE-6530091518 [0,1,0,0,0,0|1,0,2]=4 998 B8R0.3 C=CCC(N)C(=O)OC MCULE-1390503391 [0,1,0,0,0,0|0,0,2]=3 999 B8R0.3 C=CCC(N)C(=O)OC MCULE-6527008669 [0,1,0,0,0,0|0,0,2]=3 1000 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1188632168 [0,1,0,0,0,0|0,0,2]=3 1001 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1561172370 [0,1,0,0,0,0|0,0,2]=3 1002 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1592773442 [0,1,0,0,0,0|0,0,2]=3 1003 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-2928833845 [0,1,0,0,0,0|0,0,2]=3 1004 B8R0.3 C=CC[C@@H](O)C(=O)OC MCULE-5528424936 [0,1,0,0,0,0|1,0,2]=4 1005 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-1184647267 [0,1,0,0,0,0|0,0,2]=3 1006 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-6782970786 [0,1,0,0,0,0|0,0,2]=3 1007 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-7213365607 [0,1,0,0,0,0|0,0,2]=3 1008 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-9811834405 [0,1,0,0,0,0|0,0,2]=3 1009 B8R0.3 CCC=C(C)C(=O)OC MCULE-1695208139 [0,1,0,0,0,0|1,0,2]=4 1010 B8R0.3 CCCC(=O)C(=O)OC MCULE-5789275467 [0,1,0,0,0,0|1,0,1]=3 1011 B8R0.3 CCCC(Br)C(=O)OC MCULE-2779995445 [0,1,0,0,0,0|1,0,0]=2 1012 B8R0.3 CCCC(C)C(=O)CC MCULE-9990200653 [0,1,0,0,0,0|2,0,0]=3 1013 B8R0.3 CCCC(C)C(=O)OC MCULE-6953134216 [0,1,0,0,0,0|1,0,0]=2 1014 B8R0.3 CCCC(C)C(N)CO MCULE-7204075039 [0,1,0,0,0,0|2,0,1]=4 1015 B8R0.3 CCCC(C)C(N)CO MCULE-9206965368 [0,1,0,0,0,0|2,0,1]=4 1016 B8R0.3 CCCC(C)C(O)CC MCULE-5128705007 [0,1,0,0,0,0|2,0,1]=4 1017 B8R0.3 CCCC(N)C(=O)NC MCULE-3980097421 [0,1,0,0,0,0|1,0,0]=2 1018 B8R0.3 CCCC(N)C(=O)NO MCULE-2069838283 [0,1,0,0,0,0|0,0,0]=1 1019 B8R0.3 CCCC(N)C(=O)OC MCULE-1453218994 [0,1,0,0,0,0|0,0,0]=1 1020 B8R0.3 CCCC(N)C(=O)OC MCULE-4171872835 [0,1,0,0,0,0|0,0,0]=1 1021 B8R0.3 CCCC(N)C(=O)OC MCULE-4324009425 [0,1,0,0,0,0|0,0,0]=1 1022 B8R0.3 CCCC(N)C(=O)OC MCULE-9533158990 [0,1,0,0,0,0|0,0,0]=1 1023 B8R0.3 CCCC(O)C(N)CO MCULE-6983866986 [0,1,0,0,0,0|2,0,1]=4 1024 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-1310673609 [0,1,0,0,0,0|0,0,0]=1 1025 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5850698619 [0,1,0,0,0,0|0,0,0]=1 1026 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5854286766 [0,1,0,0,0,0|0,0,0]=1 1027 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-9793822862 [0,1,0,0,0,0|0,0,0]=1 1028 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-2009036281 [0,1,0,0,0,0|0,0,0]=1 1029 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5609199650 [0,1,0,0,0,0|0,0,0]=1 1030 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5628439347 [0,1,0,0,0,0|0,0,0]=1 1031 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-8724830592 [0,1,0,0,0,0|0,0,0]=1 1032 B8R0.3 CCNC(C)C(=O)OC MCULE-3289750233 [0,1,0,0,0,0|2,0,0]=3 1033 B8R0.3 CCNC(C)C(=O)OC MCULE-6862987622 [0,1,0,0,0,0|2,0,0]=3 1034 B8R0.3 CCN[C@@H](C)C(=O)OC MCULE-5663920756 [0,1,0,0,0,0|2,0,0]=3 1035 B8R0.3 CCOC(C)/C(=N/O)/N MCULE-2085332041 [0,1,0,0,0,0|3,0,0]=4 1036 B8R0.3 CCOC(C)C(=O)NN MCULE-1066133056 [0,1,0,0,0,0|3,0,0]=4 1037 B8R0.3 CCOC(C)C(=O)NN MCULE-9272616432 [0,1,0,0,0,0|3,0,0]=4 1038 B8R0.3 CNCC(Br)C(=O)OC MCULE-2818400613 [0,1,0,0,0,0|2,0,0]=3 1039 B8R0.3 CNCC(Br)C(=O)OC MCULE-5823314810 [0,1,0,0,0,0|2,0,0]=3 1040 B8R0.3 CNCC(C)C(=O)NC MCULE-2413275831 [0,1,0,0,0,0|3,0,0]=4 1041 B8R0.3 CNCC(C)C(=O)OC MCULE-5525958870 [0,1,0,0,0,0|2,0,0]=3 1042 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-6377659413 [0,1,0,0,0,0|1,0,0]=2 1043 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-9611469994 [0,1,0,0,0,0|1,0,0]=2 1044 B8R0.3 COC(=O)C(Br)CCBr MCULE-4290973865 [0,1,0,0,0,0|2,0,0]=3 1045 B8R0.3 COC(=O)C(C)CCBr MCULE-7970722391 [0,1,0,0,0,0|2,0,0]=3 1046 B8R0.3 COC(=O)C(C)CCCl MCULE-3423199485 [0,1,0,0,0,0|2,0,0]=3 1047 B8R0.3 COC(=O)C(C)CCN MCULE-4788413403 [0,1,0,0,0,0|2,0,0]=3 1048 B8R0.3 COC(=O)C(C)CCN MCULE-6075427964 [0,1,0,0,0,0|2,0,0]=3 1049 B8R0.3 COC(=O)C(N)CCBr MCULE-5668145888 [0,1,0,0,0,0|1,0,0]=2 1050 B8R0.3 COC(=O)C(N)CCBr MCULE-5831054247 [0,1,0,0,0,0|1,0,0]=2 1051 B8R0.3 COC(=O)C(N)CCF MCULE-3356013030 [0,1,0,0,0,0|1,0,0]=2 1052 B8R0.3 COC(=O)C(N)CCF MCULE-6443244944 [0,1,0,0,0,0|1,0,0]=2 1053 B8R0.3 COC(=O)C(N)CCS MCULE-8178229832 [0,1,0,0,0,0|1,0,0]=2 1054 B8R0.3 COC(=O)C(N)CSC MCULE-6702025743 [0,1,0,0,0,0|1,0,0]=2 1055 B8R0.3 COC(=O)C(N)CSC MCULE-7180641175 [0,1,0,0,0,0|1,0,0]=2 1056 B8R0.3 COC(=O)C(O)CCN MCULE-7139144229 [0,1,0,0,0,0|2,0,0]=3 1057 B8R0.3 COC(=O)N(C)CCN MCULE-5241430588 [0,1,0,0,0,0|3,0,0]=4 1058 B8R0.3 COC(=O)N(C)CCN MCULE-6970201742 [0,1,0,0,0,0|3,0,0]=4 1059 B8R0.3 COC(=O)N(C)CCO MCULE-3282195016 [0,1,0,0,0,0|3,0,0]=4 1060 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-1252477377 [0,1,0,0,0,0|1,0,0]=2 1061 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-6780159971 [0,1,0,0,0,0|1,0,0]=2 1062 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-8129635461 [0,1,0,0,0,0|1,0,0]=2 1063 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-9824385803 [0,1,0,0,0,0|1,0,0]=2 1064 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-5345736899 [0,1,0,0,0,0|1,0,0]=2 1065 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-8434362314 [0,1,0,0,0,0|1,0,0]=2 1066 B8R0.3 COC(=O)[C@@H](N)CCS MCULE-1895611205 [0,1,0,0,0,0|1,0,0]=2 1067 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-2532401863 [0,1,0,0,0,0|1,0,0]=2 1068 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-3321267517 [0,1,0,0,0,0|1,0,0]=2 1069 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-5693942065 [0,1,0,0,0,0|1,0,0]=2 1070 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-7597642447 [0,1,0,0,0,0|1,0,0]=2 1071 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-1204029497 [0,1,0,0,0,0|2,0,0]=3 1072 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-2464186416 [0,1,0,0,0,0|2,0,0]=3 1073 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-4887582087 [0,1,0,0,0,0|2,0,0]=3 1074 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-8785450046 [0,1,0,0,0,0|2,0,0]=3 1075 B8R0.3 COC(=O)[C@H](N)CCN MCULE-1821826306 [0,1,0,0,0,0|1,0,0]=2 1076 B8R0.3 COC(=O)[C@H](N)CCN MCULE-8161776969 [0,1,0,0,0,0|1,0,0]=2 1077 B8R0.3 COC(=O)[C@H](N)CCO MCULE-1194830786 [0,1,0,0,0,0|1,0,0]=2 1078 B8R0.3 COC(=O)[C@H](N)CCO MCULE-2532522705 [0,1,0,0,0,0|1,0,0]=2 1079 B8R0.3 COC(=O)[C@H](N)CCS MCULE-8558179208 [0,1,0,0,0,0|1,0,0]=2 1080 B8R0.3 COCC(Br)C(=O)OC MCULE-5792855565 [0,1,0,0,0,0|2,0,0]=3 1081 B8R0.3 COCC(C)C(=O)OC MCULE-4110856609 [0,1,0,0,0,0|2,0,0]=3 1082 B8R0.3 COCC(N)C(=O)OC MCULE-1717271658 [0,1,0,0,0,0|1,0,0]=2 1083 B8R0.3 COCC(N)C(=O)OC MCULE-4567479747 [0,1,0,0,0,0|1,0,0]=2 1084 B8R0.3 COCC(N)C(=O)OC MCULE-4859095599 [0,1,0,0,0,0|1,0,0]=2 1085 B8R0.3 COCC(N)C(=O)OC MCULE-8125210840 [0,1,0,0,0,0|1,0,0]=2 1086 B8R0.3 COCC(O)C(=O)OC MCULE-6071304250 [0,1,0,0,0,0|2,0,0]=3 1087 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-2867072950 [0,1,0,0,0,0|1,0,0]=2 1088 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-5445193744 [0,1,0,0,0,0|1,0,0]=2 1089 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8505505456 [0,1,0,0,0,0|1,0,0]=2 1090 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8525451378 [0,1,0,0,0,0|1,0,0]=2 1091 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,1,0,0,0,0|0,0,1]=2 1092 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,1,0,0,0,0|1,0,1]=3 1093 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,1,0,0,0,0|0,0,1]=2 1094 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,1,0,0,0,0|0,0,1]=2 1095 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,1,0,0,0,0|0,0,1]=2 1096 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,1,0,0,0,0|0,0,1]=2 1097 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,1,0,0,0,0|0,0,1]=2 1098 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,1,0,0,0,0|0,0,1]=2 1099 B8R0.8 C#CCOC(C)C(=O)O MCULE-7792481116 [0,1,0,0,0,0|1,0,2]=4 1100 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,1,0,0,0,0|1,0,0]=2 1101 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,1,0,0,0,0|1,0,0]=2 1102 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [0,1,0,0,0,0|1,0,2]=4 1103 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [0,1,0,0,0,0|2,0,1]=4 1104 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,1,0,0,0,0|1,0,1]=3 1105 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,1,0,0,0,0|1,0,1]=3 1106 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,1,0,0,0,0|1,0,1]=3 1107 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,1,0,0,0,0|0,0,1]=2 1108 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,1,0,0,0,0|0,0,1]=2 1109 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,1,0,0,0,0|0,0,1]=2 1110 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,1,0,0,0,0|0,0,1]=2 1111 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,1,0,0,0,0|0,0,1]=2 1112 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,1,0,0,0,0|0,0,1]=2 1113 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,1,0,0,0,0|0,0,1]=2 1114 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,1,0,0,0,0|0,0,1]=2 1115 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [0,1,0,0,0,0|1,0,2]=4 1116 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [0,1,0,0,0,0|1,0,2]=4 1117 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,1,0,0,0,0|0,0,1]=2 1118 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,1,0,0,0,0|0,0,1]=2 1119 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,1,0,0,0,0|0,0,1]=2 1120 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,1,0,0,0,0|0,0,1]=2 1121 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,1,0,0,0,0|0,0,1]=2 1122 B8R0.8 CC(=O)C(C)CCC#N MCULE-1571826766 [0,1,0,0,0,0|2,0,1]=4 1123 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,1,0,0,0,0|1,0,0]=2 1124 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,1,0,0,0,0|2,0,0]=3 1125 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,1,0,0,0,0|2,0,0]=3 1126 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,1,0,0,0,0|2,0,0]=3 1127 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,1,0,0,0,0|1,0,1]=3 1128 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,1,0,0,0,0|1,0,1]=3 1129 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,1,0,0,0,0|2,0,1]=4 1130 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,1,0,0,0,0|1,0,1]=3 1131 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,1,0,0,0,0|1,0,2]=4 1132 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,1,0,0,0,0|2,0,0]=3 1133 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,1,0,0,0,0|1,0,0]=2 1134 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,1,0,0,0,0|2,0,0]=3 1135 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,1,0,0,0,0|2,0,0]=3 1136 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,1,0,0,0,0|2,0,0]=3 1137 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,1,0,0,0,0|1,0,0]=2 1138 B8R0.8 CCCCC(C)C(C)O MCULE-2881990446 [0,1,0,0,0,0|2,0,1]=4 1139 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,1,0,0,0,0|1,0,0]=2 1140 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,1,0,0,0,0|1,0,0]=2 1141 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,1,0,0,0,0|1,0,0]=2 1142 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,1,0,0,0,0|0,0,0]=1 1143 B8R0.8 CCCCC(N)C(C)O MCULE-3645367149 [0,1,0,0,0,0|1,0,1]=3 1144 B8R0.8 CCCCC(N)C(C)O MCULE-4512291097 [0,1,0,0,0,0|1,0,1]=3 1145 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,1,0,0,0,0|2,0,0]=3 1146 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,1,0,0,0,0|1,0,0]=2 1147 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,1,0,0,0,0|3,0,0]=4 1148 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,1,0,0,0,0|1,0,0]=2 1149 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,1,0,0,0,0|0,0,0]=1 1150 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,1,0,0,0,0|0,0,0]=1 1151 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,1,0,0,0,0|1,0,0]=2 1152 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,1,0,0,0,0|1,0,0]=2 1153 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,1,0,0,0,0|1,0,0]=2 1154 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,1,0,0,0,0|1,0,0]=2 1155 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,1,0,0,0,0|1,0,0]=2 1156 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,1,0,0,0,0|1,0,0]=2 1157 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,1,0,0,0,0|0,0,0]=1 1158 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,1,0,0,0,0|0,0,0]=1 1159 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,1,0,0,0,0|1,0,1]=3 1160 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,1,0,0,0,0|1,0,0]=2 1161 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,1,0,0,0,0|1,0,0]=2 1162 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,1,0,0,0,0|1,0,0]=2 1163 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,1,0,0,0,0|1,0,0]=2 1164 B8R0.8 CCOCC(N)C(C)C MCULE-6644223666 [0,1,0,0,0,0|2,0,1]=4 1165 B8R0.8 CCOCC(N)C(C)C MCULE-7204690887 [0,1,0,0,0,0|2,0,1]=4 1166 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,1,0,0,0,0|0,0,0]=1 1167 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,1,0,0,0,0|0,0,0]=1 1168 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,1,0,0,0,0|0,0,0]=1 1169 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,1,0,0,0,0|0,0,0]=1 1170 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,1,0,0,0,0|0,0,0]=1 1171 B8R0.8 CNCCN(C)C(=O)C MCULE-7429681700 [0,1,0,0,0,0|3,0,0]=4 1172 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,1,0,0,0,0|1,0,0]=2 1173 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,1,0,0,0,0|1,0,0]=2 1174 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,1,0,0,0,0|1,0,0]=2 1175 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,1,0,0,0,0|0,0,0]=1 1176 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,1,0,0,0,0|0,0,0]=1 1177 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,1,0,0,0,0|0,0,0]=1 1178 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,1,0,0,0,0|1,0,1]=3 1179 B8R0.8 CSCCC(=O)C(=O)[O-] MCULE-4931776455 [0,1,0,0,0,0|1,0,2]=4 1180 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,1,0,0,0,0|1,0,0]=2 1181 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,1,0,0,0,0|1,0,0]=2 1182 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,1,0,0,0,0|1,0,0]=2 1183 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,1,0,0,0,0|1,0,0]=2 1184 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,1,0,0,0,0|0,0,0]=1 1185 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,1,0,0,0,0|2,0,0]=3 1186 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,1,0,0,0,0|1,0,0]=2 1187 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,1,0,0,0,0|0,0,0]=1 1188 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,1,0,0,0,0|0,0,0]=1 1189 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,1,0,0,0,0|0,0,1]=2 1190 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,1,0,0,0,0|0,0,1]=2 1191 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,1,0,0,0,0|1,0,0]=2 1192 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,1,0,0,0,0|1,0,0]=2 1193 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,1,0,0,0,0|1,0,0]=2 1194 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,1,0,0,0,0|1,0,0]=2 1195 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,1,0,0,0,0|0,0,0]=1 1196 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,1,0,0,0,0|0,0,0]=1 1197 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,1,0,0,0,0|0,0,0]=1 1198 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,1,0,0,0,0|0,0,0]=1 1199 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,1,0,0,0,0|0,0,0]=1 1200 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,1,0,0,0,0|0,0,0]=1 1201 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,1,0,0,0,0|0,0,0]=1 1202 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,1,0,0,0,0|0,0,0]=1 1203 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,1,0,0,0,0|0,0,0]=1 1204 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,1,0,0,0,0|0,0,0]=1 1205 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,1,0,0,0,0|0,0,0]=1 1206 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,1,0,0,0,0|0,0,0]=1 1207 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,1,0,0,0,0|0,0,0]=1 1208 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,1,0,0,0,0|0,0,0]=1 1209 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,1,0,0,0,0|0,0,0]=1 1210 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,1,0,0,0,0|0,0,0]=1 1211 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,1,0,0,0,0|0,0,0]=1 1212 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,1,0,0,0,0|0,0,0]=1 1213 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,1,0,0,0,0|0,0,0]=1 1214 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,1,0,0,0,0|0,0,0]=1 1215 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,1,0,0,0,0|0,0,0]=1 1216 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,1,0,0,0,0|0,0,0]=1 1217 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,1,0,0,0,0|0,0,0]=1 1218 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,1,0,0,0,0|1,0,0]=2 1219 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,1,0,0,0,0|1,0,0]=2 1220 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,1,0,0,0,0|1,0,0]=2 1221 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,1,0,0,0,0|1,0,0]=2 1222 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,1,0,0,0,0|0,0,0]=1 1223 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,1,0,0,0,0|0,0,0]=1 1224 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,1,0,0,0,0|1,0,0]=2 1225 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [0,1,0,0,0,0|1,0,1]=3 1226 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,1,0,0,0,0|0,0,1]=2 1227 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,1,0,0,0,0|1,0,0]=2 1228 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,1,0,0,0,0|2,0,0]=3 1229 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,1,0,0,0,0|2,0,0]=3 1230 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,1,0,0,0,0|2,0,0]=3 1231 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,1,0,0,0,0|2,0,0]=3 1232 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,1,0,0,0,0|2,0,0]=3 1233 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,1,0,0,0,0|2,0,0]=3 1234 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,1,0,0,0,0|2,0,0]=3 1235 B8R0.8 [N-]=[N+]=NC[C@H](O)C(=O)O MCULE-8751271425 [0,1,0,0,0,0|3,0,0]=4 1236 B8R0.12 C#CCC(C)(C)C(=O)O MCULE-9823304703 [0,1,0,0,0,0|1,0,2]=4 1237 B8R0.12 C#CCC(C)(N)C(=O)O MCULE-8114982544 [0,1,0,0,0,0|0,0,2]=3 1238 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2326062849 [0,1,0,0,0,0|0,0,2]=3 1239 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2897598223 [0,1,0,0,0,0|0,0,2]=3 1240 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-6332359697 [0,1,0,0,0,0|0,0,2]=3 1241 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-9265618717 [0,1,0,0,0,0|0,0,2]=3 1242 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-2976528694 [0,1,0,0,0,0|0,0,2]=3 1243 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-7418052843 [0,1,0,0,0,0|0,0,2]=3 1244 B8R0.12 C=CCC(C)(C)C(=O)O MCULE-7428318853 [0,1,0,0,0,0|1,0,2]=4 1245 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [0,1,0,0,0,0|0,0,2]=3 1246 B8R0.12 C=CCC(F)(F)C(=O)O MCULE-5503944687 [0,1,0,0,0,0|1,0,2]=4 1247 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [0,1,0,0,0,0|0,0,2]=3 1248 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [0,1,0,0,0,0|0,0,2]=3 1249 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [0,1,0,0,0,0|0,0,2]=3 1250 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [0,1,0,0,0,0|0,0,2]=3 1251 B8R0.12 CC(C)(CC#N)C(=O)O MCULE-5490055179 [0,1,0,0,0,0|2,0,1]=4 1252 B8R0.12 CC(C)(CCCl)C(=O)Cl MCULE-2654588224 [0,1,0,0,0,0|3,0,0]=4 1253 B8R0.12 CC(C)(CCN)C(=O)O MCULE-2948071531 [0,1,0,0,0,0|2,0,0]=3 1254 B8R0.12 CC(C)(CCN)C(=O)O MCULE-9113980340 [0,1,0,0,0,0|2,0,0]=3 1255 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [0,1,0,0,0,0|2,0,0]=3 1256 B8R0.12 CC(C)(CCO)C(=O)[O-] MCULE-5034791567 [0,1,0,0,0,0|2,0,1]=4 1257 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [0,1,0,0,0,0|1,0,0]=2 1258 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [0,1,0,0,0,0|1,0,0]=2 1259 B8R0.12 CCCC(C)(C)C(=O)C MCULE-3472590451 [0,1,0,0,0,0|2,0,0]=3 1260 B8R0.12 CCCC(C)(C)C(=O)Cl MCULE-1035499713 [0,1,0,0,0,0|2,0,0]=3 1261 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [0,1,0,0,0,0|1,0,0]=2 1262 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [0,1,0,0,0,0|0,0,0]=1 1263 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [0,1,0,0,0,0|2,0,0]=3 1264 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [0,1,0,0,0,0|1,0,0]=2 1265 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [0,1,0,0,0,0|1,0,0]=2 1266 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [0,1,0,0,0,0|0,0,0]=1 1267 B8R0.12 CCNC(C)(C)C(=O)N MCULE-9687659825 [0,1,0,0,0,0|3,0,0]=4 1268 B8R0.12 CCNC(C)(C)C(=O)O MCULE-5196592202 [0,1,0,0,0,0|2,0,0]=3 1269 B8R0.12 CCNC(C)(C)C(=O)O MCULE-7185239447 [0,1,0,0,0,0|2,0,0]=3 1270 B8R0.12 CCOC(C)(C)C(=O)N MCULE-6728122742 [0,1,0,0,0,0|3,0,0]=4 1271 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [0,1,0,0,0,0|2,0,0]=3 1272 B8R0.12 CCOP(=O)(O)C(=O)O MCULE-8851144535 [0,1,0,0,0,0|3,0,0]=4 1273 B8R0.12 CNCC(C)(C)C(=O)O MCULE-1701621773 [0,1,0,0,0,0|2,0,0]=3 1274 B8R0.12 CNCC(C)(C)C(=O)O MCULE-7669976515 [0,1,0,0,0,0|2,0,0]=3 1275 B8R0.12 CNCC(F)(F)C(=O)O MCULE-3707622806 [0,1,0,0,0,0|2,0,0]=3 1276 B8R0.12 CNCC(F)(F)C(=O)O MCULE-4421374171 [0,1,0,0,0,0|2,0,0]=3 1277 B8R0.12 COCC(C)(C)C(=O)O MCULE-9074673500 [0,1,0,0,0,0|2,0,0]=3 1278 B8R0.12 COCC(C)(N)C(=O)N MCULE-3533018780 [0,1,0,0,0,0|2,0,0]=3 1279 B8R0.12 COCC(C)(N)C(=O)N MCULE-9747751712 [0,1,0,0,0,0|2,0,0]=3 1280 B8R0.12 COCC(C)(O)C(=O)O MCULE-7674892239 [0,1,0,0,0,0|2,0,0]=3 1281 B8R0.12 COCC(F)(F)C(=O)O MCULE-6981513055 [0,1,0,0,0,0|2,0,0]=3 1282 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [0,1,0,0,0,0|2,0,0]=3 1283 B8R0.12 NCCC(F)(F)C(=O)O MCULE-3814517866 [0,1,0,0,0,0|2,0,0]=3 1284 B8R0.14 CCCC(C)C(C)(C)O MCULE-2569743231 [0,1,0,0,0,0|2,0,1]=4 1285 B8R0.14 CCCC(C)S(=O)(=O)Cl MCULE-1409211889 [0,1,0,0,0,0|2,0,1]=4 1286 B8R0.14 CCCC(C)S(=O)(=O)N MCULE-5329475614 [0,1,0,0,0,0|2,0,1]=4 1287 B8R0.14 CCCC(N)C(C)(C)C MCULE-1269755653 [0,1,0,0,0,0|2,0,1]=4 1288 B8R0.14 CCCC(N)C(C)(C)C MCULE-9780401895 [0,1,0,0,0,0|2,0,1]=4 1289 B8R0.14 CCCC(N)C(F)(F)F MCULE-2357925284 [0,1,0,0,0,0|2,0,1]=4 1290 B8R0.14 CCC[C@@H](N)C(F)(F)F MCULE-5000909118 [0,1,0,0,0,0|2,0,1]=4 1291 B8R0.14 CCC[C@@H](N)C(F)(F)F MCULE-5068719453 [0,1,0,0,0,0|2,0,1]=4 1292 B8R0.14 CCC[C@@H](N)C(F)(F)F MCULE-7143820857 [0,1,0,0,0,0|2,0,1]=4 1293 B8R0.14 CCC[C@H](N)C(F)(F)F MCULE-1398705144 [0,1,0,0,0,0|2,0,1]=4 1294 B8R0.14 CCC[C@H](N)C(F)(F)F MCULE-2718029886 [0,1,0,0,0,0|2,0,1]=4 1295 B8R0.14 CCC[C@H](N)C(F)(F)F MCULE-4915411228 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.14 CCC[C@H](N)C(F)(F)F MCULE-9207080377 [0,1,0,0,0,0|2,0,1]=4 1297 B8R0.15 C#CC(OCC)C(=O)O MCULE-4920328481 [0,1,0,0,0,0|2,0,0]=3 1298 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [0,1,0,0,0,0|1,0,2]=4 1299 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [0,1,0,0,0,0|2,0,0]=3 1300 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [0,1,0,0,0,0|2,0,0]=3 1301 B8R0.15 CCCC(=NO)C(=O)N MCULE-4974052536 [0,1,0,0,0,0|1,0,2]=4 1302 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [0,1,0,0,0,0|0,0,1]=2 1303 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [0,1,0,0,0,0|2,0,0]=3 1304 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [0,1,0,0,0,0|1,0,0]=2 1305 B8R0.15 CCCC(CN)N(C)C MCULE-7046503709 [0,1,0,0,0,0|3,0,0]=4 1306 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [0,1,0,0,0,0|1,0,0]=2 1307 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [0,1,0,0,0,0|0,0,0]=1 1308 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [0,1,0,0,0,0|0,0,0]=1 1309 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [0,1,0,0,0,0|0,0,0]=1 1310 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [0,1,0,0,0,0|0,0,0]=1 1311 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [0,1,0,0,0,0|1,0,0]=2 1312 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [0,1,0,0,0,0|0,0,0]=1 1313 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [0,1,0,0,0,0|0,0,0]=1 1314 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [0,1,0,0,0,0|1,0,0]=2 1315 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [0,1,0,0,0,0|1,0,0]=2 1316 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [0,1,0,0,0,0|0,0,0]=1 1317 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [0,1,0,0,0,0|0,0,0]=1 1318 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [0,1,0,0,0,0|0,0,0]=1 1319 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [0,1,0,0,0,0|0,0,0]=1 1320 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [0,1,0,0,0,0|2,0,0]=3 1321 B8R0.15 CCOC(CC)C(=O)N MCULE-8093014638 [0,1,0,0,0,0|3,0,0]=4 1322 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [0,1,0,0,0,0|2,0,0]=3 1323 B8R0.15 CNC(CCN)C(=O)N MCULE-4176706453 [0,1,0,0,0,0|2,0,0]=3 1324 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [0,1,0,0,0,0|1,0,0]=2 1325 B8R0.15 CNC(COC)C(=O)N MCULE-9124173069 [0,1,0,0,0,0|2,0,0]=3 1326 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [0,1,0,0,0,0|1,0,0]=2 1327 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [0,1,0,0,0,0|1,0,0]=2 1328 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [0,1,0,0,0,0|1,0,0]=2 1329 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [0,1,0,0,0,0|1,0,0]=2 1330 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2651499559 [0,1,0,0,0,0|2,0,0]=3 1331 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2761071254 [0,1,0,0,0,0|2,0,0]=3 1332 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [0,1,0,0,0,0|1,0,0]=2 1333 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [0,1,0,0,0,0|1,0,0]=2 1334 B8R0.15 COC(CCN)C(=O)N MCULE-4310174639 [0,1,0,0,0,0|3,0,0]=4 1335 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [0,1,0,0,0,0|2,0,0]=3 1336 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [0,1,0,0,0,0|2,0,0]=3 1337 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [0,1,0,0,0,0|1,0,0]=2 1338 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [0,1,0,0,0,0|1,0,0]=2 1339 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,1,0,0,0,0|0,0,0]=1 1340 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,0|1,0,0]=2 1341 B8R0.23 C/C(=C\C(C)C)/C(=O)O MCULE-7989780609 [0,1,0,0,0,0|1,0,2]=4 1342 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,0,0|0,0,2]=3 1343 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,0,0|0,0,2]=3 1344 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,0,0|0,0,2]=3 1345 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,0,0|0,0,2]=3 1346 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,0,0|0,0,2]=3 1347 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,0|1,0,1]=3 1348 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,0|0,0,1]=2 1349 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,0|0,0,1]=2 1350 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,0|1,0,1]=3 1351 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,0|0,0,1]=2 1352 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,0|0,0,1]=2 1353 B8R0.23 C=C(CC(C)C)C(=O)C MCULE-3118173847 [0,1,0,0,0,0|2,0,1]=4 1354 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [0,1,0,0,0,0|1,0,1]=3 1355 B8R0.23 C=C(CN(C)C)C(=O)O MCULE-9526642183 [0,1,0,0,0,0|2,0,1]=4 1356 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,0,0|0,0,2]=3 1357 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,0,0|0,0,2]=3 1358 B8R0.23 CC(=O)C(=O)CC(C)C MCULE-9490612135 [0,1,0,0,0,0|2,0,1]=4 1359 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [0,1,0,0,0,0|2,0,0]=3 1360 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|2,0,1]=4 1361 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [0,1,0,0,0,0|1,0,0]=2 1362 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,0|1,0,1]=3 1363 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,0|0,0,1]=2 1364 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,0|0,0,1]=2 1365 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,0|2,0,1]=4 1366 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,0|1,0,1]=3 1367 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,0|2,0,1]=4 1368 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,0|2,0,1]=4 1369 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,0|2,0,1]=4 1370 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,0|2,0,1]=4 1371 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,0|2,0,1]=4 1372 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,0|2,0,1]=4 1373 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,0|2,0,1]=4 1374 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,0|2,0,1]=4 1375 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,0|2,0,1]=4 1376 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,0|2,0,1]=4 1377 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,0|2,0,1]=4 1378 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,0|2,0,1]=4 1379 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,1,0,0,0,0|1,0,1]=3 1380 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-1379368650 [0,1,0,0,0,0|1,0,2]=4 1381 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-8698784345 [0,1,0,0,0,0|1,0,2]=4 1382 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,1,0,0,0,0|1,0,0]=2 1383 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,1,0,0,0,0|1,0,0]=2 1384 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,1,0,0,0,0|1,0,0]=2 1385 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,1,0,0,0,0|1,0,0]=2 1386 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,1,0,0,0,0|1,0,0]=2 1387 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [0,1,0,0,0,0|1,0,0]=2 1388 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [0,1,0,0,0,0|1,0,0]=2 1389 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,1,0,0,0,0|0,0,0]=1 1390 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,1,0,0,0,0|0,0,0]=1 1391 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,1,0,0,0,0|1,0,0]=2 1392 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,1,0,0,0,0|1,0,0]=2 1393 B8R0.23 CC(C)CN(C)C(=O)Cl MCULE-8402254804 [0,1,0,0,0,0|3,0,0]=4 1394 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,1,0,0,0,0|1,0,0]=2 1395 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,1,0,0,0,0|1,0,0]=2 1396 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [0,1,0,0,0,0|1,0,0]=2 1397 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,1,0,0,0,0|0,0,0]=1 1398 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,1,0,0,0,0|0,0,0]=1 1399 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,1,0,0,0,0|1,0,0]=2 1400 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,1,0,0,0,0|1,0,0]=2 1401 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,1,0,0,0,0|1,0,0]=2 1402 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,1,0,0,0,0|1,0,0]=2 1403 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,1,0,0,0,0|1,0,0]=2 1404 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,1,0,0,0,0|1,0,0]=2 1405 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [0,1,0,0,0,0|1,0,0]=2 1406 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [0,1,0,0,0,0|1,0,0]=2 1407 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [0,1,0,0,0,0|1,0,0]=2 1408 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [0,1,0,0,0,0|1,0,0]=2 1409 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,1,0,0,0,0|0,0,0]=1 1410 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,1,0,0,0,0|0,0,0]=1 1411 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,1,0,0,0,0|0,0,0]=1 1412 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,1,0,0,0,0|1,0,0]=2 1413 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,1,0,0,0,0|1,0,0]=2 1414 B8R0.23 CC(C)NC(=O)C(=O)O MCULE-3351257571 [0,1,0,0,0,0|2,0,1]=4 1415 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,1,0,0,0,0|2,0,0]=3 1416 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,1,0,0,0,0|2,0,0]=3 1417 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,1,0,0,0,0|2,0,0]=3 1418 B8R0.23 CC(C)OC(C)C(=O)[O-] MCULE-2169564496 [0,1,0,0,0,0|2,0,1]=4 1419 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,1,0,0,0,0|2,0,0]=3 1420 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,0|2,0,1]=4 1421 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|2,0,1]=4 1422 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|2,0,1]=4 1423 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [0,1,0,0,0,0|2,0,0]=3 1424 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,1,0,0,0,0|2,0,0]=3 1425 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,1,0,0,0,0|2,0,0]=3 1426 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,0|2,0,0]=3 1427 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,1,0,0,0,0|1,0,0]=2 1428 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,1,0,0,0,0|1,0,0]=2 1429 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,1,0,0,0,0|2,0,0]=3 1430 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,1,0,0,0,0|1,0,0]=2 1431 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,1,0,0,0,0|1,0,0]=2 1432 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,1,0,0,0,0|1,0,0]=2 1433 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,1,0,0,0,0|1,0,0]=2 1434 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,1,0,0,0,0|1,0,0]=2 1435 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,1,0,0,0,0|2,0,0]=3 1436 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,0|1,0,0]=2 1437 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,0|1,0,0]=2 1438 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,0|1,0,0]=2 1439 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|2,0,1]=4 1440 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|2,0,1]=4 1441 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|2,0,1]=4 1442 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|2,0,1]=4 1443 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,1,0,0,0,0|0,0,0]=1 1444 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,1,0,0,0,0|0,0,0]=1 1445 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,0|1,0,0]=2 1446 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|2,0,1]=4 1447 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,0|2,0,1]=4 1448 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,0|1,0,1]=3 1449 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,0|2,0,1]=4 1450 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,0|1,0,1]=3 1451 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,0|1,0,1]=3 1452 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,0|2,0,1]=4 1453 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,0|2,0,1]=4 1454 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,0|2,0,1]=4 1455 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,0|2,0,1]=4 1456 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,0|1,0,1]=3 1457 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,0|1,0,1]=3 1458 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|2,0,1]=4 1459 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|2,0,1]=4 1460 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|2,0,1]=4 1461 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|2,0,1]=4 1462 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|2,0,1]=4 1463 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|2,0,1]=4 1464 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|1,0,1]=3 1465 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|1,0,1]=3 1466 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|1,0,2]=4 1467 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|1,0,2]=4 1468 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,0|1,0,1]=3 1469 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,0,0|1,0,2]=4 1470 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,0,0|1,0,2]=4 1471 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [0,1,0,0,0,0|1,0,0]=2 1472 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [0,1,0,0,0,0|1,0,0]=2 1473 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|1,0,1]=3 1474 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|1,0,1]=3 1475 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|1,0,2]=4 1476 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,0|1,0,1]=3 1477 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,0,0|1,0,2]=4 1478 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,0,0|1,0,2]=4 1479 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,0,0|1,0,2]=4 1480 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,0,0|1,0,2]=4 1481 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,0,0|1,0,2]=4 1482 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [0,1,0,0,0,0|1,0,0]=2 1483 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [0,1,0,0,0,0|1,0,0]=2 1484 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [0,1,0,0,0,0|1,0,0]=2 1485 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [0,1,0,0,0,0|1,0,0]=2 1486 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,0|2,0,0]=3 1487 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,0|2,0,0]=3 1488 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|1,0,1]=3 1489 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [0,1,0,0,0,0|1,0,0]=2 1490 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [0,1,0,0,0,0|1,0,0]=2 1491 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|2,0,1]=4 1492 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|2,0,1]=4 1493 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|2,0,1]=4 1494 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|2,0,1]=4 1495 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|2,0,1]=4 1496 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|2,0,1]=4 1497 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|2,0,1]=4 1498 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|2,0,1]=4 1499 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|2,0,1]=4 1500 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|2,0,1]=4 1501 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|2,0,1]=4 1502 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|2,0,1]=4 1503 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|2,0,1]=4 1504 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|2,0,1]=4 1505 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|2,0,1]=4 1506 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|2,0,1]=4 1507 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|2,0,1]=4 1508 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|1,0,1]=3 1509 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [0,1,0,0,0,0|1,0,0]=2 1510 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [0,1,0,0,0,0|1,0,0]=2 1511 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [0,1,0,0,0,0|1,0,0]=2 1512 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,0|1,0,0]=2 1513 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,0,0|2,0,1]=4 1514 B8R1.5 BrC1=CCCCC1Br MCULE-4680116883 [0,0,0,1,0,0|3,0,0]=4 1515 B8R1.5 BrC1CCCOC1Br MCULE-5122148511 [0,0,0,1,0,0|2,0,1]=4 1516 B8R1.5 C=C1CCCCC1O MCULE-3853228524 [0,0,0,1,0,0|3,0,0]=4 1517 B8R1.5 C=C1CCCCC1O MCULE-5911864977 [0,0,0,1,0,0|3,0,0]=4 1518 B8R1.5 C=C1CCCNC1=O MCULE-1867993758 [0,0,0,1,0,0|2,0,1]=4 1519 B8R1.5 C=C1COCCC1N MCULE-4966385224 [0,0,0,1,0,0|3,0,0]=4 1520 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [0,0,0,1,0,0|2,0,0]=3 1521 B8R1.5 CC1CCCCC1N MCULE-3041016580 [0,0,0,1,0,0|2,0,1]=4 1522 B8R1.5 CC1CCCCC1N MCULE-4294403075 [0,0,0,1,0,0|2,0,1]=4 1523 B8R1.5 CC1CCCCC1O MCULE-2704647488 [0,0,0,1,0,0|2,0,1]=4 1524 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,0,0,1,0,0|2,0,0]=3 1525 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,0,0,1,0,0|1,0,0]=2 1526 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [0,0,0,1,0,0|3,0,0]=4 1527 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [0,0,0,1,0,0|3,0,0]=4 1528 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [0,0,0,1,0,0|3,0,0]=4 1529 B8R1.5 CC1CNCCC1=O MCULE-6306655160 [0,0,0,1,0,0|3,0,0]=4 1530 B8R1.5 CC1CNCCC1=O MCULE-9018912988 [0,0,0,1,0,0|3,0,0]=4 1531 B8R1.5 CC1COCCC1=O MCULE-2694187526 [0,0,0,1,0,0|3,0,0]=4 1532 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,0,0,1,0,0|3,0,0]=4 1533 B8R1.5 CC1NCCCC1=O MCULE-1303642695 [0,0,0,1,0,0|3,0,0]=4 1534 B8R1.5 CC1NCCCC1=O MCULE-6618358169 [0,0,0,1,0,0|3,0,0]=4 1535 B8R1.5 CC1NCCNC1=O MCULE-3078767867 [0,0,0,1,0,0|3,0,0]=4 1536 B8R1.5 CC1NCCNC1=O MCULE-9884862705 [0,0,0,1,0,0|3,0,0]=4 1537 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [0,0,0,1,0,0|3,0,0]=4 1538 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [0,0,0,1,0,0|3,0,0]=4 1539 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,0,0,1,0,0|3,0,0]=4 1540 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [0,0,0,1,0,0|3,0,0]=4 1541 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [0,0,0,1,0,0|3,0,0]=4 1542 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-2207912311 [0,0,0,1,0,0|2,0,1]=4 1543 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-3227199256 [0,0,0,1,0,0|2,0,1]=4 1544 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-4948677049 [0,0,0,1,0,0|2,0,1]=4 1545 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-6377741621 [0,0,0,1,0,0|2,0,1]=4 1546 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-8426223529 [0,0,0,1,0,0|2,0,1]=4 1547 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-9542068395 [0,0,0,1,0,0|2,0,1]=4 1548 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-3547716632 [0,0,0,1,0,0|2,0,1]=4 1549 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-9259793572 [0,0,0,1,0,0|2,0,1]=4 1550 B8R1.5 C[C@@H]1CCCC[C@H]1N MCULE-2021817746 [0,0,0,1,0,0|2,0,1]=4 1551 B8R1.5 C[C@@H]1CCCC[C@H]1N MCULE-3944837592 [0,0,0,1,0,0|2,0,1]=4 1552 B8R1.5 C[C@@H]1NCCNC1=O MCULE-1719923601 [0,0,0,1,0,0|3,0,0]=4 1553 B8R1.5 C[C@@H]1NCCNC1=O MCULE-3211216058 [0,0,0,1,0,0|3,0,0]=4 1554 B8R1.5 C[C@@H]1NCCNC1=O MCULE-4268624973 [0,0,0,1,0,0|3,0,0]=4 1555 B8R1.5 C[C@H]1CCCC[C@@H]1N MCULE-3841584035 [0,0,0,1,0,0|2,0,1]=4 1556 B8R1.5 C[C@H]1CCCC[C@@H]1N MCULE-4158219749 [0,0,0,1,0,0|2,0,1]=4 1557 B8R1.5 C[C@H]1CCCC[C@@H]1N MCULE-8973971252 [0,0,0,1,0,0|2,0,1]=4 1558 B8R1.5 C[C@H]1CCCC[C@@H]1N MCULE-9885453921 [0,0,0,1,0,0|2,0,1]=4 1559 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-4879328575 [0,0,0,1,0,0|2,0,1]=4 1560 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-7331434797 [0,0,0,1,0,0|2,0,1]=4 1561 B8R1.5 C[C@H]1CCCC[C@H]1N MCULE-1533998857 [0,0,0,1,0,0|2,0,1]=4 1562 B8R1.5 C[C@H]1CCCC[C@H]1N MCULE-5254242664 [0,0,0,1,0,0|2,0,1]=4 1563 B8R1.5 C[C@H]1CCCC[C@H]1N MCULE-5432486645 [0,0,0,1,0,0|2,0,1]=4 1564 B8R1.5 C[C@H]1CCCC[C@H]1N MCULE-7149509445 [0,0,0,1,0,0|2,0,1]=4 1565 B8R1.5 C[C@H]1CNCCC1=O MCULE-8062269317 [0,0,0,1,0,0|3,0,0]=4 1566 B8R1.5 C[C@H]1CNCCC1=O MCULE-9510433313 [0,0,0,1,0,0|3,0,0]=4 1567 B8R1.5 C[C@H]1COCCC1=O MCULE-3103478095 [0,0,0,1,0,0|3,0,0]=4 1568 B8R1.5 C[C@H]1NCCNC1=O MCULE-1350777729 [0,0,0,1,0,0|3,0,0]=4 1569 B8R1.5 C[C@H]1NCCNC1=O MCULE-3433713206 [0,0,0,1,0,0|3,0,0]=4 1570 B8R1.5 C[C@H]1NCCNC1=O MCULE-6014092524 [0,0,0,1,0,0|3,0,0]=4 1571 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,0,0,1,0,0|1,0,0]=2 1572 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,0,0,1,0,0|1,0,0]=2 1573 B8R1.5 NC1CCCCC1Cl MCULE-3676302646 [0,0,0,1,0,0|2,0,1]=4 1574 B8R1.5 NC1CCCCC1Cl MCULE-7920658638 [0,0,0,1,0,0|2,0,1]=4 1575 B8R1.5 NC1CCCCC1F MCULE-6643891539 [0,0,0,1,0,0|2,0,1]=4 1576 B8R1.5 NC1CCCCC1F MCULE-7855236144 [0,0,0,1,0,0|2,0,1]=4 1577 B8R1.5 NC1CCCCC1N MCULE-1677916175 [0,0,0,1,0,0|2,0,1]=4 1578 B8R1.5 NC1CCCCC1N MCULE-9568644004 [0,0,0,1,0,0|2,0,1]=4 1579 B8R1.5 NC1CCCCC1O MCULE-1427424523 [0,0,0,1,0,0|1,0,1]=3 1580 B8R1.5 NC1CCCCC1O MCULE-2793336591 [0,0,0,1,0,0|1,0,1]=3 1581 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,0,0,1,0,0|1,0,0]=2 1582 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,0,0,1,0,0|1,0,0]=2 1583 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,0,0,1,0,0|1,0,0]=2 1584 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,0,0,1,0,0|1,0,0]=2 1585 B8R1.5 NC1CCNCC1O MCULE-2705091841 [0,0,0,1,0,0|2,0,1]=4 1586 B8R1.5 NC1CCOCC1O MCULE-2815184899 [0,0,0,1,0,0|2,0,1]=4 1587 B8R1.5 NC1CCOCC1O MCULE-4548392204 [0,0,0,1,0,0|2,0,1]=4 1588 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,0,0,1,0,0|2,0,0]=3 1589 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,0,0,1,0,0|2,0,0]=3 1590 B8R1.5 NC1COCCC1O MCULE-6374385354 [0,0,0,1,0,0|2,0,1]=4 1591 B8R1.5 NC1COCCC1O MCULE-7944406292 [0,0,0,1,0,0|2,0,1]=4 1592 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [0,0,0,1,0,0|2,0,0]=3 1593 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [0,0,0,1,0,0|2,0,0]=3 1594 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [0,0,0,1,0,0|2,0,0]=3 1595 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,0,0,1,0,0|1,0,0]=2 1596 B8R1.5 N[C@@H]1CCCC[C@@H]1F MCULE-1657692826 [0,0,0,1,0,0|2,0,1]=4 1597 B8R1.5 N[C@@H]1CCCC[C@@H]1F MCULE-3328673946 [0,0,0,1,0,0|2,0,1]=4 1598 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2753918610 [0,0,0,1,0,0|1,0,1]=3 1599 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2761271370 [0,0,0,1,0,0|1,0,1]=3 1600 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-4978213189 [0,0,0,1,0,0|1,0,1]=3 1601 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-9182719952 [0,0,0,1,0,0|1,0,1]=3 1602 B8R1.5 N[C@@H]1CCCC[C@H]1F MCULE-3474870548 [0,0,0,1,0,0|2,0,1]=4 1603 B8R1.5 N[C@@H]1CCCC[C@H]1F MCULE-3984172565 [0,0,0,1,0,0|2,0,1]=4 1604 B8R1.5 N[C@@H]1CCCC[C@H]1F MCULE-4705427644 [0,0,0,1,0,0|2,0,1]=4 1605 B8R1.5 N[C@@H]1CCCC[C@H]1F MCULE-7025237099 [0,0,0,1,0,0|2,0,1]=4 1606 B8R1.5 N[C@@H]1CCCC[C@H]1N MCULE-1186999216 [0,0,0,1,0,0|2,0,1]=4 1607 B8R1.5 N[C@@H]1CCCC[C@H]1N MCULE-2134025562 [0,0,0,1,0,0|2,0,1]=4 1608 B8R1.5 N[C@@H]1CCCC[C@H]1N MCULE-6149251599 [0,0,0,1,0,0|2,0,1]=4 1609 B8R1.5 N[C@@H]1CCCC[C@H]1N MCULE-6588424966 [0,0,0,1,0,0|2,0,1]=4 1610 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-1509174959 [0,0,0,1,0,0|1,0,1]=3 1611 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-2336529349 [0,0,0,1,0,0|1,0,1]=3 1612 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-4732604931 [0,0,0,1,0,0|1,0,1]=3 1613 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-6124510830 [0,0,0,1,0,0|1,0,1]=3 1614 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-7301593250 [0,0,0,1,0,0|1,0,1]=3 1615 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-8501577810 [0,0,0,1,0,0|1,0,1]=3 1616 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,0,0,1,0,0|1,0,0]=2 1617 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,0,0,1,0,0|1,0,0]=2 1618 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,0,0,1,0,0|1,0,0]=2 1619 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,0,0,1,0,0|1,0,0]=2 1620 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-1435526553 [0,0,0,1,0,0|2,0,1]=4 1621 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-8731873892 [0,0,0,1,0,0|2,0,1]=4 1622 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-1888816293 [0,0,0,1,0,0|2,0,1]=4 1623 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3667258867 [0,0,0,1,0,0|2,0,1]=4 1624 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3915823883 [0,0,0,1,0,0|2,0,1]=4 1625 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-9959521476 [0,0,0,1,0,0|2,0,1]=4 1626 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-1071839837 [0,0,0,1,0,0|2,0,1]=4 1627 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-6051401821 [0,0,0,1,0,0|2,0,1]=4 1628 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-7013720281 [0,0,0,1,0,0|2,0,1]=4 1629 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-8477518337 [0,0,0,1,0,0|2,0,1]=4 1630 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-1031623201 [0,0,0,1,0,0|2,0,1]=4 1631 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-2846030882 [0,0,0,1,0,0|2,0,1]=4 1632 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-8863364874 [0,0,0,1,0,0|2,0,1]=4 1633 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-9836639365 [0,0,0,1,0,0|2,0,1]=4 1634 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-4436769496 [0,0,0,1,0,0|2,0,1]=4 1635 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-6163244980 [0,0,0,1,0,0|2,0,1]=4 1636 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-8697534407 [0,0,0,1,0,0|2,0,1]=4 1637 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-9625047427 [0,0,0,1,0,0|2,0,1]=4 1638 B8R1.5 N[C@H]1CCCC[C@@H]1F MCULE-2983212378 [0,0,0,1,0,0|2,0,1]=4 1639 B8R1.5 N[C@H]1CCCC[C@@H]1F MCULE-6196710696 [0,0,0,1,0,0|2,0,1]=4 1640 B8R1.5 N[C@H]1CCCC[C@@H]1N MCULE-3653211978 [0,0,0,1,0,0|2,0,1]=4 1641 B8R1.5 N[C@H]1CCCC[C@@H]1N MCULE-5059719804 [0,0,0,1,0,0|2,0,1]=4 1642 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1277967673 [0,0,0,1,0,0|1,0,1]=3 1643 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1301750612 [0,0,0,1,0,0|1,0,1]=3 1644 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-3861922722 [0,0,0,1,0,0|1,0,1]=3 1645 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-8489439004 [0,0,0,1,0,0|1,0,1]=3 1646 B8R1.5 N[C@H]1CCCC[C@H]1F MCULE-7579368841 [0,0,0,1,0,0|2,0,1]=4 1647 B8R1.5 N[C@H]1CCCC[C@H]1F MCULE-8479221038 [0,0,0,1,0,0|2,0,1]=4 1648 B8R1.5 N[C@H]1CCCC[C@H]1N MCULE-2011367325 [0,0,0,1,0,0|2,0,1]=4 1649 B8R1.5 N[C@H]1CCCC[C@H]1N MCULE-7126233212 [0,0,0,1,0,0|2,0,1]=4 1650 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-1599409645 [0,0,0,1,0,0|1,0,1]=3 1651 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-3318800690 [0,0,0,1,0,0|1,0,1]=3 1652 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-4235445104 [0,0,0,1,0,0|1,0,1]=3 1653 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6518289705 [0,0,0,1,0,0|1,0,1]=3 1654 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6606691116 [0,0,0,1,0,0|1,0,1]=3 1655 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-9979333085 [0,0,0,1,0,0|1,0,1]=3 1656 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,0,0,1,0,0|1,0,0]=2 1657 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,0,0,1,0,0|1,0,0]=2 1658 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,0,0,1,0,0|1,0,0]=2 1659 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,0,0,1,0,0|1,0,0]=2 1660 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-1217623714 [0,0,0,1,0,0|2,0,1]=4 1661 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4607259008 [0,0,0,1,0,0|2,0,1]=4 1662 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4749541215 [0,0,0,1,0,0|2,0,1]=4 1663 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-9683658087 [0,0,0,1,0,0|2,0,1]=4 1664 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1807586879 [0,0,0,1,0,0|2,0,1]=4 1665 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1937023434 [0,0,0,1,0,0|2,0,1]=4 1666 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4374635229 [0,0,0,1,0,0|2,0,1]=4 1667 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4873019238 [0,0,0,1,0,0|2,0,1]=4 1668 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-1937054893 [0,0,0,1,0,0|2,0,1]=4 1669 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-4877924283 [0,0,0,1,0,0|2,0,1]=4 1670 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-6674323819 [0,0,0,1,0,0|2,0,1]=4 1671 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-7305089306 [0,0,0,1,0,0|2,0,1]=4 1672 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-8372108333 [0,0,0,1,0,0|2,0,1]=4 1673 B8R1.5 O=C1CCCCC1=O MCULE-5770827130 [0,0,0,1,0,0|2,0,1]=4 1674 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [0,0,0,1,0,0|2,0,0]=3 1675 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [0,0,0,1,0,0|2,0,0]=3 1676 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [0,0,0,1,0,0|2,0,0]=3 1677 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [0,0,0,1,0,0|2,0,0]=3 1678 B8R1.5 O=C1CCCNC1=O MCULE-3369124759 [0,0,0,1,0,0|2,0,1]=4 1679 B8R1.5 O=C1CCNCC1Br MCULE-1607524353 [0,0,0,1,0,0|3,0,0]=4 1680 B8R1.5 O=C1CCNCC1Br MCULE-2623420651 [0,0,0,1,0,0|3,0,0]=4 1681 B8R1.5 O=C1CCNCC1Br MCULE-9921456309 [0,0,0,1,0,0|3,0,0]=4 1682 B8R1.5 O=C1CCNCC1F MCULE-4156323292 [0,0,0,1,0,0|3,0,0]=4 1683 B8R1.5 O=C1CCNCC1F MCULE-5488977269 [0,0,0,1,0,0|3,0,0]=4 1684 B8R1.5 O=C1CCNC[C@@H]1F MCULE-1703177711 [0,0,0,1,0,0|3,0,0]=4 1685 B8R1.5 O=C1CCNC[C@@H]1F MCULE-2722101377 [0,0,0,1,0,0|3,0,0]=4 1686 B8R1.5 O=C1CCNC[C@@H]1F MCULE-3843083136 [0,0,0,1,0,0|3,0,0]=4 1687 B8R1.5 O=C1CCNC[C@@H]1F MCULE-8423259867 [0,0,0,1,0,0|3,0,0]=4 1688 B8R1.5 O=C1CCNC[C@H]1F MCULE-4893691455 [0,0,0,1,0,0|3,0,0]=4 1689 B8R1.5 O=C1CCNC[C@H]1F MCULE-7014608979 [0,0,0,1,0,0|3,0,0]=4 1690 B8R1.5 O=C1CCOCC1Br MCULE-1103002154 [0,0,0,1,0,0|3,0,0]=4 1691 B8R1.5 O=C1CCOCC1Cl MCULE-6926183930 [0,0,0,1,0,0|3,0,0]=4 1692 B8R1.5 O=C1CCOCC1F MCULE-8590362767 [0,0,0,1,0,0|3,0,0]=4 1693 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [0,0,0,1,0,0|3,0,0]=4 1694 B8R1.5 O=C1CCOC[C@@H]1Br MCULE-8729201111 [0,0,0,1,0,0|3,0,0]=4 1695 B8R1.5 O=C1CCOC[C@@H]1F MCULE-3075219245 [0,0,0,1,0,0|3,0,0]=4 1696 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [0,0,0,1,0,0|2,0,0]=3 1697 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [0,0,0,1,0,0|2,0,0]=3 1698 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [0,0,0,1,0,0|2,0,0]=3 1699 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [0,0,0,1,0,0|2,0,0]=3 1700 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [0,0,0,1,0,0|2,0,0]=3 1701 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [0,0,0,1,0,0|2,0,0]=3 1702 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,0,0,1,0,0|2,0,1]=4 1703 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [0,0,0,1,0,0|1,0,2]=4 1704 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [0,0,0,1,0,0|1,0,0]=2 1705 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [0,0,0,1,0,0|1,0,0]=2 1706 B8R1.5 OC1CCCC=C1Br MCULE-1040444564 [0,0,0,1,0,0|3,0,0]=4 1707 B8R1.5 OC1CCCCC1Cl MCULE-8650942069 [0,0,0,1,0,0|2,0,1]=4 1708 B8R1.5 OC1CCCCC1F MCULE-7634543650 [0,0,0,1,0,0|2,0,1]=4 1709 B8R1.5 OC1CCCCC1O MCULE-2967360901 [0,0,0,1,0,0|2,0,1]=4 1710 B8R1.5 O[C@@H]1CCCC=C1Br MCULE-9847748740 [0,0,0,1,0,0|3,0,0]=4 1711 B8R1.5 O[C@@H]1CCCC[C@H]1F MCULE-2305949625 [0,0,0,1,0,0|2,0,1]=4 1712 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3067807104 [0,0,0,1,0,0|2,0,1]=4 1713 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3429096841 [0,0,0,1,0,0|2,0,1]=4 1714 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-9892753066 [0,0,0,1,0,0|2,0,1]=4 1715 B8R1.5 O[C@@H]1CCCC[C@H]1S MCULE-6222162383 [0,0,0,1,0,0|2,0,1]=4 1716 B8R1.5 O[C@H]1CCCC[C@@H]1F MCULE-7833708338 [0,0,0,1,0,0|2,0,1]=4 1717 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-7078207162 [0,0,0,1,0,0|2,0,1]=4 1718 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-9836847707 [0,0,0,1,0,0|2,0,1]=4 1719 B8R1.5 O[C@H]1CCCC[C@H]1Br MCULE-8133807743 [0,0,0,1,0,0|2,0,1]=4 1720 B8R1.5 O[C@H]1CCCC[C@H]1O MCULE-3539097516 [0,0,0,1,0,0|2,0,1]=4 1721 B8R1.5 [C@@H]1(CCOC[C@@H]1O)N MCULE-2201413833 [0,0,0,1,0,0|2,0,1]=4 1722 B8R1.5 [C@@H]1(CCOC[C@H]1N)O MCULE-7745052941 [0,0,0,1,0,0|2,0,1]=4 1723 B8R1.5 [C@@H]1(COCC[C@@H]1O)N MCULE-2864950342 [0,0,0,1,0,0|2,0,1]=4 1724 B8R1.5 [C@H]1(CCCC[C@H]1F)O MCULE-7751753244 [0,0,0,1,0,0|2,0,1]=4 1725 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-3291339796 [0,0,0,1,0,0|2,0,1]=4 1726 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-5641035715 [0,0,0,1,0,0|2,0,1]=4 1727 B8R1.5 [C@H]1(COCC[C@H]1N)O MCULE-2088495989 [0,0,0,1,0,0|2,0,1]=4 1728 B8R1.5 [C@H]1(COCC[C@H]1O)N MCULE-5409068801 [0,0,0,1,0,0|2,0,1]=4 1729 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,0,0,1,0,0|1,0,0]=2 1730 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,0,0,1,0,0|1,0,0]=2 1731 B8R1.7 C1(CCCN1)C(C)C MCULE-1193597619 [0,0,0,1,0,0|2,0,1]=4 1732 B8R1.7 C1(CCCN1)C(C)C MCULE-5005043134 [0,0,0,1,0,0|2,0,1]=4 1733 B8R1.7 C1(CCCN1)C(F)F MCULE-5617460277 [0,0,0,1,0,0|2,0,1]=4 1734 B8R1.7 C1(CCCN1)C(F)F MCULE-7529295267 [0,0,0,1,0,0|2,0,1]=4 1735 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [0,0,0,1,0,0|3,0,0]=4 1736 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [0,0,0,1,0,0|3,0,0]=4 1737 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,0,0,1,0,0|2,0,0]=3 1738 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,0,0,1,0,0|2,0,0]=3 1739 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [0,0,0,1,0,0|2,0,0]=3 1740 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [0,0,0,1,0,0|2,0,1]=4 1741 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [0,0,0,1,0,0|1,0,2]=4 1742 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,0,0,1,0,0|2,0,0]=3 1743 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,0,0,1,0,0|1,0,0]=2 1744 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,0,0,1,0,0|1,0,0]=2 1745 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,0,0,1,0,0|2,0,0]=3 1746 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [0,0,0,1,0,0|3,0,0]=4 1747 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [0,0,0,1,0,0|3,0,0]=4 1748 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [0,0,0,1,0,0|3,0,0]=4 1749 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [0,0,0,1,0,0|2,0,0]=3 1750 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [0,0,0,1,0,0|2,0,0]=3 1751 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,0,0,1,0,0|3,0,0]=4 1752 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,0,0,1,0,0|1,0,0]=2 1753 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,0,0,1,0,0|1,0,0]=2 1754 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,0,0,1,0,0|1,0,0]=2 1755 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,0,0,1,0,0|1,0,0]=2 1756 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,0,0,1,0,0|2,0,0]=3 1757 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,0,0,1,0,0|2,0,0]=3 1758 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,0,0,1,0,0|1,0,0]=2 1759 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,0,0,1,0,0|1,0,0]=2 1760 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,0,0,1,0,0|2,0,0]=3 1761 B8R1.7 CC(C)C1CCCN1 MCULE-2880698089 [0,0,0,1,0,0|2,0,1]=4 1762 B8R1.7 CC(C)C1CCCN1 MCULE-8748321913 [0,0,0,1,0,0|2,0,1]=4 1763 B8R1.7 CC(C)[C@@H]1CCCN1 MCULE-1080192326 [0,0,0,1,0,0|2,0,1]=4 1764 B8R1.7 CC(C)[C@@H]1CCCN1 MCULE-7041423474 [0,0,0,1,0,0|2,0,1]=4 1765 B8R1.7 CC(C)[C@@H]1CCCN1 MCULE-8923460014 [0,0,0,1,0,0|2,0,1]=4 1766 B8R1.7 CC(C)[C@@H]1CCCN1 MCULE-9332303275 [0,0,0,1,0,0|2,0,1]=4 1767 B8R1.7 CC(C)[C@H]1CCCN1 MCULE-2217061634 [0,0,0,1,0,0|2,0,1]=4 1768 B8R1.7 CC(C)[C@H]1CCCN1 MCULE-7316037645 [0,0,0,1,0,0|2,0,1]=4 1769 B8R1.7 CC(C)[C@H]1CCCN1 MCULE-7382792334 [0,0,0,1,0,0|2,0,1]=4 1770 B8R1.7 CC(C)[C@H]1CCCN1 MCULE-9823510614 [0,0,0,1,0,0|2,0,1]=4 1771 B8R1.7 CC(O)C1CCCC1 MCULE-6730583511 [0,0,0,1,0,0|2,0,1]=4 1772 B8R1.7 CC(O)C1CCCO1 MCULE-2804362263 [0,0,0,1,0,0|2,0,1]=4 1773 B8R1.7 C[C@@H](O)C1CCCC1 MCULE-2530250478 [0,0,0,1,0,0|2,0,1]=4 1774 B8R1.7 C[C@@H](O)[C@H]1CCCO1 MCULE-6393902221 [0,0,0,1,0,0|2,0,1]=4 1775 B8R1.7 C[C@H](O)C1CCCC1 MCULE-9054245488 [0,0,0,1,0,0|2,0,1]=4 1776 B8R1.7 C[C@H](O)C1CCCO1 MCULE-5402066981 [0,0,0,1,0,0|2,0,1]=4 1777 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5014228849 [0,0,0,1,0,0|1,0,1]=3 1778 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5063876687 [0,0,0,1,0,0|1,0,1]=3 1779 B8R1.7 C[C@H](O)[C@@H]1CCCO1 MCULE-3917713920 [0,0,0,1,0,0|2,0,1]=4 1780 B8R1.7 FC(F)C1CCCN1 MCULE-2679624104 [0,0,0,1,0,0|2,0,1]=4 1781 B8R1.7 FC(F)C1CCCN1 MCULE-6665318434 [0,0,0,1,0,0|2,0,1]=4 1782 B8R1.7 FC(F)[C@@H]1CCCN1 MCULE-4550665710 [0,0,0,1,0,0|2,0,1]=4 1783 B8R1.7 FC(F)[C@@H]1CCCN1 MCULE-5404733637 [0,0,0,1,0,0|2,0,1]=4 1784 B8R1.7 FC(F)[C@@H]1CCCN1 MCULE-5465380229 [0,0,0,1,0,0|2,0,1]=4 1785 B8R1.7 FC(F)[C@@H]1CCCN1 MCULE-6799321789 [0,0,0,1,0,0|2,0,1]=4 1786 B8R1.7 FC(F)[C@H]1CCCN1 MCULE-5217394450 [0,0,0,1,0,0|2,0,1]=4 1787 B8R1.7 FC(F)[C@H]1CCCN1 MCULE-9580378678 [0,0,0,1,0,0|2,0,1]=4 1788 B8R1.7 N=C(N)C1CCCC1 MCULE-3526902612 [0,0,0,1,0,0|3,0,0]=4 1789 B8R1.7 N=C(N)C1CCCC1 MCULE-7613986881 [0,0,0,1,0,0|3,0,0]=4 1790 B8R1.7 N=C(N)C1CCCN1 MCULE-3357684433 [0,0,0,1,0,0|2,0,0]=3 1791 B8R1.7 N=C(N)C1CCCN1 MCULE-7506606085 [0,0,0,1,0,0|2,0,0]=3 1792 B8R1.7 N=C(N)C1CCCO1 MCULE-1348627071 [0,0,0,1,0,0|3,0,0]=4 1793 B8R1.7 N=C(N)C1CCCO1 MCULE-4359589378 [0,0,0,1,0,0|3,0,0]=4 1794 B8R1.7 NC(=O)C1=NCCN1 MCULE-8784849906 [0,0,0,1,0,0|2,0,1]=4 1795 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,0,0,1,0,0|2,0,0]=3 1796 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,0,0,1,0,0|1,0,0]=2 1797 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,0,0,1,0,0|1,0,0]=2 1798 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,0,0,1,0,0|2,0,0]=3 1799 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [0,0,0,1,0,0|3,0,0]=4 1800 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [0,0,0,1,0,0|3,0,0]=4 1801 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [0,0,0,1,0,0|3,0,0]=4 1802 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [0,0,0,1,0,0|2,0,0]=3 1803 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,0,0,1,0,0|3,0,0]=4 1804 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-2894820708 [0,0,0,1,0,0|1,0,2]=4 1805 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-3478764941 [0,0,0,1,0,0|1,0,2]=4 1806 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-6696620969 [0,0,0,1,0,0|1,0,2]=4 1807 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-7629009072 [0,0,0,1,0,0|1,0,2]=4 1808 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,0,0,1,0,0|1,0,0]=2 1809 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,0,0,1,0,0|1,0,0]=2 1810 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,0,0,1,0,0|1,0,0]=2 1811 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,0,0,1,0,0|1,0,0]=2 1812 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,0,0,1,0,0|2,0,0]=3 1813 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,0,0,1,0,0|2,0,0]=3 1814 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [0,0,0,1,0,0|3,0,0]=4 1815 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [0,0,0,1,0,0|3,0,0]=4 1816 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [0,0,0,1,0,0|3,0,0]=4 1817 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [0,0,0,1,0,0|3,0,0]=4 1818 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,0,0,1,0,0|1,0,0]=2 1819 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,0,0,1,0,0|1,0,0]=2 1820 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,0,0,1,0,0|1,0,0]=2 1821 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,0,0,1,0,0|1,0,0]=2 1822 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [0,0,0,1,0,0|3,0,0]=4 1823 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [0,0,0,1,0,0|3,0,0]=4 1824 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [0,0,0,1,0,0|3,0,0]=4 1825 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [0,0,0,1,0,0|3,0,0]=4 1826 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [0,0,0,1,0,0|3,0,0]=4 1827 B8R1.7 NC(=S)C1CCCC1 MCULE-8081902896 [0,0,0,1,0,0|2,1,0]=4 1828 B8R1.7 NC(=S)C1CCCO1 MCULE-7906949480 [0,0,0,1,0,0|2,1,0]=4 1829 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,0,0,1,0,0|2,0,0]=3 1830 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [0,0,0,1,0,0|2,0,0]=3 1831 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [0,0,0,1,0,0|3,0,0]=4 1832 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [0,0,0,1,0,0|3,0,0]=4 1833 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,0,0,1,0,0|1,0,1]=3 1834 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,0,0,1,0,0|1,0,2]=4 1835 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,0,0,1,0,0|1,0,2]=4 1836 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [0,0,0,1,0,0|2,0,1]=4 1837 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [0,0,0,1,0,0|2,0,1]=4 1838 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,0,0,1,0,0|2,0,1]=4 1839 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,0,0,1,0,0|2,0,1]=4 1840 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,0,0,1,0,0|2,0,1]=4 1841 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,0,0,1,0,0|0,0,2]=3 1842 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,0,0,1,0,0|1,0,2]=4 1843 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,0,0,1,0,0|1,0,1]=3 1844 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [0,0,0,1,0,0|0,0,2]=3 1845 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [0,0,0,1,0,0|0,0,2]=3 1846 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [0,0,0,1,0,0|0,0,2]=3 1847 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [0,0,0,1,0,0|0,0,2]=3 1848 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,0,0,1,0,0|1,0,2]=4 1849 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [0,0,0,1,0,0|1,0,2]=4 1850 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [0,0,0,1,0,0|0,0,2]=3 1851 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,0,0,1,0,0|1,0,0]=2 1852 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,0,0,1,0,0|0,0,0]=1 1853 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,0,0,1,0,0|0,0,0]=1 1854 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,0,0,1,0,0|0,0,0]=1 1855 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,0,0,1,0,0|0,0,0]=1 1856 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,0,0,1,0,0|1,0,0]=2 1857 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,0,0,1,0,0|1,0,0]=2 1858 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,0,0,1,0,0|1,0,0]=2 1859 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,0,0,1,0,0|2,0,0]=3 1860 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,0,0,1,0,0|2,0,0]=3 1861 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,0,0,1,0,0|2,0,0]=3 1862 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [0,0,0,1,0,0|2,0,0]=3 1863 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,0,0,1,0,0|2,0,0]=3 1864 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,0,0,1,0,0|1,0,0]=2 1865 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,0,0,1,0,0|1,0,0]=2 1866 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,0,0,1,0,0|1,0,0]=2 1867 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,0,0,1,0,0|1,0,0]=2 1868 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [0,0,0,1,0,0|3,0,0]=4 1869 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,0,0,1,0,0|1,0,0]=2 1870 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [0,0,0,1,0,0|2,0,0]=3 1871 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,0,0,1,0,0|2,0,0]=3 1872 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [0,0,0,1,0,0|0,0,2]=3 1873 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [0,0,0,1,0,0|0,0,2]=3 1874 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [0,0,0,1,0,0|0,0,2]=3 1875 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [0,0,0,1,0,0|0,0,2]=3 1876 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,0,0,1,0,0|0,0,0]=1 1877 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,0,0,1,0,0|0,0,0]=1 1878 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,0,0,1,0,0|0,0,0]=1 1879 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,0,0,1,0,0|0,0,0]=1 1880 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,0,0,1,0,0|1,0,0]=2 1881 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,0,0,1,0,0|1,0,0]=2 1882 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,0,0,1,0,0|2,0,0]=3 1883 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,0,0,1,0,0|2,0,0]=3 1884 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,0,0,1,0,0|2,0,0]=3 1885 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,0,0,1,0,0|2,0,0]=3 1886 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [0,0,0,1,0,0|2,0,0]=3 1887 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [0,0,0,1,0,0|2,0,0]=3 1888 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,0,0,1,0,0|1,0,0]=2 1889 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,0,0,1,0,0|1,0,0]=2 1890 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,0,0,1,0,0|1,0,0]=2 1891 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,0,0,1,0,0|1,0,0]=2 1892 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,0,0,1,0,0|1,0,0]=2 1893 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,0,0,1,0,0|1,0,0]=2 1894 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [0,0,0,1,0,0|0,0,2]=3 1895 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [0,0,0,1,0,0|0,0,2]=3 1896 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [0,0,0,1,0,0|0,0,2]=3 1897 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,0,0,1,0,0|0,0,0]=1 1898 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,0,0,1,0,0|0,0,0]=1 1899 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,0,0,1,0,0|1,0,0]=2 1900 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,0,0,1,0,0|1,0,0]=2 1901 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,0,0,1,0,0|2,0,0]=3 1902 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,0,0,1,0,0|2,0,0]=3 1903 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,0,0,1,0,0|2,0,0]=3 1904 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,0,0,1,0,0|2,0,0]=3 1905 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [0,0,0,1,0,0|2,0,0]=3 1906 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [0,0,0,1,0,0|2,0,0]=3 1907 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,0,0,1,0,0|1,0,0]=2 1908 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,0,0,1,0,0|1,0,0]=2 1909 B8R1.7 O=C([O-])C1CCC=N1 MCULE-3235635441 [0,0,0,1,0,0|0,0,3]=4 1910 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,0,0,1,0,0|0,0,1]=2 1911 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [0,0,0,1,0,0|1,0,1]=3 1912 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,0,0,1,0,0|0,0,1]=2 1913 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,0,0,1,0,0|0,0,1]=2 1914 B8R1.7 O=N(=O)C1CCCC1 MCULE-6499665829 [0,0,0,1,0,0|2,0,1]=4 1915 B8R1.7 O=S([O-])C1CCCC1 MCULE-4973639131 [0,0,0,1,0,0|2,0,1]=4 1916 B8R1.7 O=S([O-])C1CCCC1 MCULE-9227389818 [0,0,0,1,0,0|2,0,1]=4 1917 B8R1.7 OB(O)C1CCCC1 MCULE-7101191940 [0,0,0,1,0,0|2,0,1]=4 1918 B8R1.7 OB(O)C1CCCN1 MCULE-5123578937 [0,0,0,1,0,0|1,0,1]=3 1919 B8R1.7 OB(O)C1CCCN1 MCULE-6072524963 [0,0,0,1,0,0|1,0,1]=3 1920 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [0,0,0,1,0,0|1,0,1]=3 1921 B8R1.13 CCCC1CCC1=O MCULE-7626165824 [0,0,0,1,0,0|2,0,0]=3 1922 B8R1.13 O=C1CCC1CCCl MCULE-1577834742 [0,0,0,1,0,0|3,0,0]=4 1923 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,0,0,1,0,0|1,0,1]=3 1924 B8R1.18 CC1CC(=O)C(O1)C MCULE-9648127298 [0,0,0,1,0,0|3,0,0]=4 1925 B8R1.18 CC1CC(=O)N(C1)C MCULE-2164356802 [0,0,0,1,0,0|3,0,0]=4 1926 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,0,0,1,0,0|2,0,1]=4 1927 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,0,0,1,0,0|1,0,0]=2 1928 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,0,0,1,0,0|0,0,0]=1 1929 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,0,0,1,0,0|0,0,0]=1 1930 B8R1.18 CC1CC(C(O1)C)N MCULE-3274169856 [0,0,0,1,0,0|1,0,1]=3 1931 B8R1.18 CC1CC(C(O1)C)N MCULE-9455862703 [0,0,0,1,0,0|1,0,1]=3 1932 B8R1.18 CC1CC(C(O1)C)S MCULE-4786793091 [0,0,0,1,0,0|2,0,1]=4 1933 B8R1.18 CC1CN(CC1=O)C MCULE-3780339739 [0,0,0,1,0,0|3,0,0]=4 1934 B8R1.18 CN1CC(C(C1)O)N MCULE-2599335817 [0,0,0,1,0,0|2,0,1]=4 1935 B8R1.18 CN1CC(C(C1)O)N MCULE-6847369546 [0,0,0,1,0,0|2,0,1]=4 1936 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-2486938322 [0,0,0,1,0,0|2,0,1]=4 1937 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-5836595032 [0,0,0,1,0,0|2,0,1]=4 1938 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-6830124811 [0,0,0,1,0,0|2,0,1]=4 1939 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-9514040195 [0,0,0,1,0,0|2,0,1]=4 1940 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-3812148649 [0,0,0,1,0,0|2,0,1]=4 1941 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-5853867679 [0,0,0,1,0,0|2,0,1]=4 1942 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-7840416361 [0,0,0,1,0,0|2,0,1]=4 1943 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-8395934464 [0,0,0,1,0,0|2,0,1]=4 1944 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,0,0,1,0,0|2,0,1]=4 1945 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,0,0,1,0,0|2,0,1]=4 1946 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,0,0,1,0,0|2,0,1]=4 1947 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,0,0,1,0,0|1,0,1]=3 1948 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,0,0,1,0,0|1,0,1]=3 1949 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,0,0,1,0,0|2,0,1]=4 1950 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,0,0,1,0,0|2,0,1]=4 1951 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,0,0,1,0,0|1,0,1]=3 1952 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,0,0,1,0,0|1,0,1]=3 1953 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,0,0,1,0,0|1,0,1]=3 1954 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,0,0,1,0,0|1,0,1]=3 1955 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,0,0,1,0,0|2,0,1]=4 1956 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,0,0,1,0,0|2,0,1]=4 1957 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,0,0,1,0,0|1,0,1]=3 1958 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,0,0,1,0,0|1,0,1]=3 1959 B8R1.19 CC1(CCCC1N)C MCULE-5921379560 [0,0,0,1,0,0|2,0,1]=4 1960 B8R1.19 CC1(CCCC1N)C MCULE-8867080038 [0,0,0,1,0,0|2,0,1]=4 1961 B8R1.19 CC1(CCCC1N)O MCULE-3396541731 [0,0,0,1,0,0|1,0,1]=3 1962 B8R1.19 CC1(CCCC1O)O MCULE-7509860049 [0,0,0,1,0,0|2,0,1]=4 1963 B8R1.19 CC1(CCC[C@@H]1N)C MCULE-2097025606 [0,0,0,1,0,0|2,0,1]=4 1964 B8R1.19 CC1CCCS1(=O)=O MCULE-2985632984 [0,0,0,1,0,0|2,0,1]=4 1965 B8R1.19 C[C@@]1(CCC[C@@H]1N)O MCULE-4508286005 [0,0,0,1,0,0|1,0,1]=3 1966 B8R1.19 C[C@@]1(CCC[C@@H]1N)O MCULE-9668737274 [0,0,0,1,0,0|1,0,1]=3 1967 B8R1.19 C[C@@]1(CCC[C@H]1N)O MCULE-2369187970 [0,0,0,1,0,0|1,0,1]=3 1968 B8R1.19 C[C@]1(CCC[C@@H]1N)O MCULE-2644040109 [0,0,0,1,0,0|1,0,1]=3 1969 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-2446086306 [0,0,0,1,0,0|1,0,1]=3 1970 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-8959851594 [0,0,0,1,0,0|1,0,1]=3 1971 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-9937788175 [0,0,0,1,0,0|1,0,1]=3 1972 B8R1.19 NC1CCCC1(F)F MCULE-4099935690 [0,0,0,1,0,0|2,0,1]=4 1973 B8R1.19 NC1CCCC1(F)F MCULE-5850247735 [0,0,0,1,0,0|2,0,1]=4 1974 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,0|1,0,1]=3 1975 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,0|1,0,2]=4 1976 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,0,0,1,0,0|3,0,0]=4 1977 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,1,0,0|1,0,0]=2 1978 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,0|0,0,0]=1 1979 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-4240668885 [0,0,0,1,0,0|3,0,0]=4 1980 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-8969093472 [0,0,0,1,0,0|3,0,0]=4 1981 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,1,0,0|2,0,0]=3 1982 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,0|0,0,0]=1 1983 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,1,0,0|1,0,0]=2 1984 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,1,0,0|1,0,0]=2 1985 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,0|0,0,0]=1 1986 B8R1.23 NC(=O)C1CC(C1)N MCULE-5148844906 [0,0,0,1,0,0|3,0,0]=4 1987 B8R1.23 NC(=O)C1CC(C1)N MCULE-6769121107 [0,0,0,1,0,0|3,0,0]=4 1988 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [0,0,0,1,0,0|3,0,0]=4 1989 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,0|2,0,0]=3 1990 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,0|2,0,0]=3 1991 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,0|2,0,0]=3 1992 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,0|2,0,0]=3 1993 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,0|2,0,0]=3 1994 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,0|2,0,0]=3 1995 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,0,0,1,0,0|2,0,0]=3 1996 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,0,0,1,0,0|2,0,0]=3 1997 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,0,0,1,0,0|2,0,0]=3 1998 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,0,0|2,0,0]=3 1999 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,0,0,1,0,0|2,0,0]=3 2000 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,0,0,1,0,0|2,0,0]=3 2001 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,0,0|2,0,0]=3 2002 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,0,0,1,0,0|2,0,0]=3 2003 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,0,0,1,0,0|2,0,0]=3 2004 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,0,0|2,0,0]=3 2005 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,0|2,0,1]=4 2006 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,0|1,0,1]=3 2007 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,0|2,0,1]=4 2008 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,0|1,0,1]=3 2009 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,0|1,0,1]=3 2010 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,0|1,0,1]=3 2011 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,0|1,0,1]=3 2012 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,0,0,1,0,0|2,0,0]=3 2013 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [0,0,0,1,0,0|2,0,0]=3 2014 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [0,0,0,1,0,0|2,0,0]=3 2015 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [0,0,0,1,0,0|1,0,0]=2 2016 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [0,0,0,1,0,0|2,0,0]=3 2017 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [0,0,0,1,0,0|2,0,0]=3 2018 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [0,0,0,1,0,0|2,0,0]=3 2019 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [0,0,0,1,0,0|2,0,0]=3 2020 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,0,0,1,0,0|1,0,2]=4 2021 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,0,0,1,0,0|1,0,2]=4 2022 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,0,0,1,0,0|1,0,2]=4 2023 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,0,0,1,0,0|1,0,2]=4 2024 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,0,0,1,0,0|1,0,2]=4 2025 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,0,0,1,0,0|1,0,2]=4 2026 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,0,0,1,0,0|1,0,2]=4 2027 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,0,0,1,0,0|1,0,0]=2 2028 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,0,0,1,0,0|1,0,0]=2 2029 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,0,0,1,0,0|2,0,0]=3 2030 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,0,0,1,0,0|2,0,1]=4 2031 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,0,0,1,0,0|2,0,1]=4 2032 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,0,0,1,0,0|2,0,1]=4 2033 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,0,0,1,0,0|2,0,1]=4 2034 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,0,0,1,0,0|2,0,1]=4 2035 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,0,0,1,0,0|3,0,0]=4 2036 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,0,0,1,0,0|2,0,0]=3 2037 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,0,0,1,0,0|2,0,0]=3 2038 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,0,0,1,0,0|2,0,0]=3 2039 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,0,0,1,0,0|2,0,0]=3 2040 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,0,0,1,0,0|2,0,0]=3 2041 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,0,0,1,0,0|2,0,0]=3 2042 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,0,0,1,0,0|2,0,0]=3 2043 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,0,0,1,0,0|2,0,0]=3 2044 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,0,0,1,0,0|2,0,0]=3 2045 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,0,0,1,0,0|2,0,1]=4 2046 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,0,0,1,0,0|2,0,1]=4 2047 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [0,0,0,1,0,0|0,0,0]=1 2048 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [0,0,0,1,0,0|1,0,1]=3 2049 B8R1.54 CC(=C1CC1)C(=O)O MCULE-5864255450 [0,0,0,1,0,0|1,0,2]=4 2050 B8R1.54 CC(=O)C(=O)C1CC1 MCULE-6206613019 [0,0,0,1,0,0|2,0,1]=4 2051 B8R1.54 CC(=O)C(C)C1CC1 MCULE-9797389889 [0,0,0,1,0,0|2,0,0]=3 2052 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [0,0,0,1,0,0|1,0,0]=2 2053 B8R1.54 CC(C)C(N)C1CC1 MCULE-1856185209 [0,0,0,1,0,0|2,0,1]=4 2054 B8R1.54 CC(C)C(N)C1CC1 MCULE-4020871491 [0,0,0,1,0,0|2,0,1]=4 2055 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5863587661 [0,0,0,1,0,0|1,0,0]=2 2056 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5987826744 [0,0,0,1,0,0|1,0,0]=2 2057 B8R1.54 NC(=O)C(O)C1CC1 MCULE-4055290448 [0,0,0,1,0,0|2,0,0]=3 2058 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [0,0,0,1,0,0|0,0,0]=1 2059 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [0,0,0,1,0,0|0,0,0]=1 2060 B8R1.54 NC(C(F)F)C1CC1 MCULE-4058798364 [0,0,0,1,0,0|2,0,1]=4 2061 B8R1.54 NC(C(F)F)C1CC1 MCULE-6641870280 [0,0,0,1,0,0|2,0,1]=4 2062 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [0,0,0,1,0,0|0,0,0]=1 2063 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [0,0,0,1,0,0|0,0,0]=1 2064 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [0,0,0,1,0,0|0,0,0]=1 2065 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [0,0,0,1,0,0|0,0,0]=1 2066 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [0,0,0,1,0,0|1,0,1]=3 2067 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [0,0,0,1,0,0|1,0,0]=2 2068 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [0,0,0,1,0,0|1,0,0]=2 2069 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [0,0,0,1,0,0|1,0,0]=2 2070 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [0,0,0,1,0,0|1,0,0]=2 2071 B8R1.54 O=C([O-])C(=O)C1CC1 MCULE-3173453359 [0,0,0,1,0,0|1,0,2]=4 2072 B8R1.78 CC(=O)C1(CCC1)C MCULE-7668067765 [0,0,0,1,0,0|2,0,0]=3 2073 B8R1.78 CC(=O)C1(CCC1)O MCULE-9112690180 [0,0,0,1,0,0|2,0,0]=3 2074 B8R1.78 CC(=O)C1(CNC1)F MCULE-3665722852 [0,0,0,1,0,0|3,0,0]=4 2075 B8R1.78 CC(=O)C1(CNC1)F MCULE-6096163194 [0,0,0,1,0,0|3,0,0]=4 2076 B8R1.78 CC(=O)C1(COC1)C MCULE-3650835000 [0,0,0,1,0,0|3,0,0]=4 2077 B8R1.78 CC(C)C1(CCC1)N MCULE-6914017446 [0,0,0,1,0,0|2,0,1]=4 2078 B8R1.78 CC1(CCC1)C(=O)Cl MCULE-4438397604 [0,0,0,1,0,0|2,0,0]=3 2079 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [0,0,0,1,0,0|1,0,0]=2 2080 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [0,0,0,1,0,0|2,0,0]=3 2081 B8R1.78 CC1(CNC1)C(=O)N MCULE-5961415095 [0,0,0,1,0,0|3,0,0]=4 2082 B8R1.78 CC1(CNC1)C(=O)N MCULE-6950504484 [0,0,0,1,0,0|3,0,0]=4 2083 B8R1.78 CC1(CNC1)C(=O)O MCULE-3626067455 [0,0,0,1,0,0|2,0,0]=3 2084 B8R1.78 CC1(CNC1)C(=O)O MCULE-7316902394 [0,0,0,1,0,0|2,0,0]=3 2085 B8R1.78 CC1(COC1)C(=O)O MCULE-6360656030 [0,0,0,1,0,0|2,0,0]=3 2086 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [0,0,0,1,0,0|2,0,0]=3 2087 B8R1.78 NC(=O)C1(CCC1)Br MCULE-3386940591 [0,0,0,1,0,0|2,0,0]=3 2088 B8R1.78 NC(=O)C1(CCC1)N MCULE-1043802844 [0,0,0,1,0,0|1,0,0]=2 2089 B8R1.78 NC(=O)C1(CCC1)N MCULE-8757108427 [0,0,0,1,0,0|1,0,0]=2 2090 B8R1.78 NC(=O)C1(CCC1)O MCULE-9017924933 [0,0,0,1,0,0|2,0,0]=3 2091 B8R1.78 NC(=O)C1(CNC1)O MCULE-4705401931 [0,0,0,1,0,0|3,0,0]=4 2092 B8R1.78 NC(=O)C1(CNC1)O MCULE-6961987506 [0,0,0,1,0,0|3,0,0]=4 2093 B8R1.78 NC(=O)C1(COC1)N MCULE-1019126091 [0,0,0,1,0,0|2,0,0]=3 2094 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-4330568570 [0,0,0,1,0,0|1,0,0]=2 2095 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-9506658674 [0,0,0,1,0,0|1,0,0]=2 2096 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [0,0,0,1,0,0|0,0,0]=1 2097 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [0,0,0,1,0,0|0,0,0]=1 2098 B8R1.78 NC1(CCC1)C(F)F MCULE-1817302854 [0,0,0,1,0,0|2,0,1]=4 2099 B8R1.78 NC1(CCC1)C(F)F MCULE-7583183872 [0,0,0,1,0,0|2,0,1]=4 2100 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [0,0,0,1,0,0|1,0,0]=2 2101 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [0,0,0,1,0,0|1,0,0]=2 2102 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [0,0,0,1,0,0|1,0,0]=2 2103 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [0,0,0,1,0,0|1,0,0]=2 2104 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [0,0,0,1,0,0|1,0,0]=2 2105 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [0,0,0,1,0,0|1,0,0]=2 2106 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [0,0,0,1,0,0|1,0,0]=2 2107 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [0,0,0,1,0,0|1,0,0]=2 2108 B8R1.78 O=C(O)C1(CNC1)F MCULE-7253312158 [0,0,0,1,0,0|2,0,0]=3 2109 B8R1.78 O=C(O)C1(CNC1)O MCULE-3436636334 [0,0,0,1,0,0|2,0,0]=3 2110 B8R1.78 O=C(O)C1(CNC1)O MCULE-4261639250 [0,0,0,1,0,0|2,0,0]=3 2111 B8R1.78 O=C(O)C1(COC1)O MCULE-7009915692 [0,0,0,1,0,0|2,0,0]=3 2112 B8R1.78 O=N(=O)C1(CCC1)Br MCULE-5339530869 [0,0,0,1,0,0|2,0,1]=4 2113 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,0,0,0,0,1|0,0,2]=3 2114 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,0,0,0,0,1|0,0,2]=3 2115 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,0,0,0,0,1|0,0,2]=3 2116 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,0,0,0,0,1|0,0,2]=3 2117 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,0,0,0,0,1|0,0,2]=3 2118 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,0,0,0,0,1|0,0,2]=3 2119 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,0,0,0,0,1|0,0,2]=3 2120 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,0,0,0,0,1|0,0,2]=3 2121 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,0,0,0,0,1|0,0,2]=3 2122 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,0,0,0,0,1|0,0,2]=3 2123 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,0,0,0,0,1|1,0,2]=4 2124 B8R0.5 C=C(C)CC(C)CCC MCULE-7442491404 [0,0,0,0,0,1|3,0,0]=4 2125 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,0,0,0,0,1|1,0,1]=3 2126 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,0,0,0,0,1|0,0,2]=3 2127 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,0,0,0,0,1|0,0,2]=3 2128 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,0,0,0,0,1|0,0,2]=3 2129 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,0,0,0,0,1|0,0,2]=3 2130 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,0,0,0,0,1|0,0,2]=3 2131 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,0,0,0,0,1|0,0,2]=3 2132 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,0,0,0,0,1|0,0,2]=3 2133 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,0,0,0,0,1|0,0,2]=3 2134 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,0,0,0,0,1|0,0,2]=3 2135 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,0,0,0,0,1|0,0,2]=3 2136 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,0,0,0,0,1|0,0,2]=3 2137 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,0,0,0,0,1|0,0,2]=3 2138 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,0,0,0,0,1|1,0,2]=4 2139 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,0,0,0,0,1|1,0,1]=3 2140 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,0,0,0,0,1|1,0,1]=3 2141 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,0,0,0,0,1|2,0,1]=4 2142 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,0,0,0,0,1|1,0,1]=3 2143 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,0,0,0,0,1|2,0,0]=3 2144 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,0,0,0,0,1|1,0,0]=2 2145 B8R0.5 CCCC(C)CC(C)O MCULE-3968478752 [0,0,0,0,0,1|2,0,1]=4 2146 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,0,0,0,0,1|2,0,0]=3 2147 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [0,0,0,0,0,1|2,0,0]=3 2148 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,0,0,0,0,1|2,0,0]=3 2149 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,0,0,0,0,1|0,0,0]=1 2150 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,0,0,0,0,1|0,0,0]=1 2151 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,0,0,0,0,1|0,0,0]=1 2152 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,0,0,0,0,1|0,0,0]=1 2153 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,0,0,0,0,1|1,0,0]=2 2154 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,0,0,0,0,1|2,0,0]=3 2155 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,0,0,0,0,1|2,0,0]=3 2156 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,0,0,0,0,1|2,0,0]=3 2157 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,0,0,0,0,1|0,0,0]=1 2158 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,0,0,0,0,1|0,0,0]=1 2159 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,0,0,0,0,1|0,0,0]=1 2160 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,0,0,0,0,1|0,0,0]=1 2161 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,0,0,0,0,1|0,0,0]=1 2162 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,0,0,0,0,1|2,0,1]=4 2163 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,0,0,0,0,1|2,0,0]=3 2164 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,0,0,0,0,1|2,0,0]=3 2165 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [0,0,0,0,0,1|1,0,1]=3 2166 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [0,0,0,0,0,1|1,0,1]=3 2167 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,0,0,0,0,1|2,0,1]=4 2168 B8R0.5 CCOC(C)SC(=O)C MCULE-7308480995 [0,0,0,0,0,1|3,0,0]=4 2169 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,0,0,0,0,1|2,0,0]=3 2170 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,0,0,0,0,1|3,0,0]=4 2171 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,0,0,0,0,1|2,0,0]=3 2172 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,0,0,0,0,1|2,0,0]=3 2173 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [0,0,0,0,0,1|2,0,1]=4 2174 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,0,0,0,0,1|2,0,0]=3 2175 B8R0.5 COCC(C)NC(=O)N MCULE-1001849810 [0,0,0,0,0,1|3,0,0]=4 2176 B8R0.5 COCC(C)OC(=O)C MCULE-8540773364 [0,0,0,0,0,1|3,0,0]=4 2177 B8R0.5 COCC(C)OC(=O)Cl MCULE-3426225357 [0,0,0,0,0,1|3,0,0]=4 2178 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,0,0,0,0,1|2,0,0]=3 2179 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,0,0,0,0,1|2,0,0]=3 2180 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|0,0,2]=4 2181 B5R0.1 C(C)(N)CCC MCULE-4800297905 [2,0,0,0,0,0|0,0,1]=3 2182 B5R0.1 C(C)(N)CCC MCULE-7674864567 [2,0,0,0,0,0|0,0,1]=3 2183 B5R0.1 C(C)(N)CCO MCULE-5545469271 [2,0,0,0,0,0|1,0,1]=4 2184 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|0,0,2]=4 2185 B5R0.1 C=C(C)CCC MCULE-8225129744 [2,0,0,0,0,0|1,0,1]=4 2186 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,2]=4 2187 B5R0.1 CC#CC(=O)O MCULE-9994142213 [2,0,0,0,0,0|0,0,2]=4 2188 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|2,0,0]=4 2189 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|2,0,0]=4 2190 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|2,0,0]=4 2191 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|2,0,0]=4 2192 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|2,0,0]=4 2193 B5R0.1 CC(N)CCN MCULE-5308134596 [2,0,0,0,0,0|1,0,1]=4 2194 B5R0.1 CC(N)CCN MCULE-5880045507 [2,0,0,0,0,0|1,0,1]=4 2195 B5R0.1 CC(N)CCN MCULE-7827515430 [2,0,0,0,0,0|1,0,1]=4 2196 B5R0.1 CC(N)CCO MCULE-1771399942 [2,0,0,0,0,0|1,0,1]=4 2197 B5R0.1 CC(N)CCO MCULE-7239872808 [2,0,0,0,0,0|1,0,1]=4 2198 B5R0.1 CC(O)CCBr MCULE-7983169885 [2,0,0,0,0,0|2,0,0]=4 2199 B5R0.1 CC(O)CCCl MCULE-2952545606 [2,0,0,0,0,0|2,0,0]=4 2200 B5R0.1 CC(O)CCN MCULE-6836791276 [2,0,0,0,0,0|2,0,0]=4 2201 B5R0.1 CC(O)CCN MCULE-7186260925 [2,0,0,0,0,0|2,0,0]=4 2202 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|2,0,0]=4 2203 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|2,0,0]=4 2204 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|0,0,2]=4 2205 B5R0.1 CCCB(O)O MCULE-4994980798 [2,0,0,0,0,0|1,0,1]=4 2206 B5R0.1 CCCC(=N)N MCULE-5974105638 [2,0,0,0,0,0|1,0,1]=4 2207 B5R0.1 CCCC(=N)N MCULE-9230704591 [2,0,0,0,0,0|1,0,1]=4 2208 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|1,0,0]=3 2209 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,0]=3 2210 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|0,0,1]=3 2211 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|0,0,0]=2 2212 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|0,0,1]=3 2213 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|0,0,1]=3 2214 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|0,1,1]=4 2215 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|0,1,0]=3 2216 B5R0.1 CCCC(C)Br MCULE-3178073667 [2,0,0,0,0,0|1,0,1]=4 2217 B5R0.1 CCCC(C)C MCULE-9604552974 [2,0,0,0,0,0|1,0,1]=4 2218 B5R0.1 CCCC(C)N MCULE-2640298430 [2,0,0,0,0,0|0,0,1]=3 2219 B5R0.1 CCCC(C)N MCULE-7225905167 [2,0,0,0,0,0|0,0,1]=3 2220 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|1,0,0]=3 2221 B5R0.1 CCCC(C)S MCULE-1649095713 [2,0,0,0,0,0|1,0,1]=4 2222 B5R0.1 CCCC(O)Cl MCULE-3188577082 [2,0,0,0,0,0|1,0,0]=3 2223 B5R0.1 CCCN(=O)=O MCULE-5615753372 [2,0,0,0,0,0|1,0,1]=4 2224 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [2,0,0,0,0,0|1,0,1]=4 2225 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [2,0,0,0,0,0|1,0,1]=4 2226 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [2,0,0,0,0,0|0,0,1]=3 2227 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [2,0,0,0,0,0|0,0,1]=3 2228 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [2,0,0,0,0,0|0,0,1]=3 2229 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [2,0,0,0,0,0|0,0,1]=3 2230 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|1,0,0]=3 2231 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [2,0,0,0,0,0|0,0,1]=3 2232 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [2,0,0,0,0,0|0,0,1]=3 2233 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [2,0,0,0,0,0|0,0,1]=3 2234 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [2,0,0,0,0,0|0,0,1]=3 2235 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|1,0,0]=3 2236 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|2,0,0]=4 2237 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|2,0,0]=4 2238 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|1,0,1]=4 2239 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|2,0,0]=4 2240 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [2,0,0,0,0,0|2,0,0]=4 2241 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|1,0,1]=4 2242 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|2,0,0]=4 2243 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|2,0,0]=4 2244 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|2,0,0]=4 2245 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|1,0,1]=4 2246 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|1,0,1]=4 2247 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|1,0,1]=4 2248 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|1,0,0]=3 2249 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|1,0,0]=3 2250 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|1,0,1]=4 2251 B5R0.1 CNCC(C)O MCULE-3671071529 [2,0,0,0,0,0|2,0,0]=4 2252 B5R0.1 CNCC(C)O MCULE-4171705304 [2,0,0,0,0,0|2,0,0]=4 2253 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [2,0,0,0,0,0|2,0,0]=4 2254 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [2,0,0,0,0,0|2,0,0]=4 2255 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [2,0,0,0,0,0|2,0,0]=4 2256 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [2,0,0,0,0,0|2,0,0]=4 2257 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [2,0,0,0,0,0|2,0,0]=4 2258 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [2,0,0,0,0,0|2,0,0]=4 2259 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|2,0,0]=4 2260 B5R0.1 COCC(=O)Cl MCULE-5449267495 [2,0,0,0,0,0|2,0,0]=4 2261 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|1,0,1]=4 2262 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,0]=3 2263 B5R0.1 COCC(C)N MCULE-1896873634 [2,0,0,0,0,0|1,0,1]=4 2264 B5R0.1 COCC(C)N MCULE-2549420211 [2,0,0,0,0,0|1,0,1]=4 2265 B5R0.1 COCC(C)N MCULE-3490410444 [2,0,0,0,0,0|1,0,1]=4 2266 B5R0.1 COCC(C)N MCULE-7089888882 [2,0,0,0,0,0|1,0,1]=4 2267 B5R0.1 COCC(C)O MCULE-4022733014 [2,0,0,0,0,0|2,0,0]=4 2268 B5R0.1 COCC(C)O MCULE-7513310960 [2,0,0,0,0,0|2,0,0]=4 2269 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [2,0,0,0,0,0|1,0,1]=4 2270 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [2,0,0,0,0,0|1,0,1]=4 2271 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [2,0,0,0,0,0|1,0,1]=4 2272 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [2,0,0,0,0,0|1,0,1]=4 2273 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [2,0,0,0,0,0|2,0,0]=4 2274 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [2,0,0,0,0,0|2,0,0]=4 2275 B5R0.1 COC[C@H](C)N MCULE-2465679418 [2,0,0,0,0,0|1,0,1]=4 2276 B5R0.1 COC[C@H](C)N MCULE-2998593539 [2,0,0,0,0,0|1,0,1]=4 2277 B5R0.1 COC[C@H](C)N MCULE-3161045661 [2,0,0,0,0,0|1,0,1]=4 2278 B5R0.1 COC[C@H](C)N MCULE-9550165578 [2,0,0,0,0,0|1,0,1]=4 2279 B5R0.1 COC[C@H](C)O MCULE-5908531683 [2,0,0,0,0,0|2,0,0]=4 2280 B5R0.1 COC[C@H](C)O MCULE-8619138238 [2,0,0,0,0,0|2,0,0]=4 2281 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|2,0,0]=4 2282 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|2,0,0]=4 2283 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|1,0,1]=4 2284 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,0]=3 2285 B5R0.1 CSCC(C)N MCULE-7985946030 [2,0,0,0,0,0|1,0,1]=4 2286 B5R0.1 CSCC(C)O MCULE-2227652351 [2,0,0,0,0,0|2,0,0]=4 2287 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [2,0,0,0,0,0|1,0,1]=4 2288 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [2,0,0,0,0,0|1,0,1]=4 2289 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [2,0,0,0,0,0|2,0,0]=4 2290 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [2,0,0,0,0,0|2,0,0]=4 2291 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [2,0,0,0,0,0|2,0,0]=4 2292 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [2,0,0,0,0,0|2,0,0]=4 2293 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|2,0,0]=4 2294 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|2,0,0]=4 2295 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [2,0,0,0,0,0|1,0,1]=4 2296 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [2,0,0,0,0,0|1,0,1]=4 2297 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [2,0,0,0,0,0|1,0,1]=4 2298 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [2,0,0,0,0,0|1,0,1]=4 2299 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [2,0,0,0,0,0|2,0,0]=4 2300 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [2,0,0,0,0,0|2,0,0]=4 2301 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|2,0,0]=4 2302 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|2,0,0]=4 2303 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|1,0,1]=4 2304 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|1,0,1]=4 2305 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|1,0,1]=4 2306 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|1,0,1]=4 2307 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|1,0,1]=4 2308 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|2,0,0]=4 2309 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|1,0,1]=4 2310 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|1,0,1]=4 2311 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|1,0,0]=3 2312 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|1,0,0]=3 2313 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|1,0,0]=3 2314 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|1,0,1]=4 2315 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|2,0,0]=4 2316 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|2,0,0]=4 2317 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|2,0,0]=4 2318 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|2,0,0]=4 2319 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|2,0,0]=4 2320 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|2,0,0]=4 2321 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|2,0,0]=4 2322 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 2323 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 2324 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 2325 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,0]=3 2326 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,0]=3 2327 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,0]=3 2328 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,0]=3 2329 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|1,0,0]=3 2330 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|1,0,0]=3 2331 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|2,0,0]=4 2332 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|1,0,1]=4 2333 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|1,0,0]=3 2334 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [2,0,0,0,0,0|2,0,0]=4 2335 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|1,0,0]=3 2336 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|0,0,2]=4 2337 B5R0.2 C#CCCCC MCULE-5706969297 [2,0,0,0,0,0|1,0,1]=4 2338 B5R0.2 C/C=C/CCC MCULE-9851656818 [2,0,0,0,0,0|1,0,1]=4 2339 B5R0.2 C/C=C\CCC MCULE-1013657748 [2,0,0,0,0,0|1,0,1]=4 2340 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|0,0,2]=4 2341 B5R0.2 C=CCCCBr MCULE-5027518679 [2,0,0,0,0,0|2,0,0]=4 2342 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|1,0,0]=3 2343 B5R0.2 C=CCCCCl MCULE-3877430809 [2,0,0,0,0,0|2,0,0]=4 2344 B5R0.2 C=CCCCI MCULE-8692831514 [2,0,0,0,0,0|2,0,0]=4 2345 B5R0.2 C=CCCCN MCULE-5787926547 [2,0,0,0,0,0|2,0,0]=4 2346 B5R0.2 C=CCCCN MCULE-7346989227 [2,0,0,0,0,0|2,0,0]=4 2347 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|2,0,0]=4 2348 B5R0.2 C=CCCNC MCULE-2124263362 [2,0,0,0,0,0|2,0,0]=4 2349 B5R0.2 C=CCCNC MCULE-5024925990 [2,0,0,0,0,0|2,0,0]=4 2350 B5R0.2 C=CCCOC MCULE-4681354270 [2,0,0,0,0,0|2,0,0]=4 2351 B5R0.2 C=CCNCC MCULE-6987567673 [2,0,0,0,0,0|2,0,0]=4 2352 B5R0.2 C=CCNCC MCULE-8318544337 [2,0,0,0,0,0|2,0,0]=4 2353 B5R0.2 C=CCOCC MCULE-4363356618 [2,0,0,0,0,0|2,0,0]=4 2354 B5R0.2 C=CCSCC MCULE-3816911529 [2,0,0,0,0,0|2,0,0]=4 2355 B5R0.2 C=COCCC MCULE-4423853666 [2,0,0,0,0,0|2,0,0]=4 2356 B5R0.2 CC#CCC=O MCULE-6071390808 [2,0,0,0,0,0|0,0,2]=4 2357 B5R0.2 CC/C=C/C=O MCULE-5102906061 [2,0,0,0,0,0|0,0,2]=4 2358 B5R0.2 CC=CCCC MCULE-8736231124 [2,0,0,0,0,0|1,0,1]=4 2359 B5R0.2 CCC#CC=O MCULE-3889262436 [2,0,0,0,0,0|0,0,2]=4 2360 B5R0.2 CCC=CC=O MCULE-1318250395 [2,0,0,0,0,0|0,0,2]=4 2361 B5R0.2 CCCC=NO MCULE-7364375780 [2,0,0,0,0,0|1,0,1]=4 2362 B5R0.2 CCCCC#N MCULE-4015236167 [2,0,0,0,0,0|1,0,1]=4 2363 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|0,0,0]=2 2364 B5R0.2 CCCCCBr MCULE-8513521912 [2,0,0,0,0,0|1,0,1]=4 2365 B5R0.2 CCCCCC MCULE-3465692202 [2,0,0,0,0,0|1,0,1]=4 2366 B5R0.2 CCCCCCl MCULE-4412759460 [2,0,0,0,0,0|1,0,1]=4 2367 B5R0.2 CCCCCF MCULE-6399883281 [2,0,0,0,0,0|1,0,1]=4 2368 B5R0.2 CCCCCI MCULE-4590300793 [2,0,0,0,0,0|1,0,1]=4 2369 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|1,0,1]=4 2370 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|1,0,1]=4 2371 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|1,0,1]=4 2372 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|1,0,1]=4 2373 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|0,0,1]=3 2374 B5R0.2 CCCCCS MCULE-5476379340 [2,0,0,0,0,0|0,1,1]=4 2375 B5R0.2 CCCCNC MCULE-9321610906 [2,0,0,0,0,0|2,0,0]=4 2376 B5R0.2 CCCCNN MCULE-6681305566 [2,0,0,0,0,0|2,0,0]=4 2377 B5R0.2 CCCCNN MCULE-6890760890 [2,0,0,0,0,0|2,0,0]=4 2378 B5R0.2 CCCCNN MCULE-7362497327 [2,0,0,0,0,0|2,0,0]=4 2379 B5R0.2 CCCCNN MCULE-8463623644 [2,0,0,0,0,0|2,0,0]=4 2380 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|1,0,0]=3 2381 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|1,0,0]=3 2382 B5R0.2 CCCCOC MCULE-9814272675 [2,0,0,0,0,0|2,0,0]=4 2383 B5R0.2 CCCCON MCULE-7582349983 [2,0,0,0,0,0|2,0,0]=4 2384 B5R0.2 CCCCON MCULE-8175627798 [2,0,0,0,0,0|2,0,0]=4 2385 B5R0.2 CCCCSC MCULE-2799775567 [2,0,0,0,0,0|2,0,0]=4 2386 B5R0.2 CCCN=C=O MCULE-9014468293 [2,0,0,0,0,0|1,0,1]=4 2387 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|1,0,0]=3 2388 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|1,0,0]=3 2389 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|1,0,1]=4 2390 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|1,0,1]=4 2391 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|1,0,1]=4 2392 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|1,0,0]=3 2393 B5R0.2 CCSCCO MCULE-3557086162 [2,0,0,0,0,0|1,0,1]=4 2394 B5R0.2 CNCCCO MCULE-9530478547 [2,0,0,0,0,0|1,0,1]=4 2395 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|1,0,0]=3 2396 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|1,0,1]=4 2397 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|1,0,0]=3 2398 B5R0.2 CSCCCO MCULE-9232413185 [2,0,0,0,0,0|1,0,1]=4 2399 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|1,0,1]=4 2400 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|1,0,1]=4 2401 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|1,0,1]=4 2402 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|1,0,1]=4 2403 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,0]=3 2404 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,0]=3 2405 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,0]=3 2406 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|1,0,0]=3 2407 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|2,0,0]=4 2408 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|2,0,0]=4 2409 B5R0.2 OC=CCCBr MCULE-3964604828 [2,0,0,0,0,0|1,0,1]=4 2410 B5R0.2 OC=CCCBr MCULE-5728835735 [2,0,0,0,0,0|1,0,1]=4 2411 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|1,0,1]=4 2412 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|1,0,1]=4 2413 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|1,0,1]=4 2414 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|1,0,1]=4 2415 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|1,0,1]=4 2416 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|1,0,1]=4 2417 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|1,0,1]=4 2418 B5R0.3 C#CC(N)CC MCULE-2327605941 [2,0,0,0,0,0|1,0,1]=4 2419 B5R0.3 C#CC(N)CC MCULE-3572771620 [2,0,0,0,0,0|1,0,1]=4 2420 B5R0.3 C=C(C=O)CC MCULE-2875154067 [2,0,0,0,0,0|1,0,1]=4 2421 B5R0.3 C=CC(C)CC MCULE-8112547661 [2,0,0,0,0,0|2,0,0]=4 2422 B5R0.3 C=CC(N)CC MCULE-6270835453 [2,0,0,0,0,0|1,0,0]=3 2423 B5R0.3 C=CC(N)CC MCULE-7920121163 [2,0,0,0,0,0|1,0,0]=3 2424 B5R0.3 C=CC(N)CO MCULE-2457433196 [2,0,0,0,0,0|2,0,0]=4 2425 B5R0.3 C=CC(N)CO MCULE-6697949182 [2,0,0,0,0,0|2,0,0]=4 2426 B5R0.3 C=CC(N)CO MCULE-7137123222 [2,0,0,0,0,0|2,0,0]=4 2427 B5R0.3 C=CC(N)CO MCULE-8388687355 [2,0,0,0,0,0|2,0,0]=4 2428 B5R0.3 C=CC(O)CC MCULE-2794806228 [2,0,0,0,0,0|2,0,0]=4 2429 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [2,0,0,0,0,0|2,0,0]=4 2430 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [2,0,0,0,0,0|2,0,0]=4 2431 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [2,0,0,0,0,0|2,0,0]=4 2432 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [2,0,0,0,0,0|2,0,0]=4 2433 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [2,0,0,0,0,0|2,0,0]=4 2434 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [2,0,0,0,0,0|2,0,0]=4 2435 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [2,0,0,0,0,0|2,0,0]=4 2436 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [2,0,0,0,0,0|2,0,0]=4 2437 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [2,0,0,0,0,0|1,0,1]=4 2438 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [2,0,0,0,0,0|1,0,1]=4 2439 B5R0.3 CCC(Br)C=O MCULE-3064952987 [2,0,0,0,0,0|1,0,0]=3 2440 B5R0.3 CCC(Br)CO MCULE-7211805716 [2,0,0,0,0,0|1,0,1]=4 2441 B5R0.3 CCC(C)C=O MCULE-2523669899 [2,0,0,0,0,0|1,0,0]=3 2442 B5R0.3 CCC(C)CO MCULE-6521026296 [2,0,0,0,0,0|1,0,1]=4 2443 B5R0.3 CCC(C)NO MCULE-1247092627 [2,0,0,0,0,0|2,0,0]=4 2444 B5R0.3 CCC(C)NO MCULE-6169819668 [2,0,0,0,0,0|2,0,0]=4 2445 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [2,0,0,0,0,0|1,0,0]=3 2446 B5R0.3 CCC(Cl)CO MCULE-1756262629 [2,0,0,0,0,0|1,0,1]=4 2447 B5R0.3 CCC(N)C#N MCULE-1350483203 [2,0,0,0,0,0|1,0,1]=4 2448 B5R0.3 CCC(N)C#N MCULE-3867024162 [2,0,0,0,0,0|1,0,1]=4 2449 B5R0.3 CCC(N)CBr MCULE-3567691924 [2,0,0,0,0,0|1,0,1]=4 2450 B5R0.3 CCC(N)CC MCULE-4261937519 [2,0,0,0,0,0|1,0,1]=4 2451 B5R0.3 CCC(N)CC MCULE-5899128891 [2,0,0,0,0,0|1,0,1]=4 2452 B5R0.3 CCC(N)CN MCULE-6911484065 [2,0,0,0,0,0|1,0,1]=4 2453 B5R0.3 CCC(N)CN MCULE-8376506697 [2,0,0,0,0,0|1,0,1]=4 2454 B5R0.3 CCC(N)CO MCULE-1135809021 [2,0,0,0,0,0|0,0,1]=3 2455 B5R0.3 CCC(N)CO MCULE-7588854111 [2,0,0,0,0,0|0,0,1]=3 2456 B5R0.3 CCC(O)CO MCULE-2488753438 [2,0,0,0,0,0|1,0,1]=4 2457 B5R0.3 CCC(O)CO MCULE-7297282094 [2,0,0,0,0,0|1,0,1]=4 2458 B5R0.3 CCN(C)C=O MCULE-2308681384 [2,0,0,0,0,0|2,0,0]=4 2459 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [2,0,0,0,0,0|1,0,1]=4 2460 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [2,0,0,0,0,0|1,0,1]=4 2461 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [2,0,0,0,0,0|1,0,1]=4 2462 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [2,0,0,0,0,0|1,0,1]=4 2463 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [2,0,0,0,0,0|0,0,1]=3 2464 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [2,0,0,0,0,0|0,0,1]=3 2465 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [2,0,0,0,0,0|1,0,1]=4 2466 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [2,0,0,0,0,0|1,0,1]=4 2467 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [2,0,0,0,0,0|1,0,1]=4 2468 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [2,0,0,0,0,0|1,0,1]=4 2469 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [2,0,0,0,0,0|1,0,1]=4 2470 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [2,0,0,0,0,0|1,0,1]=4 2471 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [2,0,0,0,0,0|1,0,1]=4 2472 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [2,0,0,0,0,0|1,0,1]=4 2473 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [2,0,0,0,0,0|0,0,1]=3 2474 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [2,0,0,0,0,0|0,0,1]=3 2475 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [2,0,0,0,0,0|1,0,1]=4 2476 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [2,0,0,0,0,0|1,0,1]=4 2477 B5R0.3 NC(CO)CF MCULE-3756808200 [2,0,0,0,0,0|1,0,1]=4 2478 B5R0.3 NC(CO)CF MCULE-9468719402 [2,0,0,0,0,0|1,0,1]=4 2479 B5R0.3 NC(CO)CO MCULE-1559988016 [2,0,0,0,0,0|1,0,1]=4 2480 B5R0.3 NC(CO)CO MCULE-4954119952 [2,0,0,0,0,0|1,0,1]=4 2481 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [2,0,0,0,0,0|1,0,1]=4 2482 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [2,0,0,0,0,0|1,0,1]=4 2483 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [2,0,0,0,0,0|1,0,1]=4 2484 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [2,0,0,0,0,0|1,0,1]=4 2485 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [2,0,0,0,0,0|1,0,1]=4 2486 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [2,0,0,0,0,0|1,0,1]=4 2487 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [2,0,0,0,0,0|1,0,1]=4 2488 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [2,0,0,0,0,0|1,0,1]=4 2489 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [2,0,0,0,0,0|1,0,1]=4 2490 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [2,0,0,0,0,0|1,0,1]=4 2491 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [2,0,0,0,0,0|1,0,1]=4 2492 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [2,0,0,0,0,0|1,0,1]=4 2493 B5R0.3 O=CC(O)CO MCULE-9581740191 [2,0,0,0,0,0|2,0,0]=4 2494 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [2,0,0,0,0,0|2,0,0]=4 2495 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [2,0,0,0,0,0|2,0,0]=4 2496 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [2,0,0,0,0,0|2,0,0]=4 2497 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [2,0,0,0,0,0|1,0,1]=4 2498 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [2,0,0,0,0,0|1,0,1]=4 2499 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [2,0,0,0,0,0|2,0,0]=4 2500 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [2,0,0,0,0,0|2,0,0]=4 2501 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [2,0,0,0,0,0|2,0,0]=4 2502 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [2,0,0,0,0,0|2,0,0]=4 2503 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [2,0,0,0,0,0|1,0,0]=3 2504 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [2,0,0,0,0,0|1,0,0]=3 2505 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [2,0,0,0,0,0|2,0,0]=4 2506 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [2,0,0,0,0,0|2,0,0]=4 2507 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [2,0,0,0,0,0|2,0,0]=4 2508 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [2,0,0,0,0,0|1,0,0]=3 2509 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [2,0,0,0,0,0|1,0,0]=3 2510 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [2,0,0,0,0,0|1,0,0]=3 2511 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [2,0,0,0,0,0|1,0,0]=3 2512 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [2,0,0,0,0,0|2,0,0]=4 2513 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [2,0,0,0,0,0|2,0,0]=4 2514 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [2,0,0,0,0,0|2,0,0]=4 2515 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [2,0,0,0,0,0|1,0,0]=3 2516 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [2,0,0,0,0,0|1,0,0]=3 2517 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [2,0,0,0,0,0|2,0,0]=4 2518 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [2,0,0,0,0,0|2,0,0]=4 2519 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [2,0,0,0,0,0|2,0,0]=4 2520 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [2,0,0,0,0,0|1,0,0]=3 2521 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [2,0,0,0,0,0|1,1,0]=4 2522 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [2,0,0,0,0,0|2,0,0]=4 2523 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [2,0,0,0,0,0|2,0,0]=4 2524 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [2,0,0,0,0,0|2,0,0]=4 2525 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [2,0,0,0,0,0|1,0,0]=3 2526 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [2,0,0,0,0,0|1,0,0]=3 2527 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [2,0,0,0,0,0|1,0,0]=3 2528 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [2,0,0,0,0,0|2,0,0]=4 2529 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [2,0,0,0,0,0|1,0,0]=3 2530 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [2,0,0,0,0,0|1,0,0]=3 2531 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [2,0,0,0,0,0|1,0,0]=3 2532 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [2,0,0,0,0,0|1,0,0]=3 2533 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [2,0,0,0,0,0|1,0,0]=3 2534 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [2,0,0,0,0,0|1,0,0]=3 2535 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [2,0,0,0,0,0|0,0,0]=2 2536 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [2,0,0,0,0,0|0,0,0]=2 2537 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [2,0,0,0,0,0|0,0,0]=2 2538 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [2,0,0,0,0,0|0,0,0]=2 2539 B5R0.5 CC(N)C(C)O MCULE-3512899672 [2,0,0,0,0,0|1,0,1]=4 2540 B5R0.5 CC(N)C(C)O MCULE-6286987696 [2,0,0,0,0,0|1,0,1]=4 2541 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [2,0,0,0,0,0|2,0,0]=4 2542 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [2,0,0,0,0,0|2,0,0]=4 2543 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [2,0,0,0,0,0|1,0,0]=3 2544 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [2,0,0,0,0,0|1,0,0]=3 2545 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [2,0,0,0,0,0|1,0,1]=4 2546 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [2,0,0,0,0,0|1,0,1]=4 2547 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [2,0,0,0,0,0|1,0,1]=4 2548 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [2,0,0,0,0,0|2,0,0]=4 2549 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [2,0,0,0,0,0|1,0,0]=3 2550 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [2,0,0,0,0,0|2,0,0]=4 2551 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [2,0,0,0,0,0|2,0,0]=4 2552 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [2,0,0,0,0,0|1,0,0]=3 2553 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [2,0,0,0,0,0|1,0,0]=3 2554 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [2,0,0,0,0,0|2,0,0]=4 2555 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [2,0,0,0,0,0|1,0,0]=3 2556 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [2,0,0,0,0,0|1,0,0]=3 2557 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [2,0,0,0,0,0|2,0,0]=4 2558 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [2,0,0,0,0,0|1,0,0]=3 2559 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [2,0,0,0,0,0|1,0,0]=3 2560 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [2,0,0,0,0,0|1,0,0]=3 2561 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [2,0,0,0,0,0|1,0,0]=3 2562 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [2,0,0,0,0,0|0,0,0]=2 2563 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [2,0,0,0,0,0|0,0,0]=2 2564 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [2,0,0,0,0,0|1,0,1]=4 2565 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [2,0,0,0,0,0|1,0,1]=4 2566 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [2,0,0,0,0,0|1,0,1]=4 2567 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [2,0,0,0,0,0|1,0,1]=4 2568 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [2,0,0,0,0,0|1,0,1]=4 2569 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [2,0,0,0,0,0|2,0,0]=4 2570 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [2,0,0,0,0,0|2,0,0]=4 2571 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [2,0,0,0,0,0|1,0,0]=3 2572 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [2,0,0,0,0,0|1,0,0]=3 2573 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [2,0,0,0,0,0|1,0,1]=4 2574 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [2,0,0,0,0,0|1,0,1]=4 2575 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [2,0,0,0,0,0|1,0,1]=4 2576 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [2,0,0,0,0,0|2,0,0]=4 2577 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [2,0,0,0,0,0|1,0,0]=3 2578 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [2,0,0,0,0,0|1,0,0]=3 2579 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [2,0,0,0,0,0|1,0,0]=3 2580 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [2,0,0,0,0,0|1,0,0]=3 2581 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [2,0,0,0,0,0|2,0,0]=4 2582 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [2,0,0,0,0,0|1,0,0]=3 2583 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [2,0,0,0,0,0|1,0,0]=3 2584 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [2,0,0,0,0,0|1,0,0]=3 2585 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [2,0,0,0,0,0|1,0,0]=3 2586 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [2,0,0,0,0,0|1,0,0]=3 2587 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [2,0,0,0,0,0|1,0,0]=3 2588 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [2,0,0,0,0,0|1,0,0]=3 2589 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [2,0,0,0,0,0|1,0,0]=3 2590 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [2,0,0,0,0,0|0,0,0]=2 2591 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [2,0,0,0,0,0|0,0,0]=2 2592 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [2,0,0,0,0,0|0,0,0]=2 2593 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [2,0,0,0,0,0|0,0,0]=2 2594 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [2,0,0,0,0,0|1,0,1]=4 2595 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [2,0,0,0,0,0|1,0,1]=4 2596 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [2,0,0,0,0,0|1,0,1]=4 2597 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [2,0,0,0,0,0|1,0,1]=4 2598 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [2,0,0,0,0,0|1,0,1]=4 2599 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [2,0,0,0,0,0|1,0,1]=4 2600 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [2,0,0,0,0,0|2,0,0]=4 2601 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [2,0,0,0,0,0|1,0,0]=3 2602 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [2,0,0,0,0,0|1,0,0]=3 2603 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [2,0,0,0,0,0|1,0,1]=4 2604 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [2,0,0,0,0,0|1,0,1]=4 2605 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [2,0,0,0,0,0|1,0,1]=4 2606 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [2,0,0,0,0,0|1,0,1]=4 2607 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [2,0,0,0,0,0|1,0,1]=4 2608 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [2,0,0,0,0,0|1,0,1]=4 2609 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [2,0,0,0,0,0|1,0,1]=4 2610 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [2,0,0,0,0,0|1,0,1]=4 2611 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [2,0,0,0,0,0|1,0,1]=4 2612 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [2,0,0,0,0,0|1,0,1]=4 2613 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [2,0,0,0,0,0|1,0,0]=3 2614 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [2,0,0,0,0,0|2,0,0]=4 2615 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [2,0,0,0,0,0|2,0,0]=4 2616 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [2,0,0,0,0,0|2,0,0]=4 2617 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [2,0,0,0,0,0|2,0,0]=4 2618 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [2,0,0,0,0,0|2,0,0]=4 2619 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [2,0,0,0,0,0|2,0,0]=4 2620 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [2,0,0,0,0,0|2,0,0]=4 2621 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [2,0,0,0,0,0|2,0,0]=4 2622 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [2,0,0,0,0,0|2,0,0]=4 2623 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [2,0,0,0,0,0|2,0,0]=4 2624 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [2,0,0,0,0,0|2,0,0]=4 2625 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [1,1,0,0,0,0|0,0,2]=4 2626 B7R0.2 C=CC(C)CC(C)C MCULE-9111388336 [1,1,0,0,0,0|2,0,0]=4 2627 B7R0.2 C=CC(O)CC(C)C MCULE-7389371130 [1,1,0,0,0,0|2,0,0]=4 2628 B7R0.2 CC(C)C/C(=N/O)/N MCULE-1815154611 [1,1,0,0,0,0|1,0,1]=4 2629 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [1,1,0,0,0,0|1,0,0]=3 2630 B7R0.2 CC(C)CC(C)CO MCULE-5856507691 [1,1,0,0,0,0|1,0,1]=4 2631 B7R0.2 CC(C)CC(N)C#N MCULE-6709039264 [1,1,0,0,0,0|1,0,1]=4 2632 B7R0.2 CC(C)CC(N)C#N MCULE-7842524393 [1,1,0,0,0,0|1,0,1]=4 2633 B7R0.2 CC(C)CC(N)CF MCULE-3937400151 [1,1,0,0,0,0|1,0,1]=4 2634 B7R0.2 CC(C)CC(N)CF MCULE-7951827838 [1,1,0,0,0,0|1,0,1]=4 2635 B7R0.2 CC(C)CC(N)CN MCULE-3441513735 [1,1,0,0,0,0|1,0,1]=4 2636 B7R0.2 CC(C)CC(N)CO MCULE-6347344178 [1,1,0,0,0,0|0,0,1]=3 2637 B7R0.2 CC(C)CC(N)CO MCULE-7024759986 [1,1,0,0,0,0|0,0,1]=3 2638 B7R0.2 CC(C)CC(N)CS MCULE-8932651812 [1,1,0,0,0,0|0,1,1]=4 2639 B7R0.2 CC(C)C[C@@H](N)CBr MCULE-4869966214 [1,1,0,0,0,0|1,0,1]=4 2640 B7R0.2 CC(C)C[C@@H](N)CO MCULE-1979401982 [1,1,0,0,0,0|0,0,1]=3 2641 B7R0.2 CC(C)C[C@@H](N)CO MCULE-3025407298 [1,1,0,0,0,0|0,0,1]=3 2642 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [1,1,0,0,0,0|0,0,0]=2 2643 B7R0.2 CC(C)C[C@H](N)CBr MCULE-4224057266 [1,1,0,0,0,0|1,0,1]=4 2644 B7R0.2 CC(C)C[C@H](N)CO MCULE-2790872575 [1,1,0,0,0,0|0,0,1]=3 2645 B7R0.2 CC(C)C[C@H](N)CO MCULE-9198147139 [1,1,0,0,0,0|0,0,1]=3 2646 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [1,1,0,0,0,0|1,0,1]=4 2647 B7R0.2 CN(C)CC(N)CO MCULE-2789134862 [1,1,0,0,0,0|1,0,1]=4 2648 B7R0.2 CN(C)CC(N)CO MCULE-4090276677 [1,1,0,0,0,0|1,0,1]=4 2649 B7R0.2 NC(CO)CC(F)F MCULE-5033329865 [1,1,0,0,0,0|1,0,1]=4 2650 B7R0.2 NC(CO)CC(F)F MCULE-6986507912 [1,1,0,0,0,0|1,0,1]=4 2651 B7R0.3 C#CCC[C@@H](N)CO MCULE-6761945465 [1,1,0,0,0,0|0,0,2]=4 2652 B7R0.3 C#CCC[C@@H](N)CO MCULE-9589288760 [1,1,0,0,0,0|0,0,2]=4 2653 B7R0.3 C#CCC[C@H](N)CO MCULE-5308019604 [1,1,0,0,0,0|0,0,2]=4 2654 B7R0.3 C#CCC[C@H](N)CO MCULE-7191637286 [1,1,0,0,0,0|0,0,2]=4 2655 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,1,0,0,0,0|1,0,1]=4 2656 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [1,1,0,0,0,0|2,0,0]=4 2657 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [1,1,0,0,0,0|0,0,2]=4 2658 B7R0.3 CC#CCC(N)CO MCULE-1082443924 [1,1,0,0,0,0|0,0,2]=4 2659 B7R0.3 CC(C=O)CCC#N MCULE-6355316754 [1,1,0,0,0,0|1,0,1]=4 2660 B7R0.3 CC(CO)CCCO MCULE-8589885622 [1,1,0,0,0,0|1,0,1]=4 2661 B7R0.3 CCC(N)CCCO MCULE-3868205501 [1,1,0,0,0,0|1,0,1]=4 2662 B7R0.3 CCC(N)CCOC MCULE-8279767210 [1,1,0,0,0,0|1,0,1]=4 2663 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [1,1,0,0,0,0|1,0,1]=4 2664 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [1,1,0,0,0,0|1,0,0]=3 2665 B7R0.3 CCCCC(N)CC MCULE-1353863738 [1,1,0,0,0,0|1,0,1]=4 2666 B7R0.3 CCCCC(N)CC MCULE-9870475040 [1,1,0,0,0,0|1,0,1]=4 2667 B7R0.3 CCCCC(N)CN MCULE-2038464943 [1,1,0,0,0,0|1,0,1]=4 2668 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,1,0,0,0,0|0,0,1]=3 2669 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,1,0,0,0,0|0,0,1]=3 2670 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,1,0,0,0,0|0,0,1]=3 2671 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,1,0,0,0,0|0,0,1]=3 2672 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,1,0,0,0,0|1,0,1]=4 2673 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,1,0,0,0,0|0,0,1]=3 2674 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,1,0,0,0,0|0,0,1]=3 2675 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,1,0,0,0,0|0,0,1]=3 2676 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,1,0,0,0,0|0,0,1]=3 2677 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [1,1,0,0,0,0|1,0,0]=3 2678 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,1,0,0,0,0|0,0,1]=3 2679 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,1,0,0,0,0|0,0,1]=3 2680 B7R0.3 CCCNC(C)CO MCULE-6575712324 [1,1,0,0,0,0|1,0,1]=4 2681 B7R0.3 CCNCC(N)NC MCULE-1380874674 [1,1,0,0,0,0|2,0,0]=4 2682 B7R0.3 CCOCC(C)CO MCULE-6831759423 [1,1,0,0,0,0|1,0,1]=4 2683 B7R0.3 CCOCC(N)CC MCULE-2793834769 [1,1,0,0,0,0|1,0,1]=4 2684 B7R0.3 CCOCC(N)CC MCULE-5142543434 [1,1,0,0,0,0|1,0,1]=4 2685 B7R0.3 CCOCC(N)CO MCULE-8546500751 [1,1,0,0,0,0|0,0,1]=3 2686 B7R0.3 CCOCC(O)CO MCULE-2728952355 [1,1,0,0,0,0|1,0,1]=4 2687 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [1,1,0,0,0,0|1,0,1]=4 2688 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [1,1,0,0,0,0|1,0,1]=4 2689 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [1,1,0,0,0,0|1,0,1]=4 2690 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [1,1,0,0,0,0|1,0,1]=4 2691 B7R0.3 COCCC(N)CO MCULE-9758817920 [1,1,0,0,0,0|0,0,1]=3 2692 B7R0.3 CSCCC(N)CO MCULE-1688371230 [1,1,0,0,0,0|0,0,1]=3 2693 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [1,1,0,0,0,0|0,0,1]=3 2694 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [1,1,0,0,0,0|0,0,1]=3 2695 B7R0.3 CSCC[C@H](N)CN MCULE-6460179286 [1,1,0,0,0,0|1,0,1]=4 2696 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [1,1,0,0,0,0|0,0,1]=3 2697 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [1,1,0,0,0,0|0,0,1]=3 2698 B7R0.3 OCCCC(O)CO MCULE-3529953491 [1,1,0,0,0,0|1,0,1]=4 2699 B7R0.7 C=CCC(N)COC MCULE-6306522587 [1,1,0,0,0,0|2,0,0]=4 2700 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [1,1,0,0,0,0|2,0,0]=4 2701 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [1,1,0,0,0,0|2,0,0]=4 2702 B7R0.7 CCCC(C)CCO MCULE-6887128167 [1,1,0,0,0,0|1,0,1]=4 2703 B7R0.7 CCCC(C)N=C=O MCULE-9843542105 [1,1,0,0,0,0|1,0,1]=4 2704 B7R0.7 CCCC(N)CCC MCULE-1003038397 [1,1,0,0,0,0|1,0,1]=4 2705 B7R0.7 CCCC(N)CCC MCULE-3454953409 [1,1,0,0,0,0|1,0,1]=4 2706 B7R0.7 CCCC(N)CCO MCULE-3641094890 [1,1,0,0,0,0|0,0,1]=3 2707 B7R0.7 CCCC(N)CCO MCULE-5323991138 [1,1,0,0,0,0|0,0,1]=3 2708 B7R0.7 CCCC(N)CCO MCULE-6597027417 [1,1,0,0,0,0|0,0,1]=3 2709 B7R0.7 CCCC(N)CCO MCULE-8093709628 [1,1,0,0,0,0|0,0,1]=3 2710 B7R0.7 CCCC(O)CCO MCULE-6957178966 [1,1,0,0,0,0|1,0,1]=4 2711 B7R0.7 CCCC(S)CCO MCULE-7972451905 [1,1,0,0,0,0|1,0,1]=4 2712 B7R0.7 CCC[C@@H](N)CCO MCULE-1862127512 [1,1,0,0,0,0|0,0,1]=3 2713 B7R0.7 CCC[C@@H](N)CCO MCULE-3031366486 [1,1,0,0,0,0|0,0,1]=3 2714 B7R0.7 CCC[C@@H](N)CCO MCULE-4433535200 [1,1,0,0,0,0|0,0,1]=3 2715 B7R0.7 CCC[C@@H](N)CCO MCULE-8325506694 [1,1,0,0,0,0|0,0,1]=3 2716 B7R0.7 CCC[C@H](N)CCO MCULE-3164100995 [1,1,0,0,0,0|0,0,1]=3 2717 B7R0.7 CCC[C@H](N)CCO MCULE-3262978007 [1,1,0,0,0,0|0,0,1]=3 2718 B7R0.7 CCC[C@H](N)CCO MCULE-3382311889 [1,1,0,0,0,0|0,0,1]=3 2719 B7R0.7 CCC[C@H](N)CCO MCULE-4865013919 [1,1,0,0,0,0|0,0,1]=3 2720 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [1,1,0,0,0,0|2,0,0]=4 2721 B7R0.7 COCC(N)CCO MCULE-2569422233 [1,1,0,0,0,0|1,0,1]=4 2722 B7R0.7 COCC(N)COC MCULE-3531117264 [1,1,0,0,0,0|1,0,1]=4 2723 B7R0.7 COCC(N)COC MCULE-3609597955 [1,1,0,0,0,0|1,0,1]=4 2724 B7R0.7 CSCC(N)CCO MCULE-2899374338 [1,1,0,0,0,0|1,0,1]=4 2725 B7R0.10 C#CC(N)C(C)CC MCULE-4599913336 [1,1,0,0,0,0|1,0,1]=4 2726 B7R0.10 C#CC(N)C(C)CC MCULE-6841022785 [1,1,0,0,0,0|1,0,1]=4 2727 B7R0.10 C=CC(C)C(C)CC MCULE-2366850706 [1,1,0,0,0,0|2,0,0]=4 2728 B7R0.10 CC(CN)C(N)CO MCULE-1520376315 [1,1,0,0,0,0|1,0,1]=4 2729 B7R0.10 CC(CN)[C@H](N)CO MCULE-9250442888 [1,1,0,0,0,0|1,0,1]=4 2730 B7R0.10 CCC(C)/C(=N/O)/N MCULE-3220820796 [1,1,0,0,0,0|1,0,1]=4 2731 B7R0.10 CCC(C)/C(=N/O)/N MCULE-6860766298 [1,1,0,0,0,0|1,0,1]=4 2732 B7R0.10 CCC(C)C(N)C#N MCULE-4516295423 [1,1,0,0,0,0|1,0,1]=4 2733 B7R0.10 CCC(C)C(N)C#N MCULE-9668149479 [1,1,0,0,0,0|1,0,1]=4 2734 B7R0.10 CCC(C)C(N)CO MCULE-3990781918 [1,1,0,0,0,0|0,0,1]=3 2735 B7R0.10 CCC(C)C(N)CO MCULE-9261445768 [1,1,0,0,0,0|0,0,1]=3 2736 B7R0.10 CCC(C)C(O)CO MCULE-9999862073 [1,1,0,0,0,0|1,0,1]=4 2737 B7R0.10 CCC(C)[C@H](N)C#N MCULE-7403677699 [1,1,0,0,0,0|1,0,1]=4 2738 B7R0.10 CCC(C)[C@H](N)C#N MCULE-7724941860 [1,1,0,0,0,0|1,0,1]=4 2739 B7R0.10 CCC(C)[C@H](N)C#N MCULE-8975526389 [1,1,0,0,0,0|1,0,1]=4 2740 B7R0.10 CCC(C)[C@H](N)C#N MCULE-9352431409 [1,1,0,0,0,0|1,0,1]=4 2741 B7R0.10 CCC(N)C(O)CC MCULE-3578258801 [1,1,0,0,0,0|1,0,1]=4 2742 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [1,1,0,0,0,0|1,0,1]=4 2743 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [1,1,0,0,0,0|1,0,1]=4 2744 B7R0.10 CCC(S)C(C)CO MCULE-1500370684 [1,1,0,0,0,0|1,0,1]=4 2745 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-2122638055 [1,1,0,0,0,0|0,0,1]=3 2746 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-7964651759 [1,1,0,0,0,0|0,0,1]=3 2747 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-8482653298 [1,1,0,0,0,0|0,0,1]=3 2748 B7R0.10 CC[C@H](C)[C@H](N)CF MCULE-3409941550 [1,1,0,0,0,0|1,0,1]=4 2749 B7R0.10 CC[C@H](C)[C@H](N)CF MCULE-9750756690 [1,1,0,0,0,0|1,0,1]=4 2750 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-3647332227 [1,1,0,0,0,0|0,0,1]=3 2751 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-5774547825 [1,1,0,0,0,0|0,0,1]=3 2752 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8401203397 [1,1,0,0,0,0|0,0,1]=3 2753 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8452836661 [1,1,0,0,0,0|0,0,1]=3 2754 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-9307589673 [1,1,0,0,0,0|0,0,1]=3 2755 B7R0.10 N[C@@H](CO)[C@@H](N)CO MCULE-2394488011 [1,1,0,0,0,0|1,0,1]=4 2756 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [1,1,0,0,0,0|2,0,0]=4 2757 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [1,1,0,0,0,0|2,0,0]=4 2758 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [1,1,0,0,0,0|2,0,0]=4 2759 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [1,1,0,0,0,0|2,0,0]=4 2760 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [1,1,0,0,0,0|2,0,0]=4 2761 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [1,1,0,0,0,0|2,0,0]=4 2762 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [1,1,0,0,0,0|2,0,0]=4 2763 B7R0.10 [C@@H](C)(CC)[C@@H](N)CO MCULE-4423825378 [1,1,0,0,0,0|0,0,1]=3 2764 B7R0.11 C=CC(C)(C)CCC MCULE-7100135827 [1,1,0,0,0,0|2,0,0]=4 2765 B7R0.11 CC(N)(CO)CCF MCULE-5569472665 [1,1,0,0,0,0|1,0,1]=4 2766 B7R0.11 CCCC(C)(C)C=O MCULE-1675435662 [1,1,0,0,0,0|1,0,0]=3 2767 B7R0.11 CCCC(C)(N)C#N MCULE-6266398743 [1,1,0,0,0,0|1,0,1]=4 2768 B7R0.11 CCCC(C)(N)CN MCULE-3215432035 [1,1,0,0,0,0|1,0,1]=4 2769 B7R0.11 CCCC(C)(N)CO MCULE-9180767555 [1,1,0,0,0,0|0,0,1]=3 2770 B7R0.11 CCCC(C)(O)CO MCULE-3737630396 [1,1,0,0,0,0|1,0,1]=4 2771 B7R0.11 CCOC(C)(C)C=O MCULE-7101941149 [1,1,0,0,0,0|2,0,0]=4 2772 B7R0.11 COCC(C)(C)C=O MCULE-9091298674 [1,1,0,0,0,0|2,0,0]=4 2773 B7R0.11 COCC(C)(N)CO MCULE-2603485329 [1,1,0,0,0,0|1,0,1]=4 2774 B7R0.11 COCC(C)(N)CO MCULE-3416999559 [1,1,0,0,0,0|1,0,1]=4 2775 B7R0.12 CCCC(C#N)NC MCULE-1865924335 [1,1,0,0,0,0|1,0,1]=4 2776 B7R0.12 CCCC(C#N)NC MCULE-4445984378 [1,1,0,0,0,0|1,0,1]=4 2777 B7R0.12 CCCC(CN)OC MCULE-6456891707 [1,1,0,0,0,0|2,0,0]=4 2778 B7R0.12 CCCC(CO)CO MCULE-2372919180 [1,1,0,0,0,0|1,0,1]=4 2779 B7R0.12 CCCC(CO)OC MCULE-9427398002 [1,1,0,0,0,0|1,0,1]=4 2780 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [1,1,0,0,0,0|0,0,2]=4 2781 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [1,1,0,0,0,0|2,0,0]=4 2782 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [1,1,0,0,0,0|2,0,0]=4 2783 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [1,1,0,0,0,0|2,0,0]=4 2784 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [1,1,0,0,0,0|2,0,0]=4 2785 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [1,1,0,0,0,0|2,0,0]=4 2786 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [1,1,0,0,0,0|2,0,0]=4 2787 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [1,1,0,0,0,0|2,0,0]=4 2788 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [1,1,0,0,0,0|2,0,0]=4 2789 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [1,1,0,0,0,0|1,0,0]=3 2790 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [1,1,0,0,0,0|1,0,0]=3 2791 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [1,1,0,0,0,0|1,0,0]=3 2792 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [1,1,0,0,0,0|1,0,0]=3 2793 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [1,1,0,0,0,0|2,0,0]=4 2794 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [1,1,0,0,0,0|2,0,0]=4 2795 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [1,1,0,0,0,0|2,0,0]=4 2796 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [1,1,0,0,0,0|2,0,0]=4 2797 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [1,1,0,0,0,0|1,0,0]=3 2798 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [1,1,0,0,0,0|2,0,0]=4 2799 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [1,1,0,0,0,0|2,0,0]=4 2800 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [1,1,0,0,0,0|1,0,0]=3 2801 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [1,1,0,0,0,0|1,0,0]=3 2802 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [1,1,0,0,0,0|0,0,0]=2 2803 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [1,1,0,0,0,0|0,0,0]=2 2804 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [1,1,0,0,0,0|0,0,0]=2 2805 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [1,1,0,0,0,0|2,0,0]=4 2806 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [1,1,0,0,0,0|2,0,0]=4 2807 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [1,1,0,0,0,0|2,0,0]=4 2808 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [1,1,0,0,0,0|1,0,0]=3 2809 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [1,1,0,0,0,0|1,0,0]=3 2810 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [1,1,0,0,0,0|1,0,0]=3 2811 B7R0.13 CCC(F)(F)C(=O)[O-] MCULE-3572838764 [1,1,0,0,0,0|1,0,1]=4 2812 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [1,1,0,0,0,0|0,0,0]=2 2813 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [1,1,0,0,0,0|0,0,0]=2 2814 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [1,1,0,0,0,0|0,0,0]=2 2815 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [1,1,0,0,0,0|0,0,0]=2 2816 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [1,1,0,0,0,0|0,0,0]=2 2817 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [1,1,0,0,0,0|0,0,0]=2 2818 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [1,1,0,0,0,0|0,0,0]=2 2819 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [1,1,0,0,0,0|0,0,0]=2 2820 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [1,1,0,0,0,0|1,0,0]=3 2821 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [1,1,0,0,0,0|2,0,0]=4 2822 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [1,1,0,0,0,0|2,0,0]=4 2823 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [1,1,0,0,0,0|2,0,0]=4 2824 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [1,1,0,0,0,0|2,0,0]=4 2825 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [1,1,0,0,0,0|1,0,0]=3 2826 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [1,1,0,0,0,0|1,0,0]=3 2827 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [1,1,0,0,0,0|1,0,0]=3 2828 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [1,1,0,0,0,0|1,0,0]=3 2829 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [1,1,0,0,0,0|1,0,0]=3 2830 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [1,1,0,0,0,0|1,0,0]=3 2831 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [1,1,0,0,0,0|2,0,0]=4 2832 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [1,1,0,0,0,0|2,0,0]=4 2833 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [1,1,0,0,0,0|1,0,0]=3 2834 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [1,1,0,0,0,0|1,0,0]=3 2835 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [1,1,0,0,0,0|1,0,0]=3 2836 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [1,1,0,0,0,0|1,0,0]=3 2837 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [1,1,0,0,0,0|1,0,0]=3 2838 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [1,1,0,0,0,0|1,0,0]=3 2839 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [1,1,0,0,0,0|2,0,0]=4 2840 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [1,1,0,0,0,0|2,0,0]=4 2841 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [1,1,0,0,0,0|2,0,0]=4 2842 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [1,1,0,0,0,0|2,0,0]=4 2843 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [1,1,0,0,0,0|2,0,0]=4 2844 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [1,1,0,0,0,0|2,0,0]=4 2845 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [1,1,0,0,0,0|2,0,0]=4 2846 B7R0.14 CCC(N)C(C)(C)O MCULE-2452246439 [1,1,0,0,0,0|1,0,1]=4 2847 B7R0.14 CCC(N)C(C)(C)O MCULE-3686970762 [1,1,0,0,0,0|1,0,1]=4 2848 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [1,1,0,0,0,0|1,0,0]=3 2849 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [1,1,0,0,0,0|2,0,0]=4 2850 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-2250873384 [1,1,0,0,0,0|1,0,1]=4 2851 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-7069208023 [1,1,0,0,0,0|1,0,1]=4 2852 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-6344226071 [1,1,0,0,0,0|1,0,1]=4 2853 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-7677944024 [1,1,0,0,0,0|1,0,1]=4 2854 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [1,1,0,0,0,0|2,0,0]=4 2855 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [1,1,0,0,0,0|1,0,1]=4 2856 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [1,1,0,0,0,0|0,0,1]=3 2857 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [1,1,0,0,0,0|2,0,0]=4 2858 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [1,1,0,0,0,0|2,0,0]=4 2859 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [1,1,0,0,0,0|2,0,0]=4 2860 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [1,1,0,0,0,0|1,0,0]=3 2861 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [1,1,0,0,0,0|0,0,0]=2 2862 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [1,1,0,0,0,0|0,0,0]=2 2863 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [1,1,0,0,0,0|1,0,0]=3 2864 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [1,1,0,0,0,0|1,0,1]=4 2865 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [1,1,0,0,0,0|1,0,0]=3 2866 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [1,1,0,0,0,0|1,0,0]=3 2867 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [1,1,0,0,0,0|0,0,0]=2 2868 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [1,1,0,0,0,0|0,0,0]=2 2869 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [1,1,0,0,0,0|0,0,0]=2 2870 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [1,1,0,0,0,0|0,0,0]=2 2871 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [1,1,0,0,0,0|2,0,0]=4 2872 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [1,1,0,0,0,0|1,0,0]=3 2873 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [1,1,0,0,0,0|1,0,0]=3 2874 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [1,1,0,0,0,0|0,0,0]=2 2875 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [1,1,0,0,0,0|0,0,0]=2 2876 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [1,1,0,0,0,0|0,0,0]=2 2877 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [1,1,0,0,0,0|0,0,0]=2 2878 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [1,1,0,0,0,0|0,0,0]=2 2879 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [1,1,0,0,0,0|1,0,0]=3 2880 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [1,1,0,0,0,0|1,0,0]=3 2881 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [1,1,0,0,0,0|1,0,0]=3 2882 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [1,1,0,0,0,0|1,0,0]=3 2883 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [1,1,0,0,0,0|1,0,0]=3 2884 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [1,1,0,0,0,0|2,0,0]=4 2885 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [1,1,0,0,0,0|1,0,0]=3 2886 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [1,1,0,0,0,0|1,0,0]=3 2887 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [1,1,0,0,0,0|1,0,0]=3 2888 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [1,1,0,0,0,0|1,0,0]=3 2889 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [1,1,0,0,0,0|1,0,0]=3 2890 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [1,1,0,0,0,0|1,0,0]=3 2891 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [1,1,0,0,0,0|1,0,0]=3 2892 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [1,1,0,0,0,0|1,0,0]=3 2893 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [1,1,0,0,0,0|1,0,0]=3 2894 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [1,1,0,0,0,0|1,0,0]=3 2895 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [1,1,0,0,0,0|1,0,0]=3 2896 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [1,1,0,0,0,0|1,0,0]=3 2897 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [1,1,0,0,0,0|1,0,0]=3 2898 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [1,1,0,0,0,0|1,0,0]=3 2899 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [1,1,0,0,0,0|2,0,0]=4 2900 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [1,1,0,0,0,0|2,0,0]=4 2901 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [1,1,0,0,0,0|1,0,0]=3 2902 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [1,1,0,0,0,0|1,0,0]=3 2903 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [1,1,0,0,0,0|2,0,0]=4 2904 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [1,1,0,0,0,0|1,0,0]=3 2905 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [1,1,0,0,0,0|1,0,0]=3 2906 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [1,1,0,0,0,0|1,0,1]=4 2907 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [1,1,0,0,0,0|1,0,0]=3 2908 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [1,1,0,0,0,0|1,0,0]=3 2909 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [1,1,0,0,0,0|1,0,0]=3 2910 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [1,1,0,0,0,0|1,0,0]=3 2911 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [1,1,0,0,0,0|1,0,0]=3 2912 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [1,1,0,0,0,0|2,0,0]=4 2913 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [1,1,0,0,0,0|2,0,0]=4 2914 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [1,1,0,0,0,0|1,0,0]=3 2915 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [1,1,0,0,0,0|1,0,1]=4 2916 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [1,1,0,0,0,0|0,0,1]=3 2917 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [1,1,0,0,0,0|0,0,1]=3 2918 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [1,1,0,0,0,0|0,0,1]=3 2919 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [1,1,0,0,0,0|0,0,1]=3 2920 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [1,1,0,0,0,0|1,0,1]=4 2921 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [1,1,0,0,0,0|0,0,1]=3 2922 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [1,1,0,0,0,0|0,0,1]=3 2923 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [1,1,0,0,0,0|0,0,1]=3 2924 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [1,1,0,0,0,0|0,0,1]=3 2925 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [1,1,0,0,0,0|2,0,0]=4 2926 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [1,1,0,0,0,0|2,0,0]=4 2927 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [1,1,0,0,0,0|1,0,1]=4 2928 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [1,1,0,0,0,0|1,0,1]=4 2929 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [1,1,0,0,0,0|1,0,0]=3 2930 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [1,1,0,0,0,0|1,0,0]=3 2931 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [1,1,0,0,0,0|2,0,0]=4 2932 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [1,1,0,0,0,0|2,0,0]=4 2933 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [1,1,0,0,0,0|2,0,0]=4 2934 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [1,1,0,0,0,0|1,0,1]=4 2935 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [1,1,0,0,0,0|2,0,0]=4 2936 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [1,1,0,0,0,0|2,0,0]=4 2937 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [1,1,0,0,0,0|2,0,0]=4 2938 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [1,1,0,0,0,0|1,0,0]=3 2939 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [1,1,0,0,0,0|1,0,0]=3 2940 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [1,1,0,0,0,0|2,0,0]=4 2941 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [1,1,0,0,0,0|1,0,0]=3 2942 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [1,1,0,0,0,0|2,0,0]=4 2943 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [1,1,0,0,0,0|1,0,0]=3 2944 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [1,1,0,0,0,0|1,0,0]=3 2945 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [1,1,0,0,0,0|1,0,0]=3 2946 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [1,1,0,0,0,0|1,0,0]=3 2947 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [1,1,0,0,0,0|0,0,0]=2 2948 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [1,1,0,0,0,0|0,0,0]=2 2949 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [1,1,0,0,0,0|1,0,0]=3 2950 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [1,1,0,0,0,0|1,0,0]=3 2951 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [1,1,0,0,0,0|1,0,0]=3 2952 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [1,1,0,0,0,0|1,0,0]=3 2953 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [1,1,0,0,0,0|1,0,0]=3 2954 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [1,1,0,0,0,0|1,0,0]=3 2955 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [1,1,0,0,0,0|1,0,0]=3 2956 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [1,1,0,0,0,0|1,0,0]=3 2957 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [1,1,0,0,0,0|0,0,0]=2 2958 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [1,1,0,0,0,0|0,0,0]=2 2959 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [1,1,0,0,0,0|1,0,0]=3 2960 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [1,1,0,0,0,0|1,0,0]=3 2961 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [1,1,0,0,0,0|1,0,0]=3 2962 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [1,1,0,0,0,0|1,0,0]=3 2963 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [1,1,0,0,0,0|1,0,0]=3 2964 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [1,1,0,0,0,0|1,0,0]=3 2965 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [1,1,0,0,0,0|1,0,0]=3 2966 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [1,1,0,0,0,0|1,0,0]=3 2967 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [1,1,0,0,0,0|1,0,0]=3 2968 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [1,1,0,0,0,0|1,0,0]=3 2969 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [1,1,0,0,0,0|1,0,0]=3 2970 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [1,1,0,0,0,0|1,0,0]=3 2971 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [1,1,0,0,0,0|1,0,0]=3 2972 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [1,1,0,0,0,0|1,0,0]=3 2973 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [1,1,0,0,0,0|0,0,0]=2 2974 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [1,1,0,0,0,0|0,0,0]=2 2975 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [1,1,0,0,0,0|1,0,0]=3 2976 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [1,1,0,0,0,0|1,0,0]=3 2977 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [1,1,0,0,0,0|0,0,0]=2 2978 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [1,1,0,0,0,0|1,0,0]=3 2979 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [1,1,0,0,0,0|1,0,0]=3 2980 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [1,1,0,0,0,0|1,0,0]=3 2981 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [1,1,0,0,0,0|1,0,0]=3 2982 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [1,1,0,0,0,0|1,0,0]=3 2983 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [1,1,0,0,0,0|1,0,0]=3 2984 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [1,1,0,0,0,0|1,0,0]=3 2985 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [1,1,0,0,0,0|0,0,0]=2 2986 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [1,1,0,0,0,0|0,0,0]=2 2987 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [1,1,0,0,0,0|2,0,0]=4 2988 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [1,1,0,0,0,0|2,0,0]=4 2989 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [1,1,0,0,0,0|2,0,0]=4 2990 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [1,1,0,0,0,0|0,0,0]=2 2991 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [1,1,0,0,0,0|0,0,0]=2 2992 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [1,1,0,0,0,0|0,0,0]=2 2993 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [1,1,0,0,0,0|0,0,0]=2 2994 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [1,1,0,0,0,0|0,0,0]=2 2995 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [1,1,0,0,0,0|1,0,0]=3 2996 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [1,1,0,0,0,0|1,0,0]=3 2997 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [1,1,0,0,0,0|1,0,0]=3 2998 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [1,1,0,0,0,0|1,0,0]=3 2999 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [1,1,0,0,0,0|1,0,0]=3 3000 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [1,1,0,0,0,0|1,0,0]=3 3001 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [1,1,0,0,0,0|0,0,0]=2 3002 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [1,1,0,0,0,0|0,0,0]=2 3003 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [1,1,0,0,0,0|0,0,0]=2 3004 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [1,1,0,0,0,0|0,0,0]=2 3005 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [1,1,0,0,0,0|0,0,0]=2 3006 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [1,1,0,0,0,0|1,0,0]=3 3007 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [1,1,0,0,0,0|2,0,0]=4 3008 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [1,1,0,0,0,0|2,0,0]=4 3009 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [1,1,0,0,0,0|1,0,0]=3 3010 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [1,1,0,0,0,0|1,0,0]=3 3011 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [1,1,0,0,0,0|1,0,0]=3 3012 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [1,1,0,0,0,0|0,0,0]=2 3013 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [1,1,0,0,0,0|1,0,0]=3 3014 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [1,1,0,0,0,0|1,0,0]=3 3015 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [1,1,0,0,0,0|0,0,0]=2 3016 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [1,1,0,0,0,0|0,0,0]=2 3017 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [1,1,0,0,0,0|0,0,0]=2 3018 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [1,1,0,0,0,0|0,0,0]=2 3019 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [1,1,0,0,0,0|0,0,0]=2 3020 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [1,1,0,0,0,0|0,0,0]=2 3021 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [1,1,0,0,0,0|0,0,0]=2 3022 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [1,1,0,0,0,0|1,0,1]=4 3023 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [1,1,0,0,0,0|2,0,0]=4 3024 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,1,0,0,0,0|1,0,1]=4 3025 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [1,1,0,0,0,0|1,0,1]=4 3026 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,1,0,0,0,0|1,0,1]=4 3027 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,1,0,0,0,0|0,0,1]=3 3028 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,1,0,0,0,0|0,0,2]=4 3029 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,1,0,0,0,0|0,0,2]=4 3030 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,1,0,0,0,0|0,0,2]=4 3031 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,1,0,0,0,0|0,0,2]=4 3032 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,1,0,0,0,0|0,0,1]=3 3033 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|0,0,1]=3 3034 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [1,1,0,0,0,0|2,0,0]=4 3035 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [1,1,0,0,0,0|2,0,0]=4 3036 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [1,1,0,0,0,0|2,0,0]=4 3037 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,1,0,0,0,0|0,0,2]=4 3038 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,1,0,0,0,0|1,0,1]=4 3039 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|0,0,1]=3 3040 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,1,0,0,0,0|0,0,2]=4 3041 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,1,0,0,0,0|0,0,2]=4 3042 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,1,0,0,0,0|0,0,2]=4 3043 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,1,0,0,0,0|0,0,2]=4 3044 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,1,0,0,0,0|0,0,1]=3 3045 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,1,0,0,0,0|1,0,1]=4 3046 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,1,0,0,0,0|1,0,0]=3 3047 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,1,0,0,0,0|1,0,0]=3 3048 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,1,0,0,0,0|1,0,0]=3 3049 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [1,1,0,0,0,0|2,0,0]=4 3050 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [1,1,0,0,0,0|2,0,0]=4 3051 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [1,1,0,0,0,0|2,0,0]=4 3052 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,1,0,0,0,0|2,0,0]=4 3053 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,1,0,0,0,0|2,0,0]=4 3054 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,1,0,0,0,0|2,0,0]=4 3055 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [1,1,0,0,0,0|2,0,0]=4 3056 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [1,1,0,0,0,0|2,0,0]=4 3057 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [1,1,0,0,0,0|2,0,0]=4 3058 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,1,0,0,0,0|2,0,0]=4 3059 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [1,1,0,0,0,0|2,0,0]=4 3060 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [1,1,0,0,0,0|2,0,0]=4 3061 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [1,1,0,0,0,0|2,0,0]=4 3062 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,1,0,0,0,0|2,0,0]=4 3063 B7R0.4 CC(O)CCCCO MCULE-3790969400 [1,1,0,0,0,0|1,0,1]=4 3064 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|0,0,1]=3 3065 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [1,1,0,0,0,0|1,0,1]=4 3066 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|0,0,1]=3 3067 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,1,0,0,0,0|0,0,1]=3 3068 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [1,1,0,0,0,0|1,0,1]=4 3069 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [1,1,0,0,0,0|1,0,1]=4 3070 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,1,0,0,0,0|0,0,1]=3 3071 B7R0.4 CCCCCB(O)O MCULE-3441747739 [1,1,0,0,0,0|1,0,1]=4 3072 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [1,1,0,0,0,0|2,0,0]=4 3073 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [1,1,0,0,0,0|2,0,0]=4 3074 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,1,0,0,0,0|1,0,0]=3 3075 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,1,0,0,0,0|1,0,0]=3 3076 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,1,0,0,0,0|1,0,0]=3 3077 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,1,0,0,0,0|0,0,0]=2 3078 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,1,0,0,0,0|0,0,1]=3 3079 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,1,0,0,0,0|0,0,1]=3 3080 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [1,1,0,0,0,0|1,1,0]=4 3081 B7R0.4 CCCCCC(C)O MCULE-2463855771 [1,1,0,0,0,0|1,0,1]=4 3082 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [1,1,0,0,0,0|1,0,1]=4 3083 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [1,1,0,0,0,0|1,0,1]=4 3084 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [1,1,0,0,0,0|1,0,1]=4 3085 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [1,1,0,0,0,0|1,0,1]=4 3086 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [1,1,0,0,0,0|1,0,1]=4 3087 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [1,1,0,0,0,0|2,0,0]=4 3088 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [1,1,0,0,0,0|2,0,0]=4 3089 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,1,0,0,0,0|1,0,0]=3 3090 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,1,0,0,0,0|1,0,0]=3 3091 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,1,0,0,0,0|1,0,0]=3 3092 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [1,1,0,0,0,0|1,1,0]=4 3093 B7R0.4 CCCCNN(=O)=O MCULE-2055512271 [1,1,0,0,0,0|1,0,1]=4 3094 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,1,0,0,0,0|1,0,0]=3 3095 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,1,0,0,0,0|1,0,0]=3 3096 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,1,0,0,0,0|1,0,0]=3 3097 B7R0.4 CCCCOC(=S)[S-] MCULE-2197583773 [1,1,0,0,0,0|0,2,0]=4 3098 B7R0.4 CCCCOC(=S)[S-] MCULE-3219674247 [1,1,0,0,0,0|0,2,0]=4 3099 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [1,1,0,0,0,0|1,0,1]=4 3100 B7R0.4 CCCCSC(=N)N MCULE-1202813594 [1,1,0,0,0,0|2,0,0]=4 3101 B7R0.4 CCCCSC(=N)N MCULE-6798856505 [1,1,0,0,0,0|2,0,0]=4 3102 B7R0.4 CCCCSC(=N)N MCULE-8701506154 [1,1,0,0,0,0|2,0,0]=4 3103 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,1,0,0,0,0|1,0,0]=3 3104 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,1,0,0,0,0|1,0,0]=3 3105 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,1,0,0,0,0|1,0,0]=3 3106 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,1,0,0,0,0|1,0,0]=3 3107 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,1,0,0,0,0|0,0,0]=2 3108 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,1,0,0,0,0|0,0,0]=2 3109 B7R0.4 CCCNCC(C)O MCULE-8110237473 [1,1,0,0,0,0|1,0,1]=4 3110 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,1,0,0,0,0|0,0,0]=2 3111 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [1,1,0,0,0,0|1,1,0]=4 3112 B7R0.4 CCCOCC(C)O MCULE-9214840563 [1,1,0,0,0,0|1,0,1]=4 3113 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,1,0,0,0,0|1,0,0]=3 3114 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,1,0,0,0,0|0,0,0]=2 3115 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,1,0,0,0,0|1,0,0]=3 3116 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,1,0,0,0,0|1,0,0]=3 3117 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,1,0,0,0,0|0,0,0]=2 3118 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,1,0,0,0,0|0,0,0]=2 3119 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [1,1,0,0,0,0|0,0,2]=4 3120 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [1,1,0,0,0,0|0,0,2]=4 3121 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [1,1,0,0,0,0|2,0,0]=4 3122 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [1,1,0,0,0,0|2,0,0]=4 3123 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,1,0,0,0,0|1,0,0]=3 3124 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,1,0,0,0,0|1,0,0]=3 3125 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,1,0,0,0,0|0,0,0]=2 3126 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [1,1,0,0,0,0|2,0,0]=4 3127 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,1,0,0,0,0|0,0,0]=2 3128 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,1,0,0,0,0|1,0,0]=3 3129 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,1,0,0,0,0|1,0,0]=3 3130 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,1,0,0,0,0|0,0,0]=2 3131 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,1,0,0,0,0|0,0,0]=2 3132 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,1,0,0,0,0|2,0,0]=4 3133 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,1,0,0,0,0|2,0,0]=4 3134 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [1,1,0,0,0,0|2,0,0]=4 3135 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [1,1,0,0,0,0|2,0,0]=4 3136 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,1,0,0,0,0|0,0,2]=4 3137 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [1,1,0,0,0,0|0,0,2]=4 3138 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,1,0,0,0,0|0,0,2]=4 3139 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,1,0,0,0,0|1,0,0]=3 3140 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,1,0,0,0,0|0,0,0]=2 3141 B7R0.4 COCCCC(=S)N MCULE-5066867181 [1,1,0,0,0,0|1,1,0]=4 3142 B7R0.4 COCCCC(C)O MCULE-4190294636 [1,1,0,0,0,0|1,0,1]=4 3143 B7R0.4 COCCNC(=O)C MCULE-2794263612 [1,1,0,0,0,0|2,0,0]=4 3144 B7R0.4 COCCNC(=O)N MCULE-1380726553 [1,1,0,0,0,0|2,0,0]=4 3145 B7R0.4 COCCOC(=O)C MCULE-3221264060 [1,1,0,0,0,0|2,0,0]=4 3146 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [1,1,0,0,0,0|2,0,0]=4 3147 B7R0.4 COCCOC(=O)N MCULE-3401505850 [1,1,0,0,0,0|2,0,0]=4 3148 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,1,0,0,0,0|0,0,2]=4 3149 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,1,0,0,0,0|0,0,0]=2 3150 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,1,0,0,0,0|2,0,0]=4 3151 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,1,0,0,0,0|2,0,0]=4 3152 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,1,0,0,0,0|2,0,0]=4 3153 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,1,0,0,0,0|1,0,0]=3 3154 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,1,0,0,0,0|0,0,1]=3 3155 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,1,0,0,0,0|1,0,1]=4 3156 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,1,0,0,0,0|2,0,0]=4 3157 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [1,1,0,0,0,0|2,0,0]=4 3158 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [1,1,0,0,0,0|2,0,0]=4 3159 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,1,0,0,0,0|1,0,0]=3 3160 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,1,0,0,0,0|1,0,0]=3 3161 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,1,0,0,0,0|1,0,0]=3 3162 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [1,1,0,0,0,0|2,0,0]=4 3163 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,1,0,0,0,0|2,0,0]=4 3164 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,1,0,0,0,0|2,0,0]=4 3165 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,1,0,0,0,0|2,0,0]=4 3166 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,1,0,0,0,0|1,0,0]=3 3167 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,1,0,0,0,0|1,0,0]=3 3168 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,1,0,0,0,0|0,0,0]=2 3169 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,1,0,0,0,0|0,0,0]=2 3170 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,1,0,0,0,0|0,0,0]=2 3171 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,1,0,0,0,0|0,0,0]=2 3172 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [1,1,0,0,0,0|2,0,0]=4 3173 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [1,1,0,0,0,0|2,0,0]=4 3174 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [1,1,0,0,0,0|2,0,0]=4 3175 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|1,0,0]=3 3176 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|1,0,0]=3 3177 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|1,0,0]=3 3178 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|1,0,0]=3 3179 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|1,0,0]=3 3180 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|1,0,0]=3 3181 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,1,0,0,0,0|1,0,0]=3 3182 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,1,0,0,0,0|1,0,0]=3 3183 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,1,0,0,0,0|1,0,0]=3 3184 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,1,0,0,0,0|1,0,0]=3 3185 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,1,0,0,0,0|1,0,0]=3 3186 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [1,1,0,0,0,0|2,0,0]=4 3187 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [1,1,0,0,0,0|2,0,0]=4 3188 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [1,1,0,0,0,0|2,0,0]=4 3189 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [1,1,0,0,0,0|0,0,2]=4 3190 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|0,0,2]=4 3191 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,1,0,0,0,0|0,0,0]=2 3192 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,1,0,0,0,0|0,0,0]=2 3193 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|0,0,0]=2 3194 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,1,0,0,0,0|0,0,0]=2 3195 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|1,0,0]=3 3196 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,1,0,0,0,0|1,0,0]=3 3197 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,1,0,0,0,0|1,0,0]=3 3198 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,1,0,0,0,0|1,0,0]=3 3199 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|1,0,0]=3 3200 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,1,0,0,0,0|1,0,0]=3 3201 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|1,0,0]=3 3202 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,1,0,0,0,0|0,0,1]=3 3203 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,1,0,0,0,0|1,0,1]=4 3204 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|0,0,1]=3 3205 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [1,1,0,0,0,0|1,0,1]=4 3206 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [1,1,0,0,0,0|1,0,1]=4 3207 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [1,1,0,0,0,0|1,0,1]=4 3208 B7R0.4 OB(O)CCCCBr MCULE-3231135677 [1,1,0,0,0,0|1,0,1]=4 3209 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,1,0,0,0,0|0,0,2]=4 3210 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [1,1,0,0,0,0|1,0,1]=4 3211 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [1,1,0,0,0,0|1,0,1]=4 3212 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,1,0,0,0,0|0,0,1]=3 3213 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [1,1,0,0,0,0|2,0,0]=4 3214 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [1,1,0,0,0,0|2,0,0]=4 3215 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [1,1,0,0,0,0|2,0,0]=4 3216 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [1,1,0,0,0,0|2,0,0]=4 3217 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [1,1,0,0,0,0|1,0,1]=4 3218 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,1,0,0,0,0|0,0,2]=4 3219 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,1,0,0,0,0|0,0,2]=4 3220 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,1,0,0,0,0|1,0,1]=4 3221 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,1,0,0,0,0|1,0,1]=4 3222 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|0,0,1]=3 3223 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,1,0,0,0,0|0,0,2]=4 3224 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,1,0,0,0,0|1,0,0]=3 3225 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,1,0,0,0,0|2,0,0]=4 3226 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [1,1,0,0,0,0|2,0,0]=4 3227 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [1,1,0,0,0,0|2,0,0]=4 3228 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [1,1,0,0,0,0|2,0,0]=4 3229 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [1,1,0,0,0,0|2,0,0]=4 3230 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [1,1,0,0,0,0|2,0,0]=4 3231 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [1,1,0,0,0,0|2,0,0]=4 3232 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,1,0,0,0,0|1,0,1]=4 3233 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [1,1,0,0,0,0|2,0,0]=4 3234 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,1,0,0,0,0|1,0,1]=4 3235 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [1,1,0,0,0,0|2,0,0]=4 3236 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [1,1,0,0,0,0|2,0,0]=4 3237 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,1,0,0,0,0|1,0,1]=4 3238 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [1,1,0,0,0,0|1,0,1]=4 3239 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [1,1,0,0,0,0|0,0,2]=4 3240 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [1,1,0,0,0,0|0,0,2]=4 3241 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [1,1,0,0,0,0|0,0,2]=4 3242 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [1,1,0,0,0,0|1,0,1]=4 3243 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [1,1,0,0,0,0|2,0,0]=4 3244 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [1,1,0,0,0,0|2,0,0]=4 3245 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,1,0,0,0,0|1,0,0]=3 3246 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,1,0,0,0,0|1,0,0]=3 3247 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,1,0,0,0,0|0,0,0]=2 3248 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [1,1,0,0,0,0|1,1,0]=4 3249 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [1,1,0,0,0,0|1,0,1]=4 3250 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [1,1,0,0,0,0|1,0,1]=4 3251 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [1,1,0,0,0,0|2,0,0]=4 3252 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [1,1,0,0,0,0|2,0,0]=4 3253 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [1,1,0,0,0,0|2,0,0]=4 3254 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [1,1,0,0,0,0|2,0,0]=4 3255 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [1,1,0,0,0,0|2,0,0]=4 3256 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [1,1,0,0,0,0|2,0,0]=4 3257 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,1,0,0,0,0|1,0,0]=3 3258 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,1,0,0,0,0|1,0,0]=3 3259 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [1,1,0,0,0,0|2,0,0]=4 3260 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,1,0,0,0,0|1,0,0]=3 3261 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,1,0,0,0,0|1,0,0]=3 3262 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,1,0,0,0,0|1,0,0]=3 3263 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,1,0,0,0,0|0,0,0]=2 3264 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,1,0,0,0,0|0,0,0]=2 3265 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [1,1,0,0,0,0|2,0,0]=4 3266 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [1,1,0,0,0,0|2,0,0]=4 3267 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,1,0,0,0,0|0,0,0]=2 3268 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,1,0,0,0,0|0,0,1]=3 3269 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [1,1,0,0,0,0|1,0,1]=4 3270 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,1,0,0,0,0|0,0,0]=2 3271 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,1,0,0,0,0|1,0,0]=3 3272 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,1,0,0,0,0|1,0,0]=3 3273 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,1,0,0,0,0|1,0,0]=3 3274 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,1,0,0,0,0|0,0,0]=2 3275 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,1,0,0,0,0|0,0,0]=2 3276 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,1,0,0,0,0|0,0,0]=2 3277 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,1,0,0,0,0|0,0,0]=2 3278 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [1,1,0,0,0,0|1,0,1]=4 3279 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [1,1,0,0,0,0|1,0,1]=4 3280 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [1,1,0,0,0,0|1,0,1]=4 3281 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,1,0,0,0,0|1,0,0]=3 3282 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,1,0,0,0,0|0,0,0]=2 3283 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,1,0,0,0,0|0,0,0]=2 3284 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [1,1,0,0,0,0|1,0,1]=4 3285 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [1,1,0,0,0,0|1,0,1]=4 3286 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,1,0,0,0,0|1,0,0]=3 3287 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,1,0,0,0,0|1,0,0]=3 3288 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [1,1,0,0,0,0|1,0,1]=4 3289 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,1,0,0,0,0|1,0,1]=4 3290 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,1,0,0,0,0|2,0,0]=4 3291 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,1,0,0,0,0|1,0,1]=4 3292 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,1,0,0,0,0|1,0,1]=4 3293 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,1,0,0,0,0|1,0,0]=3 3294 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,1,0,0,0,0|2,0,0]=4 3295 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [1,1,0,0,0,0|2,0,0]=4 3296 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [1,1,0,0,0,0|2,0,0]=4 3297 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,1,0,0,0,0|1,0,1]=4 3298 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [1,1,0,0,0,0|1,0,1]=4 3299 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [1,1,0,0,0,0|1,0,0]=3 3300 B7R0.8 CCCCS(=O)(=O)Cl MCULE-8979625112 [1,1,0,0,0,0|1,0,1]=4 3301 B7R0.8 CCCCS(=O)(=O)F MCULE-6322697475 [1,1,0,0,0,0|1,0,1]=4 3302 B7R0.8 CCCCS(=O)(=O)N MCULE-2248674497 [1,1,0,0,0,0|1,0,1]=4 3303 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [1,1,0,0,0,0|1,0,0]=3 3304 B7R0.8 CCCCS(=O)(=O)[O-] MCULE-9859570424 [1,1,0,0,0,0|1,0,1]=4 3305 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [1,1,0,0,0,0|2,0,0]=4 3306 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [1,1,0,0,0,0|2,0,0]=4 3307 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [1,1,0,0,0,0|2,0,0]=4 3308 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [1,1,0,0,0,0|2,0,0]=4 3309 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [1,1,0,0,0,0|2,0,0]=4 3310 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [1,1,0,0,0,0|2,0,0]=4 3311 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [1,1,0,0,0,0|2,0,0]=4 3312 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [1,1,0,0,0,0|2,0,0]=4 3313 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [1,1,0,0,0,0|2,0,0]=4 3314 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [1,1,0,0,0,0|2,0,0]=4 3315 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [1,1,0,0,0,0|2,0,0]=4 3316 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [0,1,0,0,0,1|0,0,1]=3 3317 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [0,1,0,0,0,1|0,0,1]=3 3318 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [0,1,0,0,0,1|2,0,0]=4 3319 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,1,0,0,0,1|1,0,0]=3 3320 B9R0.4 CCCCC(C)OC(=O)Cl MCULE-3267128498 [0,1,0,0,0,1|2,0,0]=4 3321 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,1,0,0,0,1|0,0,0]=2 3322 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,1,0,0,0,1|0,0,0]=2 3323 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,1,0,0,0,1|1,0,0]=3 3324 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,1,0,0,0,1|0,0,0]=2 3325 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,1,0,0,0,1|1,0,0]=3 3326 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,1,0,0,0,1|0,0,0]=2 3327 B9R0.4 COCCN(C)CC(=O)O MCULE-2440763888 [0,1,0,0,0,1|2,0,0]=4 3328 B9R0.4 COCCN(C)CC(=O)O MCULE-6319676297 [0,1,0,0,0,1|2,0,0]=4 3329 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,1,0,0,0,1|0,0,0]=2 3330 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,1,0,0,0,1|0,0,0]=2 3331 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,1,0,0,0,1|1,0,0]=3 3332 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,1,0,0,0,1|0,0,0]=2 3333 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,1,0,0,0,1|0,0,0]=2 3334 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,1,0,0,0,1|0,0,0]=2 3335 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,1,0,0,0,1|0,0,0]=2 3336 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,1,0,0,0,1|0,0,0]=2 3337 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,1,0,0,0,1|0,0,0]=2 3338 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,1,0,0,0,1|0,0,0]=2 3339 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,1,0,0,0,1|0,0,0]=2 3340 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,1,0,0,0,1|0,0,0]=2 3341 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,1,0,0,0,1|0,0,0]=2 3342 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,1,0,0,0,1|0,0,0]=2 3343 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,1,0,0,0,1|0,0,0]=2 3344 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,1,0,0,0,1|0,0,0]=2 3345 B9R0.4 [N-]=[N+]=NC[C@@H](N)CC(=O)O MCULE-2831741781 [0,1,0,0,0,1|2,0,0]=4 3346 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,1,0,0,0,1|1,0,0]=3 3347 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [0,1,0,0,0,1|1,0,0]=3 3348 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [0,1,0,0,0,1|1,0,0]=3 3349 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,1,0,0,0,1|1,0,0]=3 3350 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [0,1,0,0,0,1|1,0,0]=3 3351 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [0,1,0,0,0,1|1,0,0]=3 3352 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,1,0,0,0,1|0,0,0]=2 3353 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,1,0,0,0,1|0,0,0]=2 3354 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,1,0,0,0,1|0,0,0]=2 3355 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [0,1,0,0,0,1|2,0,0]=4 3356 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [0,1,0,0,0,1|1,0,0]=3 3357 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [0,1,0,0,0,1|1,0,0]=3 3358 B9R0.14 CCCC(CC)OC(=O)C MCULE-8250494331 [0,1,0,0,0,1|2,0,0]=4 3359 B9R0.14 CCCC(CC)OC(=O)Cl MCULE-1870486997 [0,1,0,0,0,1|2,0,0]=4 3360 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,1,0,0,0,1|1,0,1]=4 3361 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,1,0,0,0,1|0,0,0]=2 3362 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,1,0,0,0,1|0,0,0]=2 3363 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-8864839000 [0,1,0,0,0,1|2,0,0]=4 3364 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-9691138087 [0,1,0,0,0,1|2,0,0]=4 3365 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,1,0,0,0,1|0,0,0]=2 3366 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,1,0,0,0,1|0,0,0]=2 3367 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,1,0,0,0,1|0,0,0]=2 3368 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,1,0,0,0,1|0,0,0]=2 3369 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,1,0,0,0,1|0,0,0]=2 3370 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,1,0,0,0,1|0,0,0]=2 3371 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,1,0,0,0,1|0,0,0]=2 3372 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,1,0,0,0,1|0,0,0]=2 3373 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,1,0,0,0,1|0,0,0]=2 3374 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,1,0,0,0,1|0,0,0]=2 3375 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,1,0,0,0,1|1,0,1]=4 3376 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,1,0,0,0,1|1,0,1]=4 3377 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,1,0,0,0,1|1,0,1]=4 3378 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,1,0,0,0,1|1,0,1]=4 3379 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,1,0,0,0,1|1,0,1]=4 3380 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,1,0,0,0,1|1,0,1]=4 3381 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,1,0,0,0,1|2,0,0]=4 3382 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,1,0,0,0,1|2,0,0]=4 3383 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,1,0,0,0,1|1,0,1]=4 3384 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9776508302 [0,1,0,0,0,1|0,0,2]=4 3385 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9805416518 [0,1,0,0,0,1|0,0,2]=4 3386 B9R0.34 CCCC(=O)CC(=O)OC MCULE-2510974701 [0,1,0,0,0,1|1,0,1]=4 3387 B9R0.34 CCCC(C)NC(=O)CCl MCULE-3205397083 [0,1,0,0,0,1|2,0,0]=4 3388 B9R0.34 CCCC(N)CC(=O)OC MCULE-5451525631 [0,1,0,0,0,1|0,0,0]=2 3389 B9R0.34 CCCC(N)CC(=O)OC MCULE-7351529051 [0,1,0,0,0,1|0,0,0]=2 3390 B9R0.34 CCCC(O)CC(=O)OC MCULE-5453080247 [0,1,0,0,0,1|1,0,0]=3 3391 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-1916315590 [0,1,0,0,0,1|0,0,0]=2 3392 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-6083487116 [0,1,0,0,0,1|0,0,0]=2 3393 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-7324647206 [0,1,0,0,0,1|0,0,0]=2 3394 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-8276275492 [0,1,0,0,0,1|0,0,0]=2 3395 B9R0.34 CCC[C@H](O)CC(=O)OC MCULE-6660623319 [0,1,0,0,0,1|1,0,0]=3 3396 B9R0.34 [C@@H](O)(CCC)CC(=O)OC MCULE-5886148746 [0,1,0,0,0,1|1,0,0]=3 3397 B9R0.53 CC(=O)CC(C)CC(C)C MCULE-3290069482 [0,1,0,0,0,1|2,0,0]=4 3398 B9R0.53 CC(=O)OC(C)CC(C)C MCULE-4956954975 [0,1,0,0,0,1|2,0,0]=4 3399 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,1,0,0,0,1|1,0,0]=3 3400 B9R0.53 CC(C)CC(C)OC(=O)Cl MCULE-5901476510 [0,1,0,0,0,1|2,0,0]=4 3401 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,1,0,0,0,1|0,0,0]=2 3402 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,1,0,0,0,1|0,0,0]=2 3403 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,1,0,0,0,1|0,0,0]=2 3404 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,1,0,0,0,1|1,0,0]=3 3405 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,1,0,0,0,1|0,0,0]=2 3406 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,1,0,0,0,1|0,0,0]=2 3407 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,1,0,0,0,1|0,0,0]=2 3408 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,1,0,0,0,1|0,0,0]=2 3409 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,1,0,0,0,1|0,0,0]=2 3410 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,1,0,0,0,1|0,0,0]=2 3411 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,1,0,0,0,1|0,0,0]=2 3412 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,1,0,0,0,1|0,0,0]=2 3413 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [0,1,0,0,0,1|2,0,0]=4 3414 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,1,0,0,0,1|1,0,1]=4 3415 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,1,0,0,0,1|1,0,1]=4 3416 B9R0.58 CC(O)(CCO)CC(=O)O MCULE-1728546222 [0,1,0,0,0,1|2,0,0]=4 3417 B9R0.58 CCCC(C)(C)CC(=O)O MCULE-3472003458 [0,1,0,0,0,1|1,0,0]=3 3418 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [0,1,0,0,0,1|1,0,0]=3 3419 B9R0.58 CCCS(=O)(=O)CC(=O)O MCULE-2673302591 [0,1,0,0,0,1|2,0,0]=4 3420 B9R0.58 CNCC(C)(C)CC(=O)O MCULE-9673126610 [0,1,0,0,0,1|2,0,0]=4 3421 B9R0.58 COCC(C)(C)CC(=O)O MCULE-3020905492 [0,1,0,0,0,1|2,0,0]=4 3422 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-1986337120 [0,1,0,0,0,1|2,0,0]=4 3423 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-8476600793 [0,1,0,0,0,1|2,0,0]=4 3424 B9R0.27 C=C(OC)C(N)C(=O)OC MCULE-2643396359 [0,2,0,0,0,0|1,0,1]=4 3425 B9R0.27 C=C(OC)C(N)C(=O)OC MCULE-5233065686 [0,2,0,0,0,0|1,0,1]=4 3426 B9R0.27 CCC(=O)C(C)C(=O)OC MCULE-2153331264 [0,2,0,0,0,0|1,0,1]=4 3427 B9R0.27 CCC(=O)C(Cl)C(=O)OC MCULE-6097382115 [0,2,0,0,0,0|1,0,1]=4 3428 B9R0.27 CCC(=O)C(F)C(=O)OC MCULE-7376153502 [0,2,0,0,0,0|1,0,1]=4 3429 B9R0.27 CCC(C)C(Cl)C(=O)OC MCULE-4549387192 [0,2,0,0,0,0|1,0,0]=3 3430 B9R0.27 CCC(C)C(N)C(=O)CCl MCULE-4483538140 [0,2,0,0,0,0|1,0,0]=3 3431 B9R0.27 CCC(C)C(N)C(=O)CCl MCULE-8837034349 [0,2,0,0,0,0|1,0,0]=3 3432 B9R0.27 CCC(C)C(N)C(=O)OC MCULE-1846968686 [0,2,0,0,0,0|0,0,0]=2 3433 B9R0.27 CCC(C)C(N)C(=O)OC MCULE-3209850544 [0,2,0,0,0,0|0,0,0]=2 3434 B9R0.27 CCC(C)C(O)C(=O)OC MCULE-8434457313 [0,2,0,0,0,0|1,0,0]=3 3435 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-5958902036 [0,2,0,0,0,0|1,0,0]=3 3436 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-7272235506 [0,2,0,0,0,0|1,0,0]=3 3437 B9R0.27 CCC(O)C(C)C(=O)OC MCULE-2007143538 [0,2,0,0,0,0|1,0,0]=3 3438 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-5533680436 [0,2,0,0,0,0|0,0,0]=2 3439 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-7868747169 [0,2,0,0,0,0|0,0,0]=2 3440 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-9579020209 [0,2,0,0,0,0|0,0,0]=2 3441 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-1729886523 [0,2,0,0,0,0|0,0,0]=2 3442 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-2521314466 [0,2,0,0,0,0|0,0,0]=2 3443 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-5130592222 [0,2,0,0,0,0|0,0,0]=2 3444 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-6653217048 [0,2,0,0,0,0|0,0,0]=2 3445 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-2281100748 [0,2,0,0,0,0|1,0,0]=3 3446 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-5249500214 [0,2,0,0,0,0|1,0,0]=3 3447 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-6738846261 [0,2,0,0,0,0|1,0,0]=3 3448 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-9006274135 [0,2,0,0,0,0|1,0,0]=3 3449 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NC MCULE-4817137974 [0,2,0,0,0,0|1,0,0]=3 3450 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NC MCULE-6810748923 [0,2,0,0,0,0|1,0,0]=3 3451 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-5150983559 [0,2,0,0,0,0|0,0,0]=2 3452 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-6620651568 [0,2,0,0,0,0|0,0,0]=2 3453 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-7115424543 [0,2,0,0,0,0|0,0,0]=2 3454 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-9658781072 [0,2,0,0,0,0|0,0,0]=2 3455 B9R0.27 COC(=O)C(Br)C(C)OC MCULE-6549332688 [0,2,0,0,0,0|2,0,0]=4 3456 B9R0.27 COC(=O)C(Cl)C(C)OC MCULE-5732373323 [0,2,0,0,0,0|2,0,0]=4 3457 B9R0.27 COC(=O)C(N)C(=O)OC MCULE-2149912111 [0,2,0,0,0,0|1,0,1]=4 3458 B9R0.27 COC(=O)C(N)C(=O)OC MCULE-3544655591 [0,2,0,0,0,0|1,0,1]=4 3459 B9R0.27 COC(=O)C(O)C(C)OC MCULE-5538819656 [0,2,0,0,0,0|2,0,0]=4 3460 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr MCULE-2908359031 [0,2,0,0,0,0|2,0,0]=4 3461 B9R0.27 COC(=O)[C@@H](Cl)[C@@H](C)OC MCULE-1203632970 [0,2,0,0,0,0|2,0,0]=4 3462 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [0,2,0,0,0,0|2,0,0]=4 3463 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [0,2,0,0,0,0|2,0,0]=4 3464 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [0,2,0,0,0,0|2,0,0]=4 3465 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [0,2,0,0,0,0|2,0,0]=4 3466 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [0,2,0,0,0,0|2,0,0]=4 3467 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [0,2,0,0,0,0|2,0,0]=4 3468 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [0,2,0,0,0,0|2,0,0]=4 3469 B9R0.28 CCC(C)C(F)(F)C(=O)O MCULE-8813807658 [0,2,0,0,0,0|1,0,0]=3 3470 B9R0.28 CCC(O)C(F)(F)C(=O)O MCULE-8473962124 [0,2,0,0,0,0|1,0,0]=3 3471 B9R0.28 CCN(C)C(C)(C)C(=O)O MCULE-1120650068 [0,2,0,0,0,0|2,0,0]=4 3472 B9R0.29 CCC(C(=O)O)N(C)CC MCULE-1956799237 [0,2,0,0,0,0|2,0,0]=4 3473 B9R0.29 CCC(C)C(CC)C(=O)N MCULE-4344033333 [0,2,0,0,0,0|2,0,0]=4 3474 B9R0.29 CCC(C)C(NC)C(=O)O MCULE-1957885665 [0,2,0,0,0,0|0,0,0]=2 3475 B9R0.29 CCC(C)C(OC)C(=O)O MCULE-7966384544 [0,2,0,0,0,0|1,0,0]=3 3476 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O MCULE-8364477291 [0,2,0,0,0,0|0,0,0]=2 3477 B9R0.29 CC[C@H](C)[C@@H](CC)C(=O)N MCULE-3247505890 [0,2,0,0,0,0|2,0,0]=4 3478 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O MCULE-6136891317 [0,2,0,0,0,0|0,0,0]=2 3479 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-1871065287 [0,2,0,0,0,0|0,0,0]=2 3480 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-3891615565 [0,2,0,0,0,0|0,0,0]=2 3481 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-9489341112 [0,2,0,0,0,0|0,0,0]=2 3482 B9R0.29 COC(C)C(OC)C(=O)O MCULE-8500320405 [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.29 [C@H](C)(CC)[C@H](NC)C(=O)O MCULE-1663789159 [0,2,0,0,0,0|0,0,0]=2 3484 B9R0.32 C=CC(C)(C)C(N)C(=O)O MCULE-2556027740 [0,2,0,0,0,0|0,0,2]=4 3485 B9R0.32 CC(C)(CN)C(O)C(=O)O MCULE-1251426662 [0,2,0,0,0,0|2,0,0]=4 3486 B9R0.32 CC(C)(CO)C(O)C(=O)O MCULE-3752332762 [0,2,0,0,0,0|2,0,0]=4 3487 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O MCULE-7418140514 [0,2,0,0,0,0|2,0,0]=4 3488 B9R0.32 CCC(C)(C)C(=O)C(=O)O MCULE-2609139055 [0,2,0,0,0,0|1,0,1]=4 3489 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-2030759346 [0,2,0,0,0,0|0,0,0]=2 3490 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-8756866734 [0,2,0,0,0,0|0,0,0]=2 3491 B9R0.32 CCC(C)(C)C(O)C(=O)O MCULE-6783140520 [0,2,0,0,0,0|1,0,0]=3 3492 B9R0.32 CCC(C)(O)C(O)C(=O)O MCULE-6322081363 [0,2,0,0,0,0|1,0,0]=3 3493 B9R0.32 CCS(=O)(=O)C(C)C(=O)O MCULE-8630070520 [0,2,0,0,0,0|2,0,0]=4 3494 B9R0.32 COC(C)(C)C(Br)C(=O)O MCULE-4686359113 [0,2,0,0,0,0|2,0,0]=4 3495 B9R0.32 COC(C)(C)C(N)C(=O)O MCULE-7291117506 [0,2,0,0,0,0|1,0,0]=3 3496 B9R0.32 COC(C)(C)[C@H](N)C(=O)O MCULE-1351027484 [0,2,0,0,0,0|1,0,0]=3 3497 B9R0.41 CCC(CC)C(C)C(=O)O MCULE-8487981910 [0,2,0,0,0,0|1,0,0]=3 3498 B9R0.41 CCC(CC)C(N)C(=O)N MCULE-1437498037 [0,2,0,0,0,0|1,0,0]=3 3499 B9R0.41 CCC(CC)C(N)C(=O)O MCULE-5833155408 [0,2,0,0,0,0|0,0,0]=2 3500 B9R0.41 CCC(CC)C(N)C(=O)O MCULE-6712053086 [0,2,0,0,0,0|0,0,0]=2 3501 B9R0.41 CCC(CC)C(O)C(=O)N MCULE-7184457381 [0,2,0,0,0,0|2,0,0]=4 3502 B9R0.41 CCC(CC)[C@@H](N)C(=O)O MCULE-2731098319 [0,2,0,0,0,0|0,0,0]=2 3503 B9R0.41 CCC(CC)[C@H](N)C(=O)O MCULE-2848963263 [0,2,0,0,0,0|0,0,0]=2 3504 B9R0.41 CCC(CC)[C@H](N)C(=O)O MCULE-7573557331 [0,2,0,0,0,0|0,0,0]=2 3505 B9R0.41 CCN(CC)C(C)C(=O)O MCULE-1799679345 [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,2,0,0,0,0|1,0,1]=4 3507 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,2,0,0,0,0|1,0,1]=4 3508 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,2,0,0,0,0|0,0,0]=2 3509 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,2,0,0,0,0|0,0,0]=2 3510 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,2,0,0,0,0|1,0,0]=3 3511 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,2,0,0,0,0|0,0,0]=2 3512 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,2,0,0,0,0|0,0,0]=2 3513 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,2,0,0,0,0|0,0,0]=2 3514 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,2,0,0,0,0|0,0,0]=2 3515 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,2,0,0,0,0|0,0,0]=2 3516 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,2,0,0,0,0|0,0,0]=2 3517 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,2,0,0,0,0|0,0,0]=2 3518 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,2,0,0,0,0|0,0,0]=2 3519 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,2,0,0,0,0|0,0,0]=2 3520 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,2,0,0,0,0|0,0,0]=2 3521 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,2,0,0,0,0|0,0,0]=2 3522 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,2,0,0,0,0|0,0,0]=2 3523 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,2,0,0,0,0|1,0,1]=4 3524 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,2,0,0,0,0|1,0,1]=4 3525 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,2,0,0,0,0|0,0,0]=2 3526 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,2,0,0,0,0|0,0,0]=2 3527 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,2,0,0,0,0|1,0,1]=4 3528 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,2,0,0,0,0|1,0,1]=4 3529 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,2,0,0,0,0|1,0,1]=4 3530 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,2,0,0,0,0|1,0,1]=4 3531 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,2,0,0,0,0|1,0,1]=4 3532 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,2,0,0,0,0|1,0,1]=4 3533 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,2,0,0,0,0|0,0,0]=2 3534 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-3671687930 [0,2,0,0,0,0|0,0,0]=2 3535 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-7038280539 [0,2,0,0,0,0|0,0,0]=2 3536 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9372602528 [0,2,0,0,0,0|0,0,1]=3 3537 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9719986161 [0,2,0,0,0,0|0,0,1]=3 3538 B9R0.8 CC#CCC(N)C(=O)OC MCULE-5322994663 [0,2,0,0,0,0|0,0,1]=3 3539 B9R0.8 CCCCC(Br)C(=O)OC MCULE-4103872528 [0,2,0,0,0,0|1,0,0]=3 3540 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [0,2,0,0,0,0|0,0,0]=2 3541 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [0,2,0,0,0,0|0,0,0]=2 3542 B9R0.8 CCCCC(S)C(=O)OC MCULE-3094220494 [0,2,0,0,0,0|1,0,0]=3 3543 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [0,2,0,0,0,0|0,0,0]=2 3544 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [0,2,0,0,0,0|0,0,0]=2 3545 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [0,2,0,0,0,0|0,0,0]=2 3546 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [0,2,0,0,0,0|0,0,0]=2 3547 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [0,2,0,0,0,0|0,0,0]=2 3548 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [0,2,0,0,0,0|0,0,0]=2 3549 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [0,2,0,0,0,0|0,0,0]=2 3550 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [0,2,0,0,0,0|0,0,0]=2 3551 B9R0.8 CCCNC(C)C(=O)OC MCULE-6800510102 [0,2,0,0,0,0|1,0,0]=3 3552 B9R0.8 CCNCC(C)C(=O)OC MCULE-6455791716 [0,2,0,0,0,0|1,0,0]=3 3553 B9R0.8 CNC(=O)C(Br)CCCBr MCULE-1002452684 [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-3612140892 [0,2,0,0,0,0|1,0,0]=3 3555 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-5468588566 [0,2,0,0,0,0|1,0,0]=3 3556 B9R0.8 CNCCN(C)C(=O)OC MCULE-4007840591 [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.8 COC(=O)C(=O)CCCBr MCULE-8546187031 [0,2,0,0,0,0|1,0,1]=4 3558 B9R0.8 COC(=O)C(=O)CCCCl MCULE-2958576452 [0,2,0,0,0,0|1,0,1]=4 3559 B9R0.8 COC(=O)C(Br)CCCBr MCULE-5582617448 [0,2,0,0,0,0|1,0,0]=3 3560 B9R0.8 COC(=O)C(Br)CCCCl MCULE-9987054323 [0,2,0,0,0,0|1,0,0]=3 3561 B9R0.8 COC(=O)C(C)NCCF MCULE-3281749935 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.8 COC(=O)C(N)CCCN MCULE-6521555168 [0,2,0,0,0,0|0,0,0]=2 3563 B9R0.8 COC(=O)C(N)CCSC MCULE-4738091605 [0,2,0,0,0,0|0,0,0]=2 3564 B9R0.8 COC(=O)C(N)CCSC MCULE-7178342109 [0,2,0,0,0,0|0,0,0]=2 3565 B9R0.8 COC(=O)C(O)CCCBr MCULE-5891554758 [0,2,0,0,0,0|1,0,0]=3 3566 B9R0.8 COC(=O)C(O)CCSC MCULE-3114435129 [0,2,0,0,0,0|1,0,0]=3 3567 B9R0.8 COC(=O)N(C)CCCN MCULE-4167608498 [0,2,0,0,0,0|2,0,0]=4 3568 B9R0.8 COC(=O)N(C)CCCO MCULE-4886206070 [0,2,0,0,0,0|2,0,0]=4 3569 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-3351048688 [0,2,0,0,0,0|0,0,0]=2 3570 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-4548438838 [0,2,0,0,0,0|0,0,0]=2 3571 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-7062535738 [0,2,0,0,0,0|0,0,0]=2 3572 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-9355659419 [0,2,0,0,0,0|0,0,0]=2 3573 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-3027295067 [0,2,0,0,0,0|0,0,0]=2 3574 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4484402389 [0,2,0,0,0,0|0,0,0]=2 3575 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4509945770 [0,2,0,0,0,0|0,0,0]=2 3576 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-8108341265 [0,2,0,0,0,0|0,0,0]=2 3577 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-2625316815 [0,2,0,0,0,0|0,0,0]=2 3578 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4715960090 [0,2,0,0,0,0|0,0,0]=2 3579 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4992114876 [0,2,0,0,0,0|0,0,0]=2 3580 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-9745337815 [0,2,0,0,0,0|0,0,0]=2 3581 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2197835132 [0,2,0,0,0,0|0,0,0]=2 3582 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2663127706 [0,2,0,0,0,0|0,0,0]=2 3583 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-6414786546 [0,2,0,0,0,0|0,0,0]=2 3584 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-7616587728 [0,2,0,0,0,0|0,0,0]=2 3585 B9R0.8 COCCC(N)C(=O)OC MCULE-3540159086 [0,2,0,0,0,0|0,0,0]=2 3586 B9R0.8 COCCC(N)C(=O)OC MCULE-5893511237 [0,2,0,0,0,0|0,0,0]=2 3587 B9R0.12 C=CCC(NC)C(=O)OC MCULE-2627043783 [0,2,0,0,0,0|0,0,2]=4 3588 B9R0.12 C=CCC(NC)C(=O)OC MCULE-9141678175 [0,2,0,0,0,0|0,0,2]=4 3589 B9R0.12 CCCC(NC)C(=O)OC MCULE-1157341941 [0,2,0,0,0,0|0,0,0]=2 3590 B9R0.12 CCOC(CBr)C(=O)OC MCULE-6666693930 [0,2,0,0,0,0|2,0,0]=4 3591 B9R0.12 CNC(=O)C(CCO)NC MCULE-9412548333 [0,2,0,0,0,0|2,0,0]=4 3592 B9R0.12 CNC(CCN)C(=O)OC MCULE-7848551324 [0,2,0,0,0,0|1,0,0]=3 3593 B9R0.12 CNC(COC)C(=O)OC MCULE-6909479011 [0,2,0,0,0,0|1,0,0]=3 3594 B9R0.12 COC(=O)C(CCN)OC MCULE-4716419095 [0,2,0,0,0,0|2,0,0]=4 3595 B9R0.12 COCC(OC)C(=O)OC MCULE-3132961231 [0,2,0,0,0,0|2,0,0]=4 3596 B9R0.35 C#CCC(N)C(=O)OCC MCULE-8236062299 [0,2,0,0,0,0|0,0,2]=4 3597 B9R0.35 C#CCC(N)C(=O)OCC MCULE-9710001499 [0,2,0,0,0,0|0,0,2]=4 3598 B9R0.35 C=C(CCC)C(=O)OCC MCULE-6119854466 [0,2,0,0,0,0|1,0,1]=4 3599 B9R0.35 C=CCC(N)C(=O)OCC MCULE-6988577150 [0,2,0,0,0,0|0,0,2]=4 3600 B9R0.35 C=CCC(N)C(=O)OCC MCULE-9307872655 [0,2,0,0,0,0|0,0,2]=4 3601 B9R0.35 C=CC[C@@H](N)C(=O)OCC MCULE-3595098101 [0,2,0,0,0,0|0,0,2]=4 3602 B9R0.35 C=CC[C@@H](N)C(=O)OCC MCULE-5727134719 [0,2,0,0,0,0|0,0,2]=4 3603 B9R0.35 C=CC[C@@H](N)C(=O)OCC MCULE-5878141476 [0,2,0,0,0,0|0,0,2]=4 3604 B9R0.35 C=CC[C@@H](N)C(=O)OCC MCULE-8963760852 [0,2,0,0,0,0|0,0,2]=4 3605 B9R0.35 C=CC[C@H](N)C(=O)OCC MCULE-1611787862 [0,2,0,0,0,0|0,0,2]=4 3606 B9R0.35 C=CC[C@H](N)C(=O)OCC MCULE-2812687218 [0,2,0,0,0,0|0,0,2]=4 3607 B9R0.35 C=CC[C@H](N)C(=O)OCC MCULE-7811335758 [0,2,0,0,0,0|0,0,2]=4 3608 B9R0.35 C=CC[C@H](N)C(=O)OCC MCULE-9759543265 [0,2,0,0,0,0|0,0,2]=4 3609 B9R0.35 CCCC(=O)C(=O)OCC MCULE-2397358060 [0,2,0,0,0,0|1,0,1]=4 3610 B9R0.35 CCCC(=O)C(O)CCC MCULE-8800884172 [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.35 CCCC(Br)C(=O)OCC MCULE-1641585625 [0,2,0,0,0,0|1,0,0]=3 3612 B9R0.35 CCCC(C)C(=O)CC#N MCULE-1334546297 [0,2,0,0,0,0|2,0,0]=4 3613 B9R0.35 CCCC(C)C(=O)OCC MCULE-6427957662 [0,2,0,0,0,0|1,0,0]=3 3614 B9R0.35 CCCC(Cl)C(=O)OCC MCULE-2230642797 [0,2,0,0,0,0|1,0,0]=3 3615 B9R0.35 CCCC(N)C(=O)OCC MCULE-2079160613 [0,2,0,0,0,0|0,0,0]=2 3616 B9R0.35 CCCC(N)C(=O)OCC MCULE-2244229552 [0,2,0,0,0,0|0,0,0]=2 3617 B9R0.35 CCCC(N)C(=O)OCC MCULE-3263328358 [0,2,0,0,0,0|0,0,0]=2 3618 B9R0.35 CCCC(N)C(=O)OCC MCULE-7880644615 [0,2,0,0,0,0|0,0,0]=2 3619 B9R0.35 CCCC(O)C(=O)OCC MCULE-6556101983 [0,2,0,0,0,0|1,0,0]=3 3620 B9R0.35 CCCN(N)C(=O)OCC MCULE-9670705824 [0,2,0,0,0,0|1,0,0]=3 3621 B9R0.35 CCC[C@@H](N)C(=O)OCC MCULE-1531063816 [0,2,0,0,0,0|0,0,0]=2 3622 B9R0.35 CCC[C@@H](N)C(=O)OCC MCULE-7568828812 [0,2,0,0,0,0|0,0,0]=2 3623 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-3035934367 [0,2,0,0,0,0|0,0,0]=2 3624 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-4542516474 [0,2,0,0,0,0|0,0,0]=2 3625 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-6667556654 [0,2,0,0,0,0|0,0,0]=2 3626 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-8895399157 [0,2,0,0,0,0|0,0,0]=2 3627 B9R0.35 CCOC(=O)C(Br)CCBr MCULE-7116141170 [0,2,0,0,0,0|2,0,0]=4 3628 B9R0.35 CCOC(=O)C(C)CNC MCULE-7751336299 [0,2,0,0,0,0|2,0,0]=4 3629 B9R0.35 CCOC(=O)C(Cl)OCC MCULE-5407634230 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.35 CCOC(=O)C(N)CCF MCULE-2487544760 [0,2,0,0,0,0|1,0,0]=3 3631 B9R0.35 CCOC(=O)C(N)CCF MCULE-6489878876 [0,2,0,0,0,0|1,0,0]=3 3632 B9R0.35 CCOC(=O)C(N)CSC MCULE-2209633449 [0,2,0,0,0,0|1,0,0]=3 3633 B9R0.35 CCOC(=O)C(N)CSC MCULE-8867028850 [0,2,0,0,0,0|1,0,0]=3 3634 B9R0.35 CCOC(=O)C(O)COC MCULE-5467138480 [0,2,0,0,0,0|2,0,0]=4 3635 B9R0.35 CCOC(=O)[C@@H](N)CSC MCULE-5964178887 [0,2,0,0,0,0|1,0,0]=3 3636 B9R0.35 CCOC(=O)[C@@H](N)CSC MCULE-6298472660 [0,2,0,0,0,0|1,0,0]=3 3637 B9R0.60 C=CCC(C)(N)C(=O)OC MCULE-9985053421 [0,2,0,0,0,0|0,0,2]=4 3638 B9R0.60 C=CC[C@@](C)(N)C(=O)OC MCULE-5748038167 [0,2,0,0,0,0|0,0,2]=4 3639 B9R0.60 C=CC[C@](C)(N)C(=O)OC MCULE-8337287647 [0,2,0,0,0,0|0,0,2]=4 3640 B9R0.60 CCCC(C)(N)C(=O)OC MCULE-3420672647 [0,2,0,0,0,0|0,0,0]=2 3641 B9R0.60 CCCC(C)(N)C(=O)OC MCULE-5121628800 [0,2,0,0,0,0|0,0,0]=2 3642 B9R0.60 CCCC(C)(O)C(=O)OC MCULE-6961757561 [0,2,0,0,0,0|1,0,0]=3 3643 B9R0.60 CCNC(C)(C)C(=O)OC MCULE-5158822270 [0,2,0,0,0,0|2,0,0]=4 3644 B9R0.60 COC(=O)C(C)(C)CCBr MCULE-5231711658 [0,2,0,0,0,0|2,0,0]=4 3645 B9R0.60 COC(=O)C(C)(C)CCN MCULE-2023148799 [0,2,0,0,0,0|2,0,0]=4 3646 B9R0.60 COC(=O)C(C)(C)CCN MCULE-2474943279 [0,2,0,0,0,0|2,0,0]=4 3647 B9R0.60 COC(=O)C(C)(C)CCO MCULE-8244412814 [0,2,0,0,0,0|2,0,0]=4 3648 B9R0.60 COC(=O)C(C)(N)CCF MCULE-3286692679 [0,2,0,0,0,0|1,0,0]=3 3649 B9R0.60 COCC(C)(C)C(=O)OC MCULE-3637426085 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.60 COCC(C)(N)C(=O)OC MCULE-1217021832 [0,2,0,0,0,0|1,0,0]=3 3651 B9R0.60 COCC(C)(O)C(=O)OC MCULE-1952223492 [0,2,0,0,0,0|2,0,0]=4 3652 B9R0.60 COCC(F)(F)C(=O)OC MCULE-3963371314 [0,2,0,0,0,0|2,0,0]=4 3653 B9R0.3 C(N)(CCSC)C(C)(C)O MCULE-7544508587 [0,2,0,0,0,0|1,0,1]=4 3654 B9R0.3 C(N)(CCSC)C(C)(C)O MCULE-8202006517 [0,2,0,0,0,0|1,0,1]=4 3655 B9R0.3 CCCCC(N)P(=O)(O)O MCULE-6746003648 [0,2,0,0,0,0|1,0,0]=3 3656 B9R0.3 CSCCC(N)C(C)(C)O MCULE-3424813820 [0,2,0,0,0,0|1,0,1]=4 3657 B9R0.3 CSCCC(N)C(C)(C)O MCULE-8866627958 [0,2,0,0,0,0|1,0,1]=4 3658 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-1314538644 [0,2,0,0,0,0|1,0,1]=4 3659 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-6475773659 [0,2,0,0,0,0|1,0,1]=4 3660 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-7880752352 [0,2,0,0,0,0|1,0,1]=4 3661 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-9319403199 [0,2,0,0,0,0|1,0,1]=4 3662 B9R0.3 CSCC[C@H](N)C(C)(C)O MCULE-3286830056 [0,2,0,0,0,0|1,0,1]=4 3663 B9R0.3 CSCC[C@H](N)C(C)(C)O MCULE-4360953563 [0,2,0,0,0,0|1,0,1]=4 3664 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,2,0,0,0,0|0,0,1]=3 3665 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-3833333239 [0,2,0,0,0,0|1,0,1]=4 3666 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-5949669555 [0,2,0,0,0,0|1,0,1]=4 3667 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,2,0,0,0,0|0,0,1]=3 3668 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,2,0,0,0,0|0,0,1]=3 3669 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,2,0,0,0,0|0,0,1]=3 3670 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,2,0,0,0,0|0,0,1]=3 3671 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,2,0,0,0,0|0,0,1]=3 3672 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,2,0,0,0,0|0,0,1]=3 3673 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,2,0,0,0,0|0,0,1]=3 3674 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,2,0,0,0,0|0,0,1]=3 3675 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,2,0,0,0,0|0,0,1]=3 3676 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,2,0,0,0,0|0,0,1]=3 3677 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,2,0,0,0,0|0,0,1]=3 3678 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,2,0,0,0,0|0,0,1]=3 3679 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,2,0,0,0,0|0,0,1]=3 3680 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,2,0,0,0,0|0,0,1]=3 3681 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,2,0,0,0,0|0,0,1]=3 3682 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,2,0,0,0,0|1,0,1]=4 3683 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,2,0,0,0,0|0,0,1]=3 3684 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,2,0,0,0,0|0,0,1]=3 3685 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,2,0,0,0,0|1,0,1]=4 3686 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,2,0,0,0,0|1,0,1]=4 3687 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,2,0,0,0,0|0,0,1]=3 3688 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,2,0,0,0,0|0,0,1]=3 3689 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,2,0,0,0,0|1,0,0]=3 3690 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,2,0,0,0,0|1,0,0]=3 3691 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,2,0,0,0,0|0,0,0]=2 3692 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,2,0,0,0,0|0,0,0]=2 3693 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,2,0,0,0,0|0,0,0]=2 3694 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,2,0,0,0,0|0,0,0]=2 3695 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,2,0,0,0,0|0,0,0]=2 3696 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,2,0,0,0,0|0,0,0]=2 3697 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,2,0,0,0,0|0,0,0]=2 3698 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,2,0,0,0,0|0,0,0]=2 3699 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,2,0,0,0,0|0,0,0]=2 3700 B9R0.7 CC(C)CNC(=O)C(=O)O MCULE-4401645596 [0,2,0,0,0,0|1,0,1]=4 3701 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [0,2,0,0,0,0|1,0,0]=3 3702 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,2,0,0,0,0|0,0,0]=2 3703 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,2,0,0,0,0|0,0,0]=2 3704 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,2,0,0,0,0|1,0,1]=4 3705 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,2,0,0,0,0|1,0,1]=4 3706 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,2,0,0,0,0|1,0,0]=3 3707 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,2,0,0,0,0|1,0,0]=3 3708 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,2,0,0,0,0|0,0,0]=2 3709 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,2,0,0,0,0|1,0,0]=3 3710 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,2,0,0,0,0|0,0,0]=2 3711 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,2,0,0,0,0|0,0,0]=2 3712 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,2,0,0,0,0|0,0,0]=2 3713 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,2,0,0,0,0|0,0,0]=2 3714 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,2,0,0,0,0|0,0,0]=2 3715 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,2,0,0,0,0|0,0,0]=2 3716 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,2,0,0,0,0|0,0,0]=2 3717 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,2,0,0,0,0|0,0,0]=2 3718 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,2,0,0,0,0|1,0,1]=4 3719 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,2,0,0,0,0|1,0,1]=4 3720 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,2,0,0,0,0|1,0,1]=4 3721 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,2,0,0,0,0|2,0,0]=4 3722 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,2,0,0,0,0|0,0,0]=2 3723 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,2,0,0,0,0|0,0,0]=2 3724 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,2,0,0,0,0|0,0,0]=2 3725 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,2,0,0,0,0|0,0,0]=2 3726 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,2,0,0,0,0|0,0,0]=2 3727 B9R0.7 C[S+](C)CCC(N)C(=O)[O-] MCULE-6795236117 [0,2,0,0,0,0|0,0,1]=3 3728 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,2,0,0,0,0|0,0,0]=2 3729 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,2,0,0,0,0|0,0,0]=2 3730 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,2,0,0,0,0|0,0,0]=2 3731 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,2,0,0,0,0|0,0,0]=2 3732 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,2,0,0,0,0|0,0,0]=2 3733 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,2,0,0,0,0|0,0,0]=2 3734 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,2,0,0,0,0|0,0,0]=2 3735 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,2,0,0,0,0|0,0,0]=2 3736 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,2,0,0,0,0|0,0,0]=2 3737 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,2,0,0,0,0|1,0,1]=4 3738 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,2,0,0,0,0|1,0,1]=4 3739 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,2,0,0,0,0|1,0,1]=4 3740 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,2,0,0,0,0|1,0,1]=4 3741 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,2,0,0,0,0|1,0,1]=4 3742 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,2,0,0,0,0|1,0,1]=4 3743 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,2,0,0,0,0|1,0,1]=4 3744 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,2,0,0,0,0|1,0,1]=4 3745 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,2,0,0,0,0|1,0,1]=4 3746 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,2,0,0,0,0|1,0,1]=4 3747 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,2,0,0,0,0|0,0,1]=3 3748 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,2,0,0,0,0|1,0,1]=4 3749 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,2,0,0,0,0|1,0,1]=4 3750 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,2,0,0,0,0|1,0,1]=4 3751 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,2,0,0,0,0|1,0,1]=4 3752 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,2,0,0,0,0|0,0,1]=3 3753 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,2,0,0,0,0|0,0,1]=3 3754 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,2,0,0,0,0|1,0,1]=4 3755 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,2,0,0,0,0|1,0,1]=4 3756 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,2,0,0,0,0|1,0,1]=4 3757 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,2,0,0,0,0|1,0,1]=4 3758 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,2,0,0,0,0|0,0,1]=3 3759 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,2,0,0,0,0|0,0,1]=3 3760 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,2,0,0,0,0|1,0,1]=4 3761 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,2,0,0,0,0|1,0,1]=4 3762 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,2,0,0,0,0|1,0,1]=4 3763 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,2,0,0,0,0|1,0,1]=4 3764 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,2,0,0,0,0|1,0,1]=4 3765 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,2,0,0,0,0|1,0,1]=4 3766 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,2,0,0,0,0|1,0,1]=4 3767 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,2,0,0,0,0|1,0,1]=4 3768 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,2,0,0,0,0|1,0,1]=4 3769 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,2,0,0,0,0|1,0,1]=4 3770 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,2,0,0,0,0|1,0,1]=4 3771 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,2,0,0,0,0|1,0,1]=4 3772 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,2,0,0,0,0|0,0,1]=3 3773 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,2,0,0,0,0|0,0,1]=3 3774 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,2,0,0,0,0|0,0,1]=3 3775 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,2,0,0,0,0|0,0,1]=3 3776 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,2,0,0,0,0|0,0,1]=3 3777 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,2,0,0,0,0|0,0,1]=3 3778 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,2,0,0,0,0|0,0,1]=3 3779 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,2,0,0,0,0|0,0,1]=3 3780 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,2,0,0,0,0|0,0,1]=3 3781 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,2,0,0,0,0|0,0,2]=4 3782 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,2,0,0,0,0|0,0,1]=3 3783 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,2,0,0,0,0|0,0,1]=3 3784 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,2,0,0,0,0|0,0,1]=3 3785 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,2,0,0,0,0|0,0,1]=3 3786 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,2,0,0,0,0|1,0,1]=4 3787 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,2,0,0,0,0|1,0,1]=4 3788 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,2,0,0,0,0|1,0,1]=4 3789 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,2,0,0,0,0|1,0,1]=4 3790 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,2,0,0,0,0|1,0,1]=4 3791 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,2,0,0,0,0|1,0,1]=4 3792 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,2,0,0,0,0|1,0,1]=4 3793 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,2,0,0,0,0|1,0,1]=4 3794 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,2,0,0,0,0|1,0,0]=3 3795 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,2,0,0,0,0|1,0,1]=4 3796 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,2,0,0,0,0|0,0,1]=3 3797 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,2,0,0,0,0|0,0,0]=2 3798 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,2,0,0,0,0|1,0,1]=4 3799 B9R0.13 C=CCCC(CC)C(=O)O MCULE-6019823383 [0,2,0,0,0,0|1,0,1]=4 3800 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [0,2,0,0,0,0|1,0,0]=3 3801 B9R0.13 CCC(OCCO)C(=O)O MCULE-6934668694 [0,2,0,0,0,0|2,0,0]=4 3802 B9R0.13 CCCC=C(C#N)C(=O)O MCULE-9407639881 [0,2,0,0,0,0|0,0,2]=4 3803 B9R0.13 CCCC=C(CC)C(=O)O MCULE-2193027210 [0,2,0,0,0,0|1,0,1]=4 3804 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [0,2,0,0,0,0|2,0,0]=4 3805 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [0,2,0,0,0,0|2,0,0]=4 3806 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [0,2,0,0,0,0|2,0,0]=4 3807 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [0,2,0,0,0,0|1,0,0]=3 3808 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [0,2,0,0,0,0|1,0,1]=4 3809 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [0,2,0,0,0,0|1,0,1]=4 3810 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [0,2,0,0,0,0|1,0,1]=4 3811 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,2,0,0,0,0|0,0,0]=2 3812 B9R0.13 CCCCC(CO)C(=O)C MCULE-8991511326 [0,2,0,0,0,0|2,0,0]=4 3813 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [0,2,0,0,0,0|1,0,0]=3 3814 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [0,2,0,0,0,0|1,0,0]=3 3815 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [0,2,0,0,0,0|0,0,0]=2 3816 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [0,2,0,0,0,0|1,0,0]=3 3817 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [0,2,0,0,0,0|1,0,0]=3 3818 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [0,2,0,0,0,0|1,0,0]=3 3819 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,2,0,0,0,0|0,0,0]=2 3820 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [0,2,0,0,0,0|1,0,0]=3 3821 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [0,2,0,0,0,0|1,0,0]=3 3822 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,2,0,0,0,0|0,0,0]=2 3823 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [0,2,0,0,0,0|1,0,0]=3 3824 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [0,2,0,0,0,0|1,0,0]=3 3825 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [0,2,0,0,0,0|0,0,0]=2 3826 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [0,2,0,0,0,0|0,0,0]=2 3827 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [0,2,0,0,0,0|0,0,0]=2 3828 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [0,2,0,0,0,0|0,0,0]=2 3829 B9R0.13 CCCOC(CC)C(=O)N MCULE-3706906733 [0,2,0,0,0,0|2,0,0]=4 3830 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [0,2,0,0,0,0|0,0,0]=2 3831 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [0,2,0,0,0,0|0,0,0]=2 3832 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [0,2,0,0,0,0|0,0,0]=2 3833 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [0,2,0,0,0,0|0,0,0]=2 3834 B9R0.13 COC(CCSC)C(=O)O MCULE-2968161259 [0,2,0,0,0,0|1,0,0]=3 3835 B9R0.13 CSCCC(N=[Se])C(=O)O MCULE-9506566313 [0,2,0,0,0,0|0,0,1]=3 3836 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,2,0,0,0,0|0,0,1]=3 3837 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,2,0,0,0,0|0,0,0]=2 3838 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,2,0,0,0,0|0,0,0]=2 3839 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,2,0,0,0,0|0,0,0]=2 3840 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [0,2,0,0,0,0|1,0,1]=4 3841 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [0,2,0,0,0,0|1,0,1]=4 3842 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,2,0,0,0,0|1,0,0]=3 3843 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,2,0,0,0,0|0,0,0]=2 3844 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,2,0,0,0,0|0,0,0]=2 3845 B9R0.42 CCC(C)NC(=O)C(=O)O MCULE-6488437367 [0,2,0,0,0,0|1,0,1]=4 3846 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,2,0,0,0,0|1,0,0]=3 3847 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,2,0,0,0,0|1,0,0]=3 3848 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,2,0,0,0,0|0,0,1]=3 3849 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,2,0,0,0,0|0,0,1]=3 3850 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,2,0,0,0,0|0,0,1]=3 3851 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,2,0,0,0,0|0,0,1]=3 3852 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,2,0,0,0,0|0,0,1]=3 3853 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,2,0,0,0,0|0,0,1]=3 3854 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,2,0,0,0,0|1,0,1]=4 3855 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,2,0,0,0,0|1,0,1]=4 3856 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,2,0,0,0,0|0,0,1]=3 3857 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,2,0,0,0,0|0,0,1]=3 3858 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,2,0,0,0,0|0,0,1]=3 3859 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,2,0,0,0,0|1,0,1]=4 3860 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,2,0,0,0,0|1,0,1]=4 3861 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,2,0,0,0,0|1,0,1]=4 3862 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,2,0,0,0,0|0,0,1]=3 3863 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,2,0,0,0,0|0,0,1]=3 3864 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,2,0,0,0,0|0,0,1]=3 3865 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,2,0,0,0,0|0,0,1]=3 3866 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,2,0,0,0,0|1,0,1]=4 3867 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,2,0,0,0,0|1,0,1]=4 3868 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,2,0,0,0,0|1,0,1]=4 3869 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,2,0,0,0,0|0,0,1]=3 3870 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,2,0,0,0,0|0,0,1]=3 3871 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,2,0,0,0,0|0,0,1]=3 3872 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,2,0,0,0,0|0,0,1]=3 3873 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,2,0,0,0,0|1,0,1]=4 3874 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [0,2,0,0,0,0|2,0,0]=4 3875 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,2,0,0,0,0|0,0,1]=3 3876 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,2,0,0,0,0|0,0,1]=3 3877 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,2,0,0,0,0|1,0,1]=4 3878 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [0,2,0,0,0,0|2,0,0]=4 3879 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [0,2,0,0,0,0|2,0,0]=4 3880 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [0,2,0,0,0,0|0,0,0]=2 3881 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [0,2,0,0,0,0|0,0,0]=2 3882 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [0,2,0,0,0,0|0,0,0]=2 3883 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [0,2,0,0,0,0|0,0,0]=2 3884 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [0,2,0,0,0,0|0,0,1]=3 3885 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [0,2,0,0,0,0|0,0,1]=3 3886 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [0,2,0,0,0,0|0,0,1]=3 3887 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,2,0,0,0,0|0,0,0]=2 3888 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [0,2,0,0,0,0|0,0,1]=3 3889 B9R0.47 C=CCCCC(C)C(=O)C MCULE-3594332716 [0,2,0,0,0,0|2,0,0]=4 3890 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [0,2,0,0,0,0|0,0,0]=2 3891 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [0,2,0,0,0,0|0,0,0]=2 3892 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [0,2,0,0,0,0|0,0,0]=2 3893 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [0,2,0,0,0,0|0,0,0]=2 3894 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [0,2,0,0,0,0|0,0,0]=2 3895 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [0,2,0,0,0,0|0,0,0]=2 3896 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [0,2,0,0,0,0|0,0,0]=2 3897 B9R0.47 C=CCCNC(C)C(=O)O MCULE-2164423879 [0,2,0,0,0,0|1,0,1]=4 3898 B9R0.47 C=CCCOC(C)C(=O)O MCULE-4921869592 [0,2,0,0,0,0|1,0,1]=4 3899 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [0,2,0,0,0,0|0,0,1]=3 3900 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [0,2,0,0,0,0|0,0,1]=3 3901 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [0,2,0,0,0,0|0,0,1]=3 3902 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [0,2,0,0,0,0|0,0,1]=3 3903 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [0,2,0,0,0,0|0,0,1]=3 3904 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [0,2,0,0,0,0|0,0,1]=3 3905 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [0,2,0,0,0,0|0,0,1]=3 3906 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [0,2,0,0,0,0|0,0,1]=3 3907 B9R0.47 CC(CSCCN)C(=O)O MCULE-8181129041 [0,2,0,0,0,0|1,0,0]=3 3908 B9R0.47 CC(CSCCN)C(=O)O MCULE-9927031234 [0,2,0,0,0,0|1,0,0]=3 3909 B9R0.47 CC(NCCC#N)C(=O)O MCULE-7314407236 [0,2,0,0,0,0|1,0,1]=4 3910 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [0,2,0,0,0,0|0,0,1]=3 3911 B9R0.47 CCCC=CC(O)C(=O)O MCULE-9096490162 [0,2,0,0,0,0|1,0,0]=3 3912 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [0,2,0,0,0,0|1,0,1]=4 3913 B9R0.47 CCCCCC(C)C(=O)C MCULE-8141962187 [0,2,0,0,0,0|2,0,0]=4 3914 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [0,2,0,0,0,0|1,0,0]=3 3915 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,2,0,0,0,0|0,0,0]=2 3916 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,2,0,0,0,0|0,0,0]=2 3917 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [0,2,0,0,0,0|1,0,0]=3 3918 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,2,0,0,0,0|0,0,0]=2 3919 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,2,0,0,0,0|0,0,0]=2 3920 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,2,0,0,0,0|0,0,0]=2 3921 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,2,0,0,0,0|0,0,0]=2 3922 B9R0.47 CCCCOC(C)C(=O)O MCULE-2711768240 [0,2,0,0,0,0|1,0,0]=3 3923 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [0,2,0,0,0,0|1,0,0]=3 3924 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,2,0,0,0,0|0,0,0]=2 3925 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,2,0,0,0,0|0,0,0]=2 3926 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,2,0,0,0,0|0,0,0]=2 3927 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,2,0,0,0,0|0,0,0]=2 3928 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,2,0,0,0,0|0,0,0]=2 3929 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,2,0,0,0,0|0,0,0]=2 3930 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,2,0,0,0,0|0,0,0]=2 3931 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,2,0,0,0,0|0,0,0]=2 3932 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,2,0,0,0,0|0,0,0]=2 3933 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [0,2,0,0,0,0|1,0,0]=3 3934 B9R0.47 COCCNC(C)C(=O)N MCULE-1475869974 [0,2,0,0,0,0|2,0,0]=4 3935 B9R0.47 COCCNC(C)C(=O)N MCULE-3132916689 [0,2,0,0,0,0|2,0,0]=4 3936 B9R0.47 COCCNC(C)C(=O)O MCULE-1762428923 [0,2,0,0,0,0|1,0,0]=3 3937 B9R0.47 COCCNC(C)C(=O)O MCULE-8532368084 [0,2,0,0,0,0|1,0,0]=3 3938 B9R0.47 COCCOC(C)C(=O)O MCULE-5271320344 [0,2,0,0,0,0|1,0,0]=3 3939 B9R0.47 CSCCOC(C)C(=O)O MCULE-2180057271 [0,2,0,0,0,0|1,0,0]=3 3940 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [0,2,0,0,0,0|0,0,0]=2 3941 B9R0.47 N#N=NCCC(N)C(=O)O MCULE-3306935085 [0,2,0,0,0,0|1,0,0]=3 3942 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-5611888169 [0,2,0,0,0,0|1,0,1]=4 3943 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-6448566029 [0,2,0,0,0,0|1,0,1]=4 3944 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,2,0,0,0,0|0,0,0]=2 3945 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [0,2,0,0,0,0|0,0,0]=2 3946 B9R0.47 NCC#CCC(N)C(=O)O MCULE-6095484409 [0,2,0,0,0,0|0,0,1]=3 3947 B9R0.47 NCC#CCC(N)C(=O)O MCULE-8713805302 [0,2,0,0,0,0|0,0,1]=3 3948 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [0,2,0,0,0,0|0,0,1]=3 3949 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [0,2,0,0,0,0|1,0,0]=3 3950 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [0,2,0,0,0,0|1,0,0]=3 3951 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,2,0,0,0,0|0,0,0]=2 3952 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,2,0,0,0,0|0,0,0]=2 3953 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,2,0,0,0,0|0,0,0]=2 3954 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,2,0,0,0,0|0,0,0]=2 3955 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,2,0,0,0,0|0,0,0]=2 3956 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,2,0,0,0,0|0,0,0]=2 3957 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,2,0,0,0,0|0,0,0]=2 3958 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,2,0,0,0,0|0,0,0]=2 3959 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,2,0,0,0,0|0,0,0]=2 3960 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [0,2,0,0,0,0|1,0,0]=3 3961 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [0,2,0,0,0,0|1,0,0]=3 3962 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [0,2,0,0,0,0|1,0,0]=3 3963 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [0,2,0,0,0,0|1,0,0]=3 3964 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,2,0,0,0,0|0,0,0]=2 3965 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,2,0,0,0,0|0,0,0]=2 3966 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,2,0,0,0,0|0,0,0]=2 3967 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,2,0,0,0,0|0,0,0]=2 3968 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,2,0,0,0,0|0,0,0]=2 3969 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,2,0,0,0,0|0,0,0]=2 3970 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,2,0,0,0,0|0,0,0]=2 3971 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,2,0,0,0,0|0,0,0]=2 3972 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,2,0,0,0,0|0,0,0]=2 3973 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,2,0,0,0,0|0,0,0]=2 3974 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,2,0,0,0,0|0,0,0]=2 3975 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [0,2,0,0,0,0|0,0,1]=3 3976 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [0,2,0,0,0,0|0,0,0]=2 3977 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [0,2,0,0,0,0|0,0,0]=2 3978 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [0,2,0,0,0,0|0,0,0]=2 3979 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [0,2,0,0,0,0|0,0,0]=2 3980 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [0,2,0,0,0,0|0,0,0]=2 3981 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [0,2,0,0,0,0|0,0,0]=2 3982 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [0,2,0,0,0,0|0,0,0]=2 3983 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [0,2,0,0,0,0|0,0,0]=2 3984 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [0,2,0,0,0,0|0,0,0]=2 3985 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [0,2,0,0,0,0|0,0,0]=2 3986 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [0,2,0,0,0,0|0,0,0]=2 3987 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [0,2,0,0,0,0|0,0,0]=2 3988 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [0,2,0,0,0,0|0,0,0]=2 3989 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [0,2,0,0,0,0|0,0,0]=2 3990 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,2,0,0,0,0|0,0,0]=2 3991 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,2,0,0,0,0|0,0,0]=2 3992 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [0,2,0,0,0,0|0,0,0]=2 3993 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [0,2,0,0,0,0|0,0,0]=2 3994 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [0,2,0,0,0,0|0,0,0]=2 3995 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [0,2,0,0,0,0|0,0,0]=2 3996 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [0,2,0,0,0,0|1,0,0]=3 3997 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [0,2,0,0,0,0|0,0,0]=2 3998 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [0,2,0,0,0,0|0,0,0]=2 3999 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [0,2,0,0,0,0|1,0,0]=3 4000 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,2,0,0,0,0|0,0,0]=2 4001 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,2,0,0,0,0|0,0,0]=2 4002 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,2,0,0,0,0|0,0,0]=2 4003 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [0,2,0,0,0,0|0,0,1]=3 4004 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O MCULE-3468296516 [0,2,0,0,0,0|1,0,0]=3 4005 B9R0.47 [N-]=[N+]=NCC[C@@H]([NH3+])C(=O)O MCULE-9960871536 [0,2,0,0,0,0|1,0,1]=4 4006 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-3922595405 [0,2,0,0,0,0|1,0,0]=3 4007 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-4625957807 [0,2,0,0,0,0|1,0,0]=3 4008 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-5294285117 [0,2,0,0,0,0|1,0,0]=3 4009 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-6236286481 [0,2,0,0,0,0|1,0,0]=3 4010 B9R0.47 [N-]=[N+]=NCC[C@H](O)C(=O)O MCULE-6077907887 [0,2,0,0,0,0|2,0,0]=4 4011 B9R0.47 [N-]=[N+]=NCC[C@H]([NH3+])C(=O)O MCULE-9804764124 [0,2,0,0,0,0|1,0,1]=4 4012 B9R0.47 [NH3+][C@@H](CSCCO)C(=O)[O-] MCULE-6668183133 [0,2,0,0,0,0|0,0,2]=4 4013 B9R0.51 C=CCCC(C)(C)C(=O)O MCULE-1492058519 [0,2,0,0,0,0|1,0,1]=4 4014 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [0,2,0,0,0,0|0,0,1]=3 4015 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [0,2,0,0,0,0|0,0,1]=3 4016 B9R0.51 CC(C)(CCC#N)C(=O)O MCULE-6179801954 [0,2,0,0,0,0|1,0,1]=4 4017 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [0,2,0,0,0,0|1,0,0]=3 4018 B9R0.51 CC(C)(CCCO)C(=O)[O-] MCULE-7948640149 [0,2,0,0,0,0|1,0,1]=4 4019 B9R0.51 CC(C)(OCCO)C(=O)O MCULE-7350629526 [0,2,0,0,0,0|2,0,0]=4 4020 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [0,2,0,0,0,0|0,0,0]=2 4021 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [0,2,0,0,0,0|0,0,0]=2 4022 B9R0.51 CCCCC(C)(C)C(=O)C MCULE-3392309275 [0,2,0,0,0,0|2,0,0]=4 4023 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [0,2,0,0,0,0|1,0,0]=3 4024 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [0,2,0,0,0,0|1,0,0]=3 4025 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,2,0,0,0,0|1,0,0]=3 4026 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [0,2,0,0,0,0|1,0,0]=3 4027 B9R0.51 CCOCC(C)(C)C(=O)O MCULE-3248915686 [0,2,0,0,0,0|1,0,0]=3 4028 B9R0.51 COCCC(C)(C)C(=O)O MCULE-6792174270 [0,2,0,0,0,0|1,0,0]=3 4029 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [0,2,0,0,0,0|0,0,0]=2 4030 B9R0.11 C=C(C)CC(C)(C)C(=O)O MCULE-2137357994 [0,2,0,0,0,0|1,0,1]=4 4031 B9R0.11 CC(=O)C(C)(O)CC(C)C MCULE-5996885507 [0,2,0,0,0,0|2,0,0]=4 4032 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,2,0,0,0,0|1,0,1]=4 4033 B9R0.11 CC(C)(CC(F)F)C(=O)O MCULE-9712340050 [0,2,0,0,0,0|2,0,0]=4 4034 B9R0.11 CC(C)CC(C)(C)C(=O)O MCULE-1527618443 [0,2,0,0,0,0|1,0,0]=3 4035 B9R0.11 CC(C)CC(C)(F)C(=O)O MCULE-9239880064 [0,2,0,0,0,0|1,0,0]=3 4036 B9R0.11 CC(C)CC(C)(N)C(=O)N MCULE-8569516764 [0,2,0,0,0,0|1,0,0]=3 4037 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-4257632982 [0,2,0,0,0,0|0,0,0]=2 4038 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-6991659149 [0,2,0,0,0,0|0,0,0]=2 4039 B9R0.11 CC(C)CC(C)(O)C(=O)O MCULE-6600862818 [0,2,0,0,0,0|1,0,0]=3 4040 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-4712290479 [0,2,0,0,0,0|0,0,0]=2 4041 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-9085844136 [0,2,0,0,0,0|0,0,0]=2 4042 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-6073129801 [0,2,0,0,0,0|0,0,0]=2 4043 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-7162987343 [0,2,0,0,0,0|0,0,0]=2 4044 B9R0.11 CC(C)OC(C)(C)C(=O)O MCULE-3543109943 [0,2,0,0,0,0|2,0,0]=4 4045 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,2,0,0,0,0|1,0,1]=4 4046 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,2,0,0,0,0|1,0,1]=4 4047 B9R0.11 CN(C)CC(C)(C)C(=O)O MCULE-1142687176 [0,2,0,0,0,0|2,0,0]=4 4048 B9R0.11 CN(C)CC(C)(C)C(=O)O MCULE-8506830964 [0,2,0,0,0,0|2,0,0]=4 4049 B9R0.11 CN(C)CC(C)(N)C(=O)O MCULE-4857565953 [0,2,0,0,0,0|1,0,0]=3 4050 B9R0.11 CN(C)CC(F)(F)C(=O)O MCULE-6957780548 [0,2,0,0,0,0|2,0,0]=4 4051 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,2,0,0,0,0|1,0,1]=4 4052 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,2,0,0,0,0|1,0,1]=4 4053 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,2,0,0,0,0|1,0,1]=4 4054 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,2,0,0,0,0|1,0,1]=4 4055 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,2,0,0,0,0|1,0,1]=4 4056 B9R0.74 CCC(N)(COC)C(=O)O MCULE-1112258412 [0,2,0,0,0,0|1,0,0]=3 4057 B9R0.74 CCC(N)(COC)C(=O)O MCULE-3146530110 [0,2,0,0,0,0|1,0,0]=3 4058 B9R0.74 CCCC(C)(CC)C(=O)C MCULE-3275508969 [0,2,0,0,0,0|2,0,0]=4 4059 B9R0.74 CCCC(C)(CC)C(=O)O MCULE-2557760328 [0,2,0,0,0,0|1,0,0]=3 4060 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-2758260935 [0,2,0,0,0,0|0,0,0]=2 4061 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-6297600490 [0,2,0,0,0,0|0,0,0]=2 4062 B9R0.74 CNC(C)(COC)C(=O)O MCULE-1951800408 [0,2,0,0,0,0|1,0,0]=3 4063 B9R0.74 CNC(C)(COC)C(=O)O MCULE-6037506715 [0,2,0,0,0,0|1,0,0]=3 4064 B9R0.74 COCC(C)(OC)C(=O)O MCULE-5307101549 [0,2,0,0,0,0|2,0,0]=4 4065 B9R0.10 CC(C)CC(N)S(=O)(=O)O MCULE-1533349603 [0,2,0,0,0,0|1,0,0]=3 4066 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O MCULE-4058698477 [0,2,0,0,0,0|1,0,0]=3 4067 B9R0.15 C=CCC(CCC)C(=O)O MCULE-5379398676 [0,2,0,0,0,0|1,0,0]=3 4068 B9R0.15 CCC=C(CCC)C(=O)O MCULE-6379126755 [0,2,0,0,0,0|1,0,1]=4 4069 B9R0.15 CCCC(CCC)C(=O)C MCULE-3853377484 [0,2,0,0,0,0|2,0,0]=4 4070 B9R0.15 CCCC(CCC)C(=O)Cl MCULE-4979211332 [0,2,0,0,0,0|2,0,0]=4 4071 B9R0.15 CCCC(CCC)C(=O)N MCULE-7316825141 [0,2,0,0,0,0|2,0,0]=4 4072 B9R0.15 CCCC(CCC)C(=O)O MCULE-7136317196 [0,2,0,0,0,0|1,0,0]=3 4073 B9R0.15 CCCC(CCC)C(=O)[O-] MCULE-4799083200 [0,2,0,0,0,0|1,0,1]=4 4074 B9R0.15 CCCC(NC=O)C(=O)O MCULE-7516123408 [0,2,0,0,0,0|0,0,0]=2 4075 B9R0.15 CCCC(OCC)C(=O)O MCULE-7197686501 [0,2,0,0,0,0|1,0,0]=3 4076 B9R0.15 CCCC(SCC)C(=O)[O-] MCULE-3750013296 [0,2,0,0,0,0|1,0,1]=4 4077 B9R0.15 CCCC(SCC)C(=O)[O-] MCULE-5882369366 [0,2,0,0,0,0|1,0,1]=4 4078 B9R0.15 CCNC(CCN)C(=O)N MCULE-3086906812 [0,2,0,0,0,0|2,0,0]=4 4079 B9R0.15 CCOC(OCC)C(=O)O MCULE-9319913793 [0,2,0,0,0,0|2,0,0]=4 4080 B9R0.15 COCC(COC)C(=O)O MCULE-6082875325 [0,2,0,0,0,0|2,0,0]=4 4081 B9R0.15 COCC(N=N#N)C(=O)O MCULE-4015185594 [0,2,0,0,0,0|1,0,1]=4 4082 B9R0.15 NCCC(CCN)C(=O)O MCULE-3747615668 [0,2,0,0,0,0|1,0,0]=3 4083 B9R0.15 NCCC(CCN)C(=O)O MCULE-8055618051 [0,2,0,0,0,0|1,0,0]=3 4084 B9R0.33 C=CCC(C(=O)O)N(C)C MCULE-4850155708 [0,2,0,0,0,0|0,0,2]=4 4085 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-5177043751 [0,2,0,0,0,0|2,0,0]=4 4086 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-7075545898 [0,2,0,0,0,0|2,0,0]=4 4087 B9R0.33 CCCC(C(=O)N)N(C)C MCULE-4951647411 [0,2,0,0,0,0|1,0,0]=3 4088 B9R0.33 CCCC(C(=O)O)C(=O)O MCULE-5699074158 [0,2,0,0,0,0|1,0,0]=3 4089 B9R0.33 CCCC(C(=O)O)C(C)C MCULE-9298455866 [0,2,0,0,0,0|1,0,0]=3 4090 B9R0.33 CCCC(C(=O)O)N(C)C MCULE-1361270877 [0,2,0,0,0,0|0,0,0]=2 4091 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-5821588618 [0,2,0,0,0,0|0,0,0]=2 4092 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-6045614611 [0,2,0,0,0,0|0,0,0]=2 4093 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-3627937276 [0,2,0,0,0,0|0,0,0]=2 4094 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-6264285545 [0,2,0,0,0,0|0,0,0]=2 4095 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-2742420034 [0,2,0,0,0,0|2,0,0]=4 4096 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-6750636271 [0,2,0,0,0,0|2,0,0]=4 4097 B9R0.33 CCOC(C(=O)O)C(C)C MCULE-7127552205 [0,2,0,0,0,0|2,0,0]=4 4098 B9R0.33 CCSC(C(=O)O)C(C)C MCULE-3558131875 [0,2,0,0,0,0|2,0,0]=4 4099 B9R0.33 CN(C)C(CCN)C(=O)N MCULE-2767580456 [0,2,0,0,0,0|2,0,0]=4 4100 B9R0.33 CN(C)C(CCN)C(=O)O MCULE-8339128470 [0,2,0,0,0,0|1,0,0]=3 4101 B9R0.33 CN(C)[C@@H](CCN)C(=O)O MCULE-1062850066 [0,2,0,0,0,0|1,0,0]=3 4102 B9R0.33 CN(C)[C@@H](CCN)C(=O)O MCULE-3495896981 [0,2,0,0,0,0|1,0,0]=3 4103 B9R0.33 CN(C)[C@@H](CCO)C(=O)O MCULE-5311348966 [0,2,0,0,0,0|1,0,0]=3 4104 B9R0.33 COCC(C(=O)O)N(C)C MCULE-4810605036 [0,2,0,0,0,0|1,0,0]=3 4105 B9R0.33 COCC(C(=O)O)N(C)C MCULE-7502849046 [0,2,0,0,0,0|1,0,0]=3 4106 B9R0.39 CC(C)CC(C#N)C(=O)O MCULE-2645522679 [0,2,0,0,0,0|0,0,1]=3 4107 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [0,2,0,0,0,0|0,0,0]=2 4108 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [0,2,0,0,0,0|0,0,0]=2 4109 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [0,2,0,0,0,0|0,0,0]=2 4110 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [0,2,0,0,0,0|0,0,0]=2 4111 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [0,2,0,0,0,0|0,0,0]=2 4112 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [0,2,0,0,0,0|0,0,0]=2 4113 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [0,2,0,0,0,0|0,0,0]=2 4114 B9R0.39 CC(C)C[C@@H](CO)C(=O)O MCULE-8614733501 [0,2,0,0,0,0|1,0,0]=3 4115 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [0,2,0,0,0,0|0,0,0]=2 4116 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [0,2,0,0,0,0|0,0,0]=2 4117 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [0,2,0,0,0,0|0,0,0]=2 4118 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [0,2,0,0,0,0|0,0,0]=2 4119 B9R0.39 CC(C)C[C@H](CO)C(=O)O MCULE-3078607450 [0,2,0,0,0,0|1,0,0]=3 4120 B9R0.39 CCC(CC(C)C)C(=O)O MCULE-5215518236 [0,2,0,0,0,0|1,0,0]=3 4121 B9R0.39 CCC(CC(F)F)C(=O)O MCULE-2440123997 [0,2,0,0,0,0|2,0,0]=4 4122 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [0,2,0,0,0,0|2,0,0]=4 4123 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [0,2,0,0,0,0|2,0,0]=4 4124 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,2,0,0,0,0|1,0,1]=4 4125 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-4940999271 [0,2,0,0,0,0|0,0,0]=2 4126 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-7266045564 [0,2,0,0,0,0|0,0,0]=2 4127 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,2,0,0,0,0|1,0,1]=4 4128 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,2,0,0,0,0|1,0,1]=4 4129 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,2,0,0,0,0|1,0,1]=4 4130 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,2,0,0,0,0|1,0,1]=4 4131 B9R0.39 CN[C@@H](CC(C)C)C(=O)N MCULE-7907533997 [0,2,0,0,0,0|1,0,0]=3 4132 B9R0.39 CN[C@@H](CC(C)C)C(=O)N MCULE-8591020499 [0,2,0,0,0,0|1,0,0]=3 4133 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-2758691344 [0,2,0,0,0,0|0,0,0]=2 4134 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-3349649810 [0,2,0,0,0,0|0,0,0]=2 4135 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-4487326533 [0,2,0,0,0,0|0,0,0]=2 4136 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-7740057854 [0,2,0,0,0,0|0,0,0]=2 4137 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,2,0,0,0,0|1,0,1]=4 4138 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,2,0,0,0,0|1,0,1]=4 4139 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,2,0,0,0,0|1,0,1]=4 4140 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,2,0,0,0,0|1,0,1]=4 4141 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2279011654 [0,2,0,0,0,0|0,0,0]=2 4142 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2290136385 [0,2,0,0,0,0|0,0,0]=2 4143 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2552934491 [0,2,0,0,0,0|0,0,0]=2 4144 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-8319051174 [0,2,0,0,0,0|0,0,0]=2 4145 B9R0.39 COC(CC(C)C)C(=O)O MCULE-4497994493 [0,2,0,0,0,0|1,0,0]=3 4146 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,2,0,0,0,0|1,0,1]=4 4147 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,2,0,0,0,0|1,0,1]=4 4148 B9R0.57 CC(C)(C)CC(=O)C(=O)O MCULE-5877446185 [0,2,0,0,0,0|1,0,1]=4 4149 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-1846409149 [0,2,0,0,0,0|0,0,0]=2 4150 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6496394437 [0,2,0,0,0,0|0,0,0]=2 4151 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6507277407 [0,2,0,0,0,0|0,0,0]=2 4152 B9R0.57 CC(C)(C)CC(O)C(=O)O MCULE-2158861127 [0,2,0,0,0,0|1,0,0]=3 4153 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-6215032420 [0,2,0,0,0,0|0,0,0]=2 4154 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-8005575699 [0,2,0,0,0,0|0,0,0]=2 4155 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-1515081556 [0,2,0,0,0,0|0,0,0]=2 4156 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-3358775275 [0,2,0,0,0,0|0,0,0]=2 4157 B9R0.57 CC(C)(F)CC(N)C(=O)O MCULE-2499553394 [0,2,0,0,0,0|0,0,0]=2 4158 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-2670827731 [0,2,0,0,0,0|0,0,0]=2 4159 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-7946625431 [0,2,0,0,0,0|0,0,0]=2 4160 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] MCULE-2378112153 [0,2,0,0,0,0|0,0,1]=3 4161 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] MCULE-2969041989 [0,2,0,0,0,0|0,0,1]=3 4162 B9R0.57 CC(CC(C)(C)C)C(=O)O MCULE-1654401215 [0,2,0,0,0,0|1,0,0]=3 4163 B9R0.57 CC(CC(C)(C)N)C(=O)O MCULE-2497907613 [0,2,0,0,0,0|1,0,0]=3 4164 B9R0.57 CC(CC(C)(C)N)C(=O)O MCULE-7900482158 [0,2,0,0,0,0|1,0,0]=3 4165 B9R0.57 CC(CC(F)(F)F)C(=O)O MCULE-6748667600 [0,2,0,0,0,0|2,0,0]=4 4166 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [0,2,0,0,0,0|2,0,0]=4 4167 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8104914924 [0,2,0,0,0,0|2,0,0]=4 4168 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8686537841 [0,2,0,0,0,0|2,0,0]=4 4169 B9R0.57 CC(OC(C)(C)C)C(=O)O MCULE-8310959538 [0,2,0,0,0,0|2,0,0]=4 4170 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [0,2,0,0,0,0|1,0,0]=3 4171 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [0,2,0,0,0,0|1,0,0]=3 4172 B9R0.57 C[C@H](CC(F)(F)F)C(=O)O MCULE-8212277158 [0,2,0,0,0,0|2,0,0]=4 4173 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O MCULE-5057039244 [0,2,0,0,0,0|0,1,0]=3 4174 B9R0.57 NC(CC(F)(F)F)C(=O)O MCULE-4670432872 [0,2,0,0,0,0|1,0,0]=3 4175 B9R0.57 NC(CC(F)(F)F)C(=O)O MCULE-7906484739 [0,2,0,0,0,0|1,0,0]=3 4176 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,2,0,0,0,0|2,0,0]=4 4177 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,2,0,0,0,0|2,0,0]=4 4178 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,2,0,0,0,0|2,0,0]=4 4179 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-3474800558 [0,2,0,0,0,0|1,0,0]=3 4180 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-5230934404 [0,2,0,0,0,0|1,0,0]=3 4181 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-6065207677 [0,2,0,0,0,0|1,0,0]=3 4182 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-6989845390 [0,2,0,0,0,0|1,0,0]=3 4183 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,2,0,0,0,0|2,0,0]=4 4184 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,2,0,0,0,0|2,0,0]=4 4185 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,2,0,0,0,0|2,0,0]=4 4186 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-1211212478 [0,2,0,0,0,0|1,0,0]=3 4187 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-1864367361 [0,2,0,0,0,0|1,0,0]=3 4188 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-4616647635 [0,2,0,0,0,0|1,0,0]=3 4189 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-6212697927 [0,2,0,0,0,0|1,0,0]=3 4190 B9R0.57 O=C(O)C(Br)CC(F)(F)F MCULE-6413329978 [0,2,0,0,0,0|2,0,0]=4 4191 B9R0.57 O=C(O)C(F)CC(F)(F)F MCULE-5090835582 [0,2,0,0,0,0|2,0,0]=4 4192 B9R0.57 O=C(O)C(O)CC(F)(F)F MCULE-8723427671 [0,2,0,0,0,0|2,0,0]=4 4193 B7R1.1 BrCC1CCCN1 MCULE-2152950124 [1,0,0,1,0,0|1,0,1]=4 4194 B7R1.1 BrCC1CCCN1 MCULE-6083580584 [1,0,0,1,0,0|1,0,1]=4 4195 B7R1.1 BrCC1CCCN1 MCULE-8116807965 [1,0,0,1,0,0|1,0,1]=4 4196 B7R1.1 BrC[C@@H]1CCCN1 MCULE-2609238545 [1,0,0,1,0,0|1,0,1]=4 4197 B7R1.1 BrC[C@@H]1CCCN1 MCULE-4300877722 [1,0,0,1,0,0|1,0,1]=4 4198 B7R1.1 BrC[C@@H]1CCCN1 MCULE-7501559292 [1,0,0,1,0,0|1,0,1]=4 4199 B7R1.1 BrC[C@@H]1CCCN1 MCULE-9528927495 [1,0,0,1,0,0|1,0,1]=4 4200 B7R1.1 C#CC1CCCN1 MCULE-2312235714 [1,0,0,1,0,0|1,0,1]=4 4201 B7R1.1 C#CC1CCCN1 MCULE-2368649911 [1,0,0,1,0,0|1,0,1]=4 4202 B7R1.1 C#C[C@@H]1CCCN1 MCULE-1635908608 [1,0,0,1,0,0|1,0,1]=4 4203 B7R1.1 C#C[C@@H]1CCCN1 MCULE-4766446168 [1,0,0,1,0,0|1,0,1]=4 4204 B7R1.1 C#C[C@@H]1CCCN1 MCULE-7265052825 [1,0,0,1,0,0|1,0,1]=4 4205 B7R1.1 C#C[C@@H]1CCCN1 MCULE-8496158135 [1,0,0,1,0,0|1,0,1]=4 4206 B7R1.1 C#C[C@H]1CCCN1 MCULE-1874586489 [1,0,0,1,0,0|1,0,1]=4 4207 B7R1.1 C#C[C@H]1CCCN1 MCULE-8338634355 [1,0,0,1,0,0|1,0,1]=4 4208 B7R1.1 C1(CCCN1)CF MCULE-2705678622 [1,0,0,1,0,0|1,0,1]=4 4209 B7R1.1 C1(CCCN1)CF MCULE-3175080744 [1,0,0,1,0,0|1,0,1]=4 4210 B7R1.1 C1(CCCN1)CN MCULE-3568349121 [1,0,0,1,0,0|1,0,1]=4 4211 B7R1.1 C1(CCCN1)CN MCULE-9944820727 [1,0,0,1,0,0|1,0,1]=4 4212 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [1,0,0,1,0,0|0,0,1]=3 4213 B7R1.1 C=CC1CCCC1 MCULE-6144532155 [1,0,0,1,0,0|2,0,0]=4 4214 B7R1.1 C=CC1CCCN1 MCULE-5736974496 [1,0,0,1,0,0|1,0,0]=3 4215 B7R1.1 C=CC1CCCN1 MCULE-7626074228 [1,0,0,1,0,0|1,0,0]=3 4216 B7R1.1 CCC1CCCN1 MCULE-1775351089 [1,0,0,1,0,0|1,0,1]=4 4217 B7R1.1 CCC1CCCN1 MCULE-2065682250 [1,0,0,1,0,0|1,0,1]=4 4218 B7R1.1 CCC1CCCN1 MCULE-8326168982 [1,0,0,1,0,0|1,0,1]=4 4219 B7R1.1 CCC1CCCN1 MCULE-9831560442 [1,0,0,1,0,0|1,0,1]=4 4220 B7R1.1 CC[C@@H]1CCCN1 MCULE-1829706908 [1,0,0,1,0,0|1,0,1]=4 4221 B7R1.1 CC[C@@H]1CCCN1 MCULE-6310895621 [1,0,0,1,0,0|1,0,1]=4 4222 B7R1.1 CC[C@@H]1CCCN1 MCULE-6770634475 [1,0,0,1,0,0|1,0,1]=4 4223 B7R1.1 CC[C@@H]1CCCN1 MCULE-9259891597 [1,0,0,1,0,0|1,0,1]=4 4224 B7R1.1 CC[C@H]1CCCN1 MCULE-2347458277 [1,0,0,1,0,0|1,0,1]=4 4225 B7R1.1 CC[C@H]1CCCN1 MCULE-3796565634 [1,0,0,1,0,0|1,0,1]=4 4226 B7R1.1 CC[C@H]1CCCN1 MCULE-6193768639 [1,0,0,1,0,0|1,0,1]=4 4227 B7R1.1 CC[C@H]1CCCN1 MCULE-9679619003 [1,0,0,1,0,0|1,0,1]=4 4228 B7R1.1 ClCC1CCCN1 MCULE-3656101962 [1,0,0,1,0,0|1,0,1]=4 4229 B7R1.1 ClCC1CCCN1 MCULE-9792407426 [1,0,0,1,0,0|1,0,1]=4 4230 B7R1.1 ClC[C@@H]1CCCN1 MCULE-1712418178 [1,0,0,1,0,0|1,0,1]=4 4231 B7R1.1 ClC[C@@H]1CCCN1 MCULE-2092217865 [1,0,0,1,0,0|1,0,1]=4 4232 B7R1.1 ClC[C@@H]1CCCN1 MCULE-4473753787 [1,0,0,1,0,0|1,0,1]=4 4233 B7R1.1 ClC[C@@H]1CCCN1 MCULE-9545872560 [1,0,0,1,0,0|1,0,1]=4 4234 B7R1.1 ClC[C@H]1CCCN1 MCULE-1186865731 [1,0,0,1,0,0|1,0,1]=4 4235 B7R1.1 ClC[C@H]1CCCN1 MCULE-3107383611 [1,0,0,1,0,0|1,0,1]=4 4236 B7R1.1 FCC1CCCN1 MCULE-3216030316 [1,0,0,1,0,0|1,0,1]=4 4237 B7R1.1 FCC1CCCN1 MCULE-4540803550 [1,0,0,1,0,0|1,0,1]=4 4238 B7R1.1 FC[C@@H]1CCCN1 MCULE-2463314208 [1,0,0,1,0,0|1,0,1]=4 4239 B7R1.1 FC[C@@H]1CCCN1 MCULE-3740139569 [1,0,0,1,0,0|1,0,1]=4 4240 B7R1.1 FC[C@@H]1CCCN1 MCULE-6899304468 [1,0,0,1,0,0|1,0,1]=4 4241 B7R1.1 FC[C@@H]1CCCN1 MCULE-9916936373 [1,0,0,1,0,0|1,0,1]=4 4242 B7R1.1 FC[C@H]1CCCN1 MCULE-1380365453 [1,0,0,1,0,0|1,0,1]=4 4243 B7R1.1 FC[C@H]1CCCN1 MCULE-1512160666 [1,0,0,1,0,0|1,0,1]=4 4244 B7R1.1 FC[C@H]1CCCN1 MCULE-2904385734 [1,0,0,1,0,0|1,0,1]=4 4245 B7R1.1 FC[C@H]1CCCN1 MCULE-9837641384 [1,0,0,1,0,0|1,0,1]=4 4246 B7R1.1 ICC1CCCN1 MCULE-3467617934 [1,0,0,1,0,0|1,0,1]=4 4247 B7R1.1 ICC1CCCN1 MCULE-7784862806 [1,0,0,1,0,0|1,0,1]=4 4248 B7R1.1 IC[C@@H]1CCCN1 MCULE-4843756038 [1,0,0,1,0,0|1,0,1]=4 4249 B7R1.1 IC[C@@H]1CCCN1 MCULE-8213667136 [1,0,0,1,0,0|1,0,1]=4 4250 B7R1.1 N#CC1CCCN1 MCULE-1423410021 [1,0,0,1,0,0|1,0,1]=4 4251 B7R1.1 N#CC1CCCN1 MCULE-2656253866 [1,0,0,1,0,0|1,0,1]=4 4252 B7R1.1 N#CC1CCCN1 MCULE-4406196575 [1,0,0,1,0,0|1,0,1]=4 4253 B7R1.1 N#CC1CCCN1 MCULE-7456938108 [1,0,0,1,0,0|1,0,1]=4 4254 B7R1.1 N#CC1CCCN1 MCULE-7786777677 [1,0,0,1,0,0|1,0,1]=4 4255 B7R1.1 N#CC1CCCN1 MCULE-9566371551 [1,0,0,1,0,0|1,0,1]=4 4256 B7R1.1 N#C[C@@H]1CCCN1 MCULE-4099952481 [1,0,0,1,0,0|1,0,1]=4 4257 B7R1.1 N#C[C@@H]1CCCN1 MCULE-4644423856 [1,0,0,1,0,0|1,0,1]=4 4258 B7R1.1 N#C[C@@H]1CCCN1 MCULE-5675394665 [1,0,0,1,0,0|1,0,1]=4 4259 B7R1.1 N#C[C@@H]1CCCN1 MCULE-5881469353 [1,0,0,1,0,0|1,0,1]=4 4260 B7R1.1 N#C[C@@H]1CCCN1 MCULE-8875516240 [1,0,0,1,0,0|1,0,1]=4 4261 B7R1.1 N#C[C@@H]1CCCN1 MCULE-9993553976 [1,0,0,1,0,0|1,0,1]=4 4262 B7R1.1 N#C[C@H]1CCCN1 MCULE-4472756314 [1,0,0,1,0,0|1,0,1]=4 4263 B7R1.1 N#C[C@H]1CCCN1 MCULE-6157392186 [1,0,0,1,0,0|1,0,1]=4 4264 B7R1.1 N#C[C@H]1CCCN1 MCULE-6672062231 [1,0,0,1,0,0|1,0,1]=4 4265 B7R1.1 N#C[C@H]1CCCN1 MCULE-7774660242 [1,0,0,1,0,0|1,0,1]=4 4266 B7R1.1 N#C[C@H]1CCCN1 MCULE-7910694136 [1,0,0,1,0,0|1,0,1]=4 4267 B7R1.1 N#C[C@H]1CCCN1 MCULE-8564583246 [1,0,0,1,0,0|1,0,1]=4 4268 B7R1.1 NCC1CCCN1 MCULE-4764684364 [1,0,0,1,0,0|1,0,1]=4 4269 B7R1.1 NCC1CCCN1 MCULE-8971980286 [1,0,0,1,0,0|1,0,1]=4 4270 B7R1.1 NC[C@@H]1CCCN1 MCULE-4726727563 [1,0,0,1,0,0|1,0,1]=4 4271 B7R1.1 NC[C@@H]1CCCN1 MCULE-7513400460 [1,0,0,1,0,0|1,0,1]=4 4272 B7R1.1 NC[C@@H]1CCCN1 MCULE-7622329174 [1,0,0,1,0,0|1,0,1]=4 4273 B7R1.1 NC[C@@H]1CCCN1 MCULE-8573395464 [1,0,0,1,0,0|1,0,1]=4 4274 B7R1.1 NC[C@H]1CCCN1 MCULE-2813912286 [1,0,0,1,0,0|1,0,1]=4 4275 B7R1.1 NC[C@H]1CCCN1 MCULE-5505144820 [1,0,0,1,0,0|1,0,1]=4 4276 B7R1.1 NC[C@H]1CCCN1 MCULE-7325312327 [1,0,0,1,0,0|1,0,1]=4 4277 B7R1.1 NC[C@H]1CCCN1 MCULE-7708925831 [1,0,0,1,0,0|1,0,1]=4 4278 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [1,0,0,1,0,0|1,0,1]=4 4279 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,0,0,1,0,0|1,0,1]=4 4280 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [1,0,0,1,0,0|1,0,0]=3 4281 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [1,0,0,1,0,0|1,0,0]=3 4282 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [1,0,0,1,0,0|2,0,0]=4 4283 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [1,0,0,1,0,0|2,0,0]=4 4284 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [1,0,0,1,0,0|2,0,0]=4 4285 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [1,0,0,1,0,0|2,0,0]=4 4286 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [1,0,0,1,0,0|2,0,0]=4 4287 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [1,0,0,1,0,0|2,0,0]=4 4288 B7R1.1 OCC1CCCC1 MCULE-2985338933 [1,0,0,1,0,0|1,0,1]=4 4289 B7R1.1 OCC1CCCN1 MCULE-1016922679 [1,0,0,1,0,0|0,0,1]=3 4290 B7R1.1 OCC1CCCN1 MCULE-8224535891 [1,0,0,1,0,0|0,0,1]=3 4291 B7R1.1 OCC1CCCO1 MCULE-5877114547 [1,0,0,1,0,0|1,0,1]=4 4292 B7R1.1 OCC1CCCO1 MCULE-5884880244 [1,0,0,1,0,0|1,0,1]=4 4293 B7R1.1 OCC1CCCS1 MCULE-6106081414 [1,0,0,1,0,0|1,0,1]=4 4294 B7R1.1 OCC1CCON1 MCULE-1199975481 [1,0,0,1,0,0|1,0,1]=4 4295 B7R1.1 OCC1CCON1 MCULE-4772487016 [1,0,0,1,0,0|1,0,1]=4 4296 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [1,0,0,1,0,0|0,0,1]=3 4297 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [1,0,0,1,0,0|0,0,1]=3 4298 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [1,0,0,1,0,0|0,0,1]=3 4299 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [1,0,0,1,0,0|0,0,1]=3 4300 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [1,0,0,1,0,0|1,0,1]=4 4301 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [1,0,0,1,0,0|1,0,1]=4 4302 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [1,0,0,1,0,0|0,0,1]=3 4303 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [1,0,0,1,0,0|0,0,1]=3 4304 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [1,0,0,1,0,0|0,0,1]=3 4305 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [1,0,0,1,0,0|0,0,1]=3 4306 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [1,0,0,1,0,0|1,0,1]=4 4307 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [1,0,0,1,0,0|1,0,1]=4 4308 B7R1.1 ONC1CCCC1 MCULE-1143510043 [1,0,0,1,0,0|2,0,0]=4 4309 B7R1.1 ONC1CCCC1 MCULE-7548854169 [1,0,0,1,0,0|2,0,0]=4 4310 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [1,0,0,1,0,0|1,0,1]=4 4311 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [1,0,0,1,0,0|0,0,1]=3 4312 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [1,0,0,1,0,0|0,0,1]=3 4313 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [1,0,0,1,0,0|1,0,1]=4 4314 B7R1.2 CC1CC(CS1)N MCULE-2886562999 [1,0,0,1,0,0|0,1,1]=4 4315 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [1,0,0,1,0,0|1,0,1]=4 4316 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [1,0,0,1,0,0|1,0,1]=4 4317 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [1,0,0,1,0,0|1,0,1]=4 4318 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [1,0,0,1,0,0|1,0,1]=4 4319 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [1,0,0,1,0,0|1,0,1]=4 4320 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [1,0,0,1,0,0|1,0,1]=4 4321 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [1,0,0,1,0,0|2,0,0]=4 4322 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [1,0,0,1,0,0|2,0,0]=4 4323 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [1,0,0,1,0,0|2,0,0]=4 4324 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [1,0,0,1,0,0|2,0,0]=4 4325 B7R1.3 BrC1=COCCC1 MCULE-7754503978 [1,0,0,1,0,0|1,0,1]=4 4326 B7R1.3 BrC1C=CCCC1 MCULE-1210573604 [1,0,0,1,0,0|2,0,0]=4 4327 B7R1.3 BrC1CCCOC1 MCULE-5781416415 [1,0,0,1,0,0|1,0,1]=4 4328 B7R1.3 C1(CCCNC1)N MCULE-2184623611 [1,0,0,1,0,0|1,0,1]=4 4329 B7R1.3 C1(CCCNC1)N MCULE-6177601832 [1,0,0,1,0,0|1,0,1]=4 4330 B7R1.3 C1(CCCOC1)N MCULE-7160456966 [1,0,0,1,0,0|0,0,1]=3 4331 B7R1.3 C1(CCCOC1)N MCULE-9418657332 [1,0,0,1,0,0|0,0,1]=3 4332 B7R1.3 CC1C=CCCC1 MCULE-8057302830 [1,0,0,1,0,0|2,0,0]=4 4333 B7R1.3 ClC1C=CCCC1 MCULE-7233887185 [1,0,0,1,0,0|2,0,0]=4 4334 B7R1.3 ClC1CCCOC1 MCULE-5733907796 [1,0,0,1,0,0|1,0,1]=4 4335 B7R1.3 FC1CCCOC1 MCULE-9003204358 [1,0,0,1,0,0|1,0,1]=4 4336 B7R1.3 NC1C=CCCC1 MCULE-4482857573 [1,0,0,1,0,0|1,0,0]=3 4337 B7R1.3 NC1C=CCCC1 MCULE-5378769676 [1,0,0,1,0,0|1,0,0]=3 4338 B7R1.3 NC1CCCCC1 MCULE-1274688385 [1,0,0,1,0,0|1,0,1]=4 4339 B7R1.3 NC1CCCCC1 MCULE-6218418825 [1,0,0,1,0,0|1,0,1]=4 4340 B7R1.3 NC1CCCCC1 MCULE-7654331405 [1,0,0,1,0,0|1,0,1]=4 4341 B7R1.3 NC1CCCCC1 MCULE-9211684304 [1,0,0,1,0,0|1,0,1]=4 4342 B7R1.3 NC1CCCCN1 MCULE-8429969520 [1,0,0,1,0,0|2,0,0]=4 4343 B7R1.3 NC1CCCNC1 MCULE-2846077424 [1,0,0,1,0,0|1,0,1]=4 4344 B7R1.3 NC1CCCNC1 MCULE-6762552983 [1,0,0,1,0,0|1,0,1]=4 4345 B7R1.3 NC1CCCNC1 MCULE-8978449052 [1,0,0,1,0,0|1,0,1]=4 4346 B7R1.3 NC1CCCOC1 MCULE-3002610862 [1,0,0,1,0,0|0,0,1]=3 4347 B7R1.3 NC1CCCOC1 MCULE-8678558313 [1,0,0,1,0,0|0,0,1]=3 4348 B7R1.3 NC1CCCSC1 MCULE-5361360271 [1,0,0,1,0,0|0,1,1]=4 4349 B7R1.3 NC1CCCSC1 MCULE-5652416535 [1,0,0,1,0,0|0,1,1]=4 4350 B7R1.3 N[C@@H]1CCCNC1 MCULE-1539406556 [1,0,0,1,0,0|1,0,1]=4 4351 B7R1.3 N[C@@H]1CCCNC1 MCULE-3403472114 [1,0,0,1,0,0|1,0,1]=4 4352 B7R1.3 N[C@@H]1CCCNC1 MCULE-6313396868 [1,0,0,1,0,0|1,0,1]=4 4353 B7R1.3 N[C@@H]1CCCNC1 MCULE-8281902784 [1,0,0,1,0,0|1,0,1]=4 4354 B7R1.3 N[C@@H]1CCCOC1 MCULE-3329999118 [1,0,0,1,0,0|0,0,1]=3 4355 B7R1.3 N[C@@H]1CCCOC1 MCULE-5434456311 [1,0,0,1,0,0|0,0,1]=3 4356 B7R1.3 N[C@@H]1CCCOC1 MCULE-8416525332 [1,0,0,1,0,0|0,0,1]=3 4357 B7R1.3 N[C@@H]1CCCOC1 MCULE-9941756618 [1,0,0,1,0,0|0,0,1]=3 4358 B7R1.3 N[C@H]1CCCNC1 MCULE-1133561466 [1,0,0,1,0,0|1,0,1]=4 4359 B7R1.3 N[C@H]1CCCNC1 MCULE-3601314617 [1,0,0,1,0,0|1,0,1]=4 4360 B7R1.3 N[C@H]1CCCNC1 MCULE-4741120465 [1,0,0,1,0,0|1,0,1]=4 4361 B7R1.3 N[C@H]1CCCNC1 MCULE-5291619589 [1,0,0,1,0,0|1,0,1]=4 4362 B7R1.3 N[C@H]1CCCNC1 MCULE-8831721515 [1,0,0,1,0,0|1,0,1]=4 4363 B7R1.3 N[C@H]1CCCOC1 MCULE-1619050625 [1,0,0,1,0,0|0,0,1]=3 4364 B7R1.3 N[C@H]1CCCOC1 MCULE-4275969826 [1,0,0,1,0,0|0,0,1]=3 4365 B7R1.3 N[C@H]1CCCOC1 MCULE-4421099383 [1,0,0,1,0,0|0,0,1]=3 4366 B7R1.3 N[C@H]1CCCOC1 MCULE-9281030983 [1,0,0,1,0,0|0,0,1]=3 4367 B7R1.3 OC1C=CCCC1 MCULE-3255466542 [1,0,0,1,0,0|2,0,0]=4 4368 B7R1.3 OC1CCCOC1 MCULE-3820663957 [1,0,0,1,0,0|1,0,1]=4 4369 B7R1.3 OC1CCCOC1 MCULE-4349250540 [1,0,0,1,0,0|1,0,1]=4 4370 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [1,0,0,1,0,0|1,0,1]=4 4371 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [1,0,0,1,0,0|1,0,1]=4 4372 B7R1.3 O[C@H]1C=CCCC1 MCULE-5543899109 [1,0,0,1,0,0|2,0,0]=4 4373 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [1,0,0,1,0,0|1,0,1]=4 4374 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [1,0,0,1,0,0|1,0,1]=4 4375 B7R1.3 SC1CCCOC1 MCULE-9540212924 [1,0,0,1,0,0|1,0,1]=4 4376 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [1,0,0,1,0,0|1,0,0]=3 4377 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [1,0,0,1,0,0|1,0,0]=3 4378 B7R1.4 C=C1CCCC1O MCULE-3026250203 [1,0,0,1,0,0|2,0,0]=4 4379 B7R1.4 C=C1COCC1N MCULE-4632261286 [1,0,0,1,0,0|2,0,0]=4 4380 B7R1.4 C=C1COCC1N MCULE-7153575301 [1,0,0,1,0,0|2,0,0]=4 4381 B7R1.4 CC1CCCC1=O MCULE-3710290162 [1,0,0,1,0,0|1,0,0]=3 4382 B7R1.4 CC1CCCC1N MCULE-4318156403 [1,0,0,1,0,0|1,0,1]=4 4383 B7R1.4 CC1CCCC1N MCULE-4434172193 [1,0,0,1,0,0|1,0,1]=4 4384 B7R1.4 CC1CCCC1O MCULE-1288711765 [1,0,0,1,0,0|1,0,1]=4 4385 B7R1.4 CC1CCNC1=O MCULE-7799644249 [1,0,0,1,0,0|2,0,0]=4 4386 B7R1.4 CC1CCOC1=O MCULE-2223078294 [1,0,0,1,0,0|2,0,0]=4 4387 B7R1.4 CC1CNCC1=O MCULE-2728909327 [1,0,0,1,0,0|2,0,0]=4 4388 B7R1.4 CC1CNCC1=O MCULE-9172381840 [1,0,0,1,0,0|2,0,0]=4 4389 B7R1.4 CC1COCC1=O MCULE-8115238635 [1,0,0,1,0,0|2,0,0]=4 4390 B7R1.4 CC1CSCC1=O MCULE-5611423322 [1,0,0,1,0,0|2,0,0]=4 4391 B7R1.4 CC1NCCC1=O MCULE-4206844406 [1,0,0,1,0,0|2,0,0]=4 4392 B7R1.4 CC1NCCC1=O MCULE-7025918222 [1,0,0,1,0,0|2,0,0]=4 4393 B7R1.4 CC1OCCC1=O MCULE-8278816952 [1,0,0,1,0,0|2,0,0]=4 4394 B7R1.4 CC1SCCC1=O MCULE-5264322365 [1,0,0,1,0,0|2,0,0]=4 4395 B7R1.4 CN1CCCC1=O MCULE-1381506705 [1,0,0,1,0,0|2,0,0]=4 4396 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-6206070680 [1,0,0,1,0,0|1,0,1]=4 4397 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-9964938082 [1,0,0,1,0,0|1,0,1]=4 4398 B7R1.4 C[C@@H]1CCC[C@@H]1O MCULE-2617120620 [1,0,0,1,0,0|1,0,1]=4 4399 B7R1.4 C[C@@H]1CCC[C@H]1N MCULE-8385969474 [1,0,0,1,0,0|1,0,1]=4 4400 B7R1.4 C[C@@H]1CCC[C@H]1O MCULE-3398682980 [1,0,0,1,0,0|1,0,1]=4 4401 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [1,0,0,1,0,0|2,0,0]=4 4402 B7R1.4 C[C@H]1CCC[C@@H]1N MCULE-4150988023 [1,0,0,1,0,0|1,0,1]=4 4403 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-5212653059 [1,0,0,1,0,0|1,0,1]=4 4404 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-7997646273 [1,0,0,1,0,0|1,0,1]=4 4405 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-3329868072 [1,0,0,1,0,0|1,0,1]=4 4406 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-4186145172 [1,0,0,1,0,0|1,0,1]=4 4407 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-3291842365 [1,0,0,1,0,0|1,0,1]=4 4408 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-7570125274 [1,0,0,1,0,0|1,0,1]=4 4409 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [1,0,0,1,0,0|2,0,0]=4 4410 B7R1.4 NC1CCCC1=O MCULE-3654949473 [1,0,0,1,0,0|0,0,0]=2 4411 B7R1.4 NC1CCCC1=O MCULE-6579965788 [1,0,0,1,0,0|0,0,0]=2 4412 B7R1.4 NC1CCCC1F MCULE-2221939717 [1,0,0,1,0,0|1,0,1]=4 4413 B7R1.4 NC1CCCC1F MCULE-7473190715 [1,0,0,1,0,0|1,0,1]=4 4414 B7R1.4 NC1CCCC1N MCULE-5161769230 [1,0,0,1,0,0|1,0,1]=4 4415 B7R1.4 NC1CCCC1N MCULE-7834445190 [1,0,0,1,0,0|1,0,1]=4 4416 B7R1.4 NC1CCCC1O MCULE-1657591641 [1,0,0,1,0,0|0,0,1]=3 4417 B7R1.4 NC1CCCC1O MCULE-6248992494 [1,0,0,1,0,0|0,0,1]=3 4418 B7R1.4 NC1CCNC1=O MCULE-2061829370 [1,0,0,1,0,0|1,0,0]=3 4419 B7R1.4 NC1CCNC1=O MCULE-4272585488 [1,0,0,1,0,0|1,0,0]=3 4420 B7R1.4 NC1CCOC1=O MCULE-1011670330 [1,0,0,1,0,0|1,0,0]=3 4421 B7R1.4 NC1CCOC1=O MCULE-1366805966 [1,0,0,1,0,0|1,0,0]=3 4422 B7R1.4 NC1CCOC1=O MCULE-1874490478 [1,0,0,1,0,0|1,0,0]=3 4423 B7R1.4 NC1CCOC1=O MCULE-4434379753 [1,0,0,1,0,0|1,0,0]=3 4424 B7R1.4 NC1CCOC1=O MCULE-7302633352 [1,0,0,1,0,0|1,0,0]=3 4425 B7R1.4 NC1CCOC1=O MCULE-8009953591 [1,0,0,1,0,0|1,0,0]=3 4426 B7R1.4 NC1CCSC1=O MCULE-5181497015 [1,0,0,1,0,0|1,0,0]=3 4427 B7R1.4 NC1CCSC1=O MCULE-8775141567 [1,0,0,1,0,0|1,0,0]=3 4428 B7R1.4 NC1COCC1O MCULE-3115911209 [1,0,0,1,0,0|1,0,1]=4 4429 B7R1.4 NC1COCC1O MCULE-9837103399 [1,0,0,1,0,0|1,0,1]=4 4430 B7R1.4 NC1CONC1=O MCULE-3118867985 [1,0,0,1,0,0|2,0,0]=4 4431 B7R1.4 NC1CONC1=O MCULE-3159218372 [1,0,0,1,0,0|2,0,0]=4 4432 B7R1.4 NC1CSCC1O MCULE-4474934833 [1,0,0,1,0,0|1,0,1]=4 4433 B7R1.4 NC1CSCC1O MCULE-5059305463 [1,0,0,1,0,0|1,0,1]=4 4434 B7R1.4 NC1CSCC1O MCULE-8633680588 [1,0,0,1,0,0|1,0,1]=4 4435 B7R1.4 NN1CCCC1=O MCULE-2994786381 [1,0,0,1,0,0|1,0,0]=3 4436 B7R1.4 NN1CCCC1=O MCULE-5599329775 [1,0,0,1,0,0|1,0,0]=3 4437 B7R1.4 NN1CCNC1=O MCULE-9094725216 [1,0,0,1,0,0|2,0,0]=4 4438 B7R1.4 NN1CCOC1=O MCULE-7407834106 [1,0,0,1,0,0|2,0,0]=4 4439 B7R1.4 NN1CCOC1=O MCULE-8091613930 [1,0,0,1,0,0|2,0,0]=4 4440 B7R1.4 N[C@@H]1CCC[C@@H]1F MCULE-5918995947 [1,0,0,1,0,0|1,0,1]=4 4441 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [1,0,0,1,0,0|0,0,1]=3 4442 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [1,0,0,1,0,0|0,0,1]=3 4443 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [1,0,0,1,0,0|0,0,1]=3 4444 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [1,0,0,1,0,0|0,0,1]=3 4445 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [1,0,0,1,0,0|0,0,1]=3 4446 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-1389039924 [1,0,0,1,0,0|1,0,1]=4 4447 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-2197861570 [1,0,0,1,0,0|1,0,1]=4 4448 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-3318849776 [1,0,0,1,0,0|1,0,1]=4 4449 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-5395257521 [1,0,0,1,0,0|1,0,1]=4 4450 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-8318262942 [1,0,0,1,0,0|1,0,1]=4 4451 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-9877401480 [1,0,0,1,0,0|1,0,1]=4 4452 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-1630250066 [1,0,0,1,0,0|1,0,1]=4 4453 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5738867214 [1,0,0,1,0,0|1,0,1]=4 4454 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5794367720 [1,0,0,1,0,0|1,0,1]=4 4455 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-6079002018 [1,0,0,1,0,0|1,0,1]=4 4456 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7332231839 [1,0,0,1,0,0|1,0,1]=4 4457 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7604406385 [1,0,0,1,0,0|1,0,1]=4 4458 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [1,0,0,1,0,0|0,0,1]=3 4459 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [1,0,0,1,0,0|0,0,1]=3 4460 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [1,0,0,1,0,0|0,0,1]=3 4461 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [1,0,0,1,0,0|0,0,1]=3 4462 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [1,0,0,1,0,0|0,0,1]=3 4463 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [1,0,0,1,0,0|0,0,1]=3 4464 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [1,0,0,1,0,0|1,0,0]=3 4465 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [1,0,0,1,0,0|1,0,0]=3 4466 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [1,0,0,1,0,0|1,0,0]=3 4467 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [1,0,0,1,0,0|1,0,0]=3 4468 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [1,0,0,1,0,0|1,0,0]=3 4469 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [1,0,0,1,0,0|1,0,0]=3 4470 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [1,0,0,1,0,0|1,0,0]=3 4471 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [1,0,0,1,0,0|1,0,0]=3 4472 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [1,0,0,1,0,0|1,0,0]=3 4473 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [1,0,0,1,0,0|1,0,0]=3 4474 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [1,0,0,1,0,0|1,0,0]=3 4475 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [1,0,0,1,0,0|1,0,0]=3 4476 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-2891920420 [1,0,0,1,0,0|1,0,1]=4 4477 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-5764643856 [1,0,0,1,0,0|1,0,1]=4 4478 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-1399984261 [1,0,0,1,0,0|1,0,1]=4 4479 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-2321912677 [1,0,0,1,0,0|1,0,1]=4 4480 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-4422404071 [1,0,0,1,0,0|1,0,1]=4 4481 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-7801515292 [1,0,0,1,0,0|1,0,1]=4 4482 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9112718041 [1,0,0,1,0,0|1,0,1]=4 4483 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9447703783 [1,0,0,1,0,0|1,0,1]=4 4484 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [1,0,0,1,0,0|2,0,0]=4 4485 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [1,0,0,1,0,0|2,0,0]=4 4486 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-4507133192 [1,0,0,1,0,0|1,0,1]=4 4487 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-9327920188 [1,0,0,1,0,0|1,0,1]=4 4488 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-5323319055 [1,0,0,1,0,0|1,0,1]=4 4489 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-8008053411 [1,0,0,1,0,0|1,0,1]=4 4490 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [1,0,0,1,0,0|0,0,1]=3 4491 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [1,0,0,1,0,0|0,0,1]=3 4492 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [1,0,0,1,0,0|0,0,1]=3 4493 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [1,0,0,1,0,0|0,0,1]=3 4494 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-1361897949 [1,0,0,1,0,0|1,0,1]=4 4495 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-4545374374 [1,0,0,1,0,0|1,0,1]=4 4496 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [1,0,0,1,0,0|0,0,1]=3 4497 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [1,0,0,1,0,0|0,0,1]=3 4498 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [1,0,0,1,0,0|0,0,1]=3 4499 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [1,0,0,1,0,0|0,0,1]=3 4500 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [1,0,0,1,0,0|0,0,1]=3 4501 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [1,0,0,1,0,0|1,0,0]=3 4502 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [1,0,0,1,0,0|1,0,0]=3 4503 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [1,0,0,1,0,0|1,0,0]=3 4504 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [1,0,0,1,0,0|1,0,0]=3 4505 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [1,0,0,1,0,0|1,0,0]=3 4506 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [1,0,0,1,0,0|1,0,0]=3 4507 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [1,0,0,1,0,0|1,0,0]=3 4508 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [1,0,0,1,0,0|1,0,0]=3 4509 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [1,0,0,1,0,0|1,0,0]=3 4510 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [1,0,0,1,0,0|1,0,0]=3 4511 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [1,0,0,1,0,0|1,0,0]=3 4512 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [1,0,0,1,0,0|1,0,0]=3 4513 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [1,0,0,1,0,0|1,0,0]=3 4514 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-1604156911 [1,0,0,1,0,0|1,0,1]=4 4515 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-3157811195 [1,0,0,1,0,0|1,0,1]=4 4516 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-4377495223 [1,0,0,1,0,0|1,0,1]=4 4517 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-8412403655 [1,0,0,1,0,0|1,0,1]=4 4518 B7R1.4 N[C@H]1COC[C@H]1O MCULE-5907972681 [1,0,0,1,0,0|1,0,1]=4 4519 B7R1.4 N[C@H]1COC[C@H]1O MCULE-7502895716 [1,0,0,1,0,0|1,0,1]=4 4520 B7R1.4 N[C@H]1COC[C@H]1O MCULE-8985833831 [1,0,0,1,0,0|1,0,1]=4 4521 B7R1.4 N[C@H]1COC[C@H]1O MCULE-9971794275 [1,0,0,1,0,0|1,0,1]=4 4522 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [1,0,0,1,0,0|2,0,0]=4 4523 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [1,0,0,1,0,0|2,0,0]=4 4524 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [1,0,0,1,0,0|1,0,1]=4 4525 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [1,0,0,1,0,0|1,0,0]=3 4526 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [1,0,0,1,0,0|1,0,0]=3 4527 B7R1.4 O=C1CCCC1F MCULE-8001765295 [1,0,0,1,0,0|1,0,0]=3 4528 B7R1.4 O=C1CCCC1O MCULE-6795188798 [1,0,0,1,0,0|1,0,0]=3 4529 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [1,0,0,1,0,0|2,0,0]=4 4530 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [1,0,0,1,0,0|2,0,0]=4 4531 B7R1.4 O=C1NCCC1F MCULE-2209899044 [1,0,0,1,0,0|2,0,0]=4 4532 B7R1.4 O=C1NCCC1O MCULE-8818841339 [1,0,0,1,0,0|2,0,0]=4 4533 B7R1.4 O=C1NCCC1O MCULE-9662824811 [1,0,0,1,0,0|2,0,0]=4 4534 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [1,0,0,1,0,0|2,0,0]=4 4535 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [1,0,0,1,0,0|2,0,0]=4 4536 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [1,0,0,1,0,0|2,0,0]=4 4537 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [1,0,0,1,0,0|2,0,0]=4 4538 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [1,0,0,1,0,0|2,0,0]=4 4539 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,0,0,1,0,0|2,0,0]=4 4540 B7R1.4 O=C1OCCC1S MCULE-2130434062 [1,0,0,1,0,0|2,0,0]=4 4541 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,0,0,1,0,0|2,0,0]=4 4542 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,0,0,1,0,0|2,0,0]=4 4543 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,0,0,1,0,0|2,0,0]=4 4544 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,0,0,1,0,0|2,0,0]=4 4545 B7R1.4 OC1CCCC1Br MCULE-9027030471 [1,0,0,1,0,0|1,0,1]=4 4546 B7R1.4 OC1CCCC1Cl MCULE-5561130140 [1,0,0,1,0,0|1,0,1]=4 4547 B7R1.4 OC1CCCC1F MCULE-9111039481 [1,0,0,1,0,0|1,0,1]=4 4548 B7R1.4 OC1CCCC1O MCULE-2003945768 [1,0,0,1,0,0|1,0,1]=4 4549 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-5851051143 [1,0,0,1,0,0|1,0,1]=4 4550 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-6816188915 [1,0,0,1,0,0|1,0,1]=4 4551 B7R1.4 O[C@@H]1CCC[C@H]1F MCULE-6825738824 [1,0,0,1,0,0|1,0,1]=4 4552 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-3171045763 [1,0,0,1,0,0|1,0,1]=4 4553 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-4369287998 [1,0,0,1,0,0|1,0,1]=4 4554 B7R1.4 O[C@H]1CCC[C@@H]1F MCULE-5487297072 [1,0,0,1,0,0|1,0,1]=4 4555 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4051443060 [1,0,0,1,0,0|1,0,1]=4 4556 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4644231649 [1,0,0,1,0,0|1,0,1]=4 4557 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-6847877597 [1,0,0,1,0,0|1,0,1]=4 4558 B7R1.4 O[C@H]1CCC[C@H]1Br MCULE-2758354858 [1,0,0,1,0,0|1,0,1]=4 4559 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-6157730443 [1,0,0,1,0,0|1,0,1]=4 4560 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-8785327416 [1,0,0,1,0,0|1,0,1]=4 4561 B7R1.4 O[C@H]1CCC[C@H]1O MCULE-7305350842 [1,0,0,1,0,0|1,0,1]=4 4562 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-2430440513 [1,0,0,1,0,0|1,0,1]=4 4563 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-8503171996 [1,0,0,1,0,0|1,0,1]=4 4564 B7R1.4 [C@@H]1(CCC[C@H]1N)F MCULE-5545998720 [1,0,0,1,0,0|1,0,1]=4 4565 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [1,0,0,1,0,0|1,0,1]=4 4566 B7R1.6 CCCC1CCN1 MCULE-7330412999 [1,0,0,1,0,0|1,0,1]=4 4567 B7R1.9 CCC1CC1CO MCULE-3342087238 [1,0,0,1,0,0|1,0,1]=4 4568 B7R1.9 COC1CC1C=O MCULE-8346964880 [1,0,0,1,0,0|2,0,0]=4 4569 B7R1.10 CC1CC(C1)C=O MCULE-1258886786 [1,0,0,1,0,0|1,0,0]=3 4570 B7R1.10 CC1CC(C1)CO MCULE-5730978355 [1,0,0,1,0,0|1,0,1]=4 4571 B7R1.21 CCCC1(CC1)N MCULE-2015286161 [1,0,0,1,0,0|1,0,1]=4 4572 B7R1.21 CCCC1(CC1)N MCULE-9864007655 [1,0,0,1,0,0|1,0,1]=4 4573 B7R1.22 C#CC(N)C1CC1 MCULE-5601339686 [1,0,0,1,0,0|1,0,1]=4 4574 B7R1.22 C#CC(N)C1CC1 MCULE-6581743000 [1,0,0,1,0,0|1,0,1]=4 4575 B7R1.22 C=CC(O)C1CC1 MCULE-5079761130 [1,0,0,1,0,0|2,0,0]=4 4576 B7R1.22 CC(C=O)C1CC1 MCULE-9307079880 [1,0,0,1,0,0|1,0,0]=3 4577 B7R1.22 CC(CO)C1CC1 MCULE-8325587009 [1,0,0,1,0,0|1,0,1]=4 4578 B7R1.22 CCC(N)C1CC1 MCULE-2935155085 [1,0,0,1,0,0|1,0,1]=4 4579 B7R1.22 CCC(N)C1CC1 MCULE-7295156418 [1,0,0,1,0,0|1,0,1]=4 4580 B7R1.22 CC[C@@H](N)C1CC1 MCULE-8184175332 [1,0,0,1,0,0|1,0,1]=4 4581 B7R1.22 CC[C@H](N)C1CC1 MCULE-5395953598 [1,0,0,1,0,0|1,0,1]=4 4582 B7R1.22 CC[C@H](N)C1CC1 MCULE-6843001585 [1,0,0,1,0,0|1,0,1]=4 4583 B7R1.22 CC[C@H](N)C1CC1 MCULE-8773009184 [1,0,0,1,0,0|1,0,1]=4 4584 B7R1.22 CN(C=O)C1CC1 MCULE-4185514369 [1,0,0,1,0,0|2,0,0]=4 4585 B7R1.22 N#CC(N)C1CC1 MCULE-4442457605 [1,0,0,1,0,0|1,0,1]=4 4586 B7R1.22 N#CC(N)C1CC1 MCULE-7666876984 [1,0,0,1,0,0|1,0,1]=4 4587 B7R1.22 N/C(=N\O)/C1CC1 MCULE-1839060575 [1,0,0,1,0,0|1,0,1]=4 4588 B7R1.22 N/C(=N\O)/C1CC1 MCULE-7991254390 [1,0,0,1,0,0|1,0,1]=4 4589 B7R1.22 NC(CO)C1CC1 MCULE-5154854421 [1,0,0,1,0,0|0,0,1]=3 4590 B7R1.22 NC(CO)C1CC1 MCULE-8775546228 [1,0,0,1,0,0|0,0,1]=3 4591 B7R1.22 NCC(N)C1CC1 MCULE-9464810605 [1,0,0,1,0,0|1,0,1]=4 4592 B7R1.22 NC[C@@H](N)C1CC1 MCULE-3450570705 [1,0,0,1,0,0|1,0,1]=4 4593 B7R1.22 NC[C@@H](N)C1CC1 MCULE-4753758413 [1,0,0,1,0,0|1,0,1]=4 4594 B7R1.22 NC[C@@H](N)C1CC1 MCULE-4823446729 [1,0,0,1,0,0|1,0,1]=4 4595 B7R1.22 NC[C@@H](N)C1CC1 MCULE-7123860849 [1,0,0,1,0,0|1,0,1]=4 4596 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5231249344 [1,0,0,1,0,0|0,0,1]=3 4597 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5233980282 [1,0,0,1,0,0|0,0,1]=3 4598 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9664157108 [1,0,0,1,0,0|0,0,1]=3 4599 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9941605288 [1,0,0,1,0,0|0,0,1]=3 4600 B7R1.22 N[C@H](CO)C1CC1 MCULE-3523450080 [1,0,0,1,0,0|0,0,1]=3 4601 B7R1.22 N[C@H](CO)C1CC1 MCULE-6097147899 [1,0,0,1,0,0|0,0,1]=3 4602 B7R1.22 N[C@H](CO)C1CC1 MCULE-9050007019 [1,0,0,1,0,0|0,0,1]=3 4603 B7R1.22 N[C@H](CO)C1CC1 MCULE-9945100855 [1,0,0,1,0,0|0,0,1]=3 4604 B7R1.22 OCC(O)C1CC1 MCULE-9694056700 [1,0,0,1,0,0|1,0,1]=4 4605 B7R1.25 C#CC1(CCC1)N MCULE-5371030411 [1,0,0,1,0,0|1,0,1]=4 4606 B7R1.25 C#CC1(CCC1)N MCULE-7138087833 [1,0,0,1,0,0|1,0,1]=4 4607 B7R1.25 C=CC1(COC1)N MCULE-1446171155 [1,0,0,1,0,0|2,0,0]=4 4608 B7R1.25 C=CC1(COC1)N MCULE-2444826926 [1,0,0,1,0,0|2,0,0]=4 4609 B7R1.25 CC1(CCC1)C=O MCULE-9513047998 [1,0,0,1,0,0|1,0,0]=3 4610 B7R1.25 CC1(CCC1)CO MCULE-9646690839 [1,0,0,1,0,0|1,0,1]=4 4611 B7R1.25 CC1(COC1)C=O MCULE-4295634366 [1,0,0,1,0,0|2,0,0]=4 4612 B7R1.25 CC1(CSC1)C=O MCULE-8783002976 [1,0,0,1,0,0|2,0,0]=4 4613 B7R1.25 CCC1(CCC1)N MCULE-5053916607 [1,0,0,1,0,0|1,0,1]=4 4614 B7R1.25 CCC1(CCC1)N MCULE-5413278315 [1,0,0,1,0,0|1,0,1]=4 4615 B7R1.25 N#CC1(CCC1)N MCULE-5265286874 [1,0,0,1,0,0|1,0,1]=4 4616 B7R1.25 N#CC1(CCC1)N MCULE-9294868612 [1,0,0,1,0,0|1,0,1]=4 4617 B7R1.25 NC1(CCC1)CF MCULE-1820863854 [1,0,0,1,0,0|1,0,1]=4 4618 B7R1.25 NC1(CCC1)CF MCULE-4073039809 [1,0,0,1,0,0|1,0,1]=4 4619 B7R1.25 NC1(CCC1)CO MCULE-3303213714 [1,0,0,1,0,0|0,0,1]=3 4620 B7R1.25 NC1(CCC1)CO MCULE-7230626576 [1,0,0,1,0,0|0,0,1]=3 4621 B7R1.25 NC1(COC1)CO MCULE-5347414182 [1,0,0,1,0,0|1,0,1]=4 4622 B7R1.25 NCC1(CCC1)N MCULE-4976713787 [1,0,0,1,0,0|1,0,1]=4 4623 B7R1.25 NCC1(CCC1)N MCULE-8019875303 [1,0,0,1,0,0|1,0,1]=4 4624 B7R1.25 O=CC1(CCC1)F MCULE-8878080032 [1,0,0,1,0,0|1,0,0]=3 4625 B7R1.25 OCC1(CCC1)F MCULE-5944864184 [1,0,0,1,0,0|1,0,1]=4 4626 B7R1.25 OCC1(CCC1)O MCULE-2830358505 [1,0,0,1,0,0|1,0,1]=4 4627 B7R1.27 CC1CC1(C)C=O MCULE-1780701123 [1,0,0,1,0,0|1,0,0]=3 4628 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|2,0,0]=4 4629 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|2,0,0]=4 4630 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|1,0,1]=4 4631 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,1,0,0|2,0,0]=4 4632 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|2,0,0]=4 4633 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|1,0,0]=3 4634 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [1,0,0,1,0,0|2,0,0]=4 4635 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|1,0,0]=3 4636 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|1,0,0]=3 4637 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|1,0,0]=3 4638 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|1,0,0]=3 4639 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|1,0,0]=3 4640 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|1,0,0]=3 4641 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|1,0,0]=3 4642 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|1,0,0]=3 4643 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|1,0,0]=3 4644 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|2,0,0]=4 4645 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|2,0,0]=4 4646 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|2,0,0]=4 4647 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|2,0,0]=4 4648 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|2,0,0]=4 4649 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|2,0,0]=4 4650 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|2,0,0]=4 4651 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|2,0,0]=4 4652 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|2,0,0]=4 4653 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|2,0,0]=4 4654 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|2,0,0]=4 4655 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|2,0,0]=4 4656 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|2,0,0]=4 4657 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|2,0,0]=4 4658 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|2,0,0]=4 4659 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|2,0,0]=4 4660 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|2,0,0]=4 4661 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|2,0,0]=4 4662 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|2,0,0]=4 4663 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|2,0,0]=4 4664 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|2,0,0]=4 4665 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|2,0,0]=4 4666 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|1,0,0]=3 4667 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|0,0,0]=2 4668 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|2,0,0]=4 4669 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|2,0,0]=4 4670 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,1,0,0|1,0,0]=3 4671 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,1,0,0|1,0,0]=3 4672 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,1,0,0|1,0,0]=3 4673 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,1,0,0|2,0,0]=4 4674 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,1,0,0|1,0,1]=4 4675 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|1,0,0]=3 4676 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|0,0,0]=2 4677 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|0,0,0]=2 4678 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|0,0,0]=2 4679 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|1,0,0]=3 4680 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|1,0,0]=3 4681 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|2,0,0]=4 4682 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|2,0,0]=4 4683 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|2,0,0]=4 4684 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|2,0,0]=4 4685 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|0,0,0]=2 4686 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|0,0,0]=2 4687 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|0,0,0]=2 4688 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|0,0,0]=2 4689 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|1,0,0]=3 4690 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|1,0,0]=3 4691 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|0,0,0]=2 4692 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|0,0,0]=2 4693 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|0,0,0]=2 4694 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|0,0,0]=2 4695 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|1,0,0]=3 4696 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|1,0,0]=3 4697 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [1,0,0,1,0,0|2,0,0]=4 4698 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [1,0,0,1,0,0|2,0,0]=4 4699 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [1,0,0,1,0,0|2,0,0]=4 4700 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [1,0,0,1,0,0|2,0,0]=4 4701 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [1,0,0,1,0,0|1,0,0]=3 4702 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [1,0,0,1,0,0|1,0,0]=3 4703 B7R1.19 CC(O)C1(CC1)N MCULE-7865299177 [1,0,0,1,0,0|1,0,1]=4 4704 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [1,0,0,1,0,0|2,0,0]=4 4705 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [1,0,0,1,0,0|2,0,0]=4 4706 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [1,0,0,1,0,0|1,0,0]=3 4707 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [1,0,0,1,0,0|2,0,0]=4 4708 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [1,0,0,1,0,0|2,0,0]=4 4709 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [1,0,0,1,0,0|1,0,0]=3 4710 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [1,0,0,1,0,0|1,0,0]=3 4711 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [1,0,0,1,0,0|2,0,0]=4 4712 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [1,0,0,1,0,0|1,0,0]=3 4713 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [1,0,0,1,0,0|1,0,0]=3 4714 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [1,0,0,1,0,0|0,0,0]=2 4715 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [1,0,0,1,0,0|0,0,0]=2 4716 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [1,0,0,1,0,0|1,0,0]=3 4717 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [1,0,0,1,0,0|1,0,0]=3 4718 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [1,0,0,1,0,0|1,0,0]=3 4719 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [1,0,0,1,0,0|1,0,0]=3 4720 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [1,0,0,1,0,0|1,0,0]=3 4721 B7R1.7 CCCCC1CO1 MCULE-8403189539 [1,0,0,1,0,0|1,0,1]=4 4722 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [1,0,0,1,0,0|1,0,1]=4 4723 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [1,0,0,1,0,0|2,0,0]=4 4724 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [1,0,0,1,0,0|2,0,0]=4 4725 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [1,0,0,1,0,0|1,0,1]=4 4726 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|1,0,0]=3 4727 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [1,0,0,1,0,0|2,0,0]=4 4728 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [1,0,0,1,0,0|1,0,1]=4 4729 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [1,0,0,1,0,0|1,0,1]=4 4730 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [1,0,0,1,0,0|1,0,1]=4 4731 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [1,0,0,1,0,0|2,0,0]=4 4732 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [1,0,0,1,0,0|2,0,0]=4 4733 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|1,0,0]=3 4734 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|2,0,0]=4 4735 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [1,0,0,1,0,0|2,0,0]=4 4736 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [1,0,0,1,0,0|1,1,0]=4 4737 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,1,0,0|1,0,0]=3 4738 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [1,0,0,1,0,0|2,0,0]=4 4739 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [1,0,0,1,0,0|2,0,0]=4 4740 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [1,0,0,1,0,0|0,0,2]=4 4741 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|0,0,0]=2 4742 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|1,0,0]=3 4743 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|1,0,0]=3 4744 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [1,0,0,1,0,0|1,0,1]=4 4745 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [1,0,0,1,0,0|1,0,1]=4 4746 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [1,0,0,1,0,0|1,0,1]=4 4747 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [1,0,0,1,0,0|1,0,1]=4 4748 B9R1.7 CCCC1=CC(=O)OC1 MCULE-9632653901 [0,0,0,1,0,1|1,0,1]=4 4749 B9R1.7 CCCC1CCC(=O)C1 MCULE-9793680877 [0,0,0,1,0,1|2,0,0]=4 4750 B9R1.7 CCCC1CCC(=O)O1 MCULE-7682573247 [0,0,0,1,0,1|2,0,0]=4 4751 B9R1.7 CCCC1CNC(=O)C1 MCULE-4931707298 [0,0,0,1,0,1|2,0,0]=4 4752 B9R1.7 CCCC1COC(=O)C1 MCULE-1327483782 [0,0,0,1,0,1|1,0,0]=3 4753 B9R1.7 CCCC1COC(=O)C1 MCULE-2912518782 [0,0,0,1,0,1|1,0,0]=3 4754 B9R1.7 CCCC1COC(=O)O1 MCULE-7663556618 [0,0,0,1,0,1|1,0,0]=3 4755 B9R1.7 CCC[C@@H]1COC(=O)C1 MCULE-3295643630 [0,0,0,1,0,1|1,0,0]=3 4756 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4217358413 [0,0,0,1,0,1|1,0,0]=3 4757 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4815713221 [0,0,0,1,0,1|1,0,0]=3 4758 B9R1.7 COCC1COC(=O)O1 MCULE-4488263909 [0,0,0,1,0,1|2,0,0]=4 4759 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-4803003402 [0,0,0,1,0,1|2,0,0]=4 4760 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-7896550849 [0,0,0,1,0,1|2,0,0]=4 4761 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4532523996 [0,0,0,1,0,1|2,0,0]=4 4762 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4644835151 [0,0,0,1,0,1|2,0,0]=4 4763 B9R1.7 NCCC1=NC(=O)ON1 MCULE-7683505560 [0,0,0,1,0,1|1,0,1]=4 4764 B9R1.7 NCCC1=NC(=O)ON1 MCULE-9980874270 [0,0,0,1,0,1|1,0,1]=4 4765 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [0,0,0,1,0,1|0,0,0]=2 4766 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [0,0,0,1,0,1|0,0,0]=2 4767 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [0,0,0,1,0,1|2,0,0]=4 4768 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [0,0,0,1,0,1|2,0,0]=4 4769 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [0,0,0,1,0,1|2,0,0]=4 4770 B9R1.13 CC(=O)NC1CCCC1 MCULE-5984597819 [0,0,0,1,0,1|2,0,0]=4 4771 B9R1.13 CC(=O)OC1CCCC1 MCULE-7737656947 [0,0,0,1,0,1|2,0,0]=4 4772 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [0,0,0,1,0,1|2,0,0]=4 4773 B9R1.13 CC(O)CC1CCCN1 MCULE-7800705257 [0,0,0,1,0,1|1,0,1]=4 4774 B9R1.13 NC(=O)/N=C\1/CCCN1 MCULE-4992899283 [0,0,0,1,0,1|1,0,1]=4 4775 B9R1.13 NC(=O)CC1CCCC1 MCULE-2082339108 [0,0,0,1,0,1|2,0,0]=4 4776 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [0,0,0,1,0,1|1,0,0]=3 4777 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [0,0,0,1,0,1|1,0,0]=3 4778 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [0,0,0,1,0,1|1,0,0]=3 4779 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [0,0,0,1,0,1|1,0,0]=3 4780 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [0,0,0,1,0,1|1,0,0]=3 4781 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [0,0,0,1,0,1|1,0,0]=3 4782 B9R1.13 NC(=O)NC1CCCC1 MCULE-9715014489 [0,0,0,1,0,1|2,0,0]=4 4783 B9R1.13 NC(=O)NC1NCCN1 MCULE-5746168335 [0,0,0,1,0,1|2,0,0]=4 4784 B9R1.13 NC(=O)OC1CCCC1 MCULE-7706681395 [0,0,0,1,0,1|2,0,0]=4 4785 B9R1.13 O=C(Cl)CC1CCCC1 MCULE-1532102571 [0,0,0,1,0,1|2,0,0]=4 4786 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [0,0,0,1,0,1|2,0,0]=4 4787 B9R1.13 O=C(Cl)OC1CCCC1 MCULE-2692212922 [0,0,0,1,0,1|2,0,0]=4 4788 B9R1.13 O=C(O)C=C1CCCC1 MCULE-1637420148 [0,0,0,1,0,1|1,0,1]=4 4789 B9R1.13 O=C(O)CC1=CCCC1 MCULE-5115478269 [0,0,0,1,0,1|1,0,1]=4 4790 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [0,0,0,1,0,1|1,0,1]=4 4791 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [0,0,0,1,0,1|1,0,0]=3 4792 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [0,0,0,1,0,1|0,0,0]=2 4793 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [0,0,0,1,0,1|0,0,0]=2 4794 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [0,0,0,1,0,1|1,0,0]=3 4795 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [0,0,0,1,0,1|2,0,0]=4 4796 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [0,0,0,1,0,1|2,0,0]=4 4797 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [0,0,0,1,0,1|2,0,0]=4 4798 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [0,0,0,1,0,1|2,0,0]=4 4799 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [0,0,0,1,0,1|2,0,0]=4 4800 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [0,0,0,1,0,1|2,0,0]=4 4801 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [0,0,0,1,0,1|2,0,0]=4 4802 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [0,0,0,1,0,1|2,0,0]=4 4803 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [0,0,0,1,0,1|0,0,0]=2 4804 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [0,0,0,1,0,1|0,0,0]=2 4805 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [0,0,0,1,0,1|0,0,0]=2 4806 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [0,0,0,1,0,1|1,0,0]=3 4807 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [0,0,0,1,0,1|2,0,0]=4 4808 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [0,0,0,1,0,1|2,0,0]=4 4809 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [0,0,0,1,0,1|2,0,0]=4 4810 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [0,0,0,1,0,1|2,0,0]=4 4811 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [0,0,0,1,0,1|2,0,0]=4 4812 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [0,0,0,1,0,1|2,0,0]=4 4813 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [0,0,0,1,0,1|0,0,0]=2 4814 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [0,0,0,1,0,1|0,0,0]=2 4815 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [0,0,0,1,0,1|0,0,0]=2 4816 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [0,0,0,1,0,1|0,0,0]=2 4817 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [0,0,0,1,0,1|2,0,0]=4 4818 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [0,0,0,1,0,1|2,0,0]=4 4819 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [0,0,0,1,0,1|2,0,0]=4 4820 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [0,0,0,1,0,1|2,0,0]=4 4821 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [0,0,0,1,0,1|2,0,0]=4 4822 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [0,0,0,1,0,1|2,0,0]=4 4823 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [0,0,0,1,0,1|0,0,0]=2 4824 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [0,0,0,1,0,1|2,0,0]=4 4825 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [0,0,0,1,0,1|2,0,0]=4 4826 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [0,0,0,1,0,1|2,0,0]=4 4827 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [0,0,0,1,0,1|2,0,0]=4 4828 B9R1.34 CC1CC(=CC(=O)O1)O MCULE-3566980219 [0,0,0,1,0,1|1,0,1]=4 4829 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,0,0,1,0,1|1,0,1]=4 4830 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,0,0,1,0,1|1,0,1]=4 4831 B9R1.34 CC1CC(=O)CC(C1)C MCULE-7560602452 [0,0,0,1,0,1|2,0,0]=4 4832 B9R1.34 CC1CC(CC(O1)C)N MCULE-1411888636 [0,0,0,1,0,1|1,0,1]=4 4833 B9R1.34 C[C@@H]1CC(C[C@H](O1)C)N MCULE-9882917405 [0,0,0,1,0,1|1,0,1]=4 4834 B9R1.34 C[C@H]1CC(C[C@@H](O1)C)N MCULE-8190565336 [0,0,0,1,0,1|1,0,1]=4 4835 B9R1.34 C[C@H]1C[C@@H](C[C@H](O1)C)N MCULE-6193156642 [0,0,0,1,0,1|1,0,1]=4 4836 B9R1.34 C[C@H]1C[C@H](C[C@H](O1)C)N MCULE-8355560111 [0,0,0,1,0,1|1,0,1]=4 4837 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [0,0,0,1,0,1|2,0,0]=4 4838 B9R1.41 CC1=C(CCC1)C(=O)O MCULE-4166872703 [0,0,0,1,0,1|1,0,1]=4 4839 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [0,0,0,1,0,1|1,0,0]=3 4840 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [0,0,0,1,0,1|2,0,0]=4 4841 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [0,0,0,1,0,1|2,0,0]=4 4842 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [0,0,0,1,0,1|2,0,0]=4 4843 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [0,0,0,1,0,1|2,0,0]=4 4844 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [0,0,0,1,0,1|2,0,0]=4 4845 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [0,0,0,1,0,1|2,0,0]=4 4846 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [0,0,0,1,0,1|2,0,0]=4 4847 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [0,0,0,1,0,1|2,0,0]=4 4848 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [0,0,0,1,0,1|2,0,0]=4 4849 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [0,0,0,1,0,1|2,0,0]=4 4850 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [0,0,0,1,0,1|2,0,0]=4 4851 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [0,0,0,1,0,1|2,0,0]=4 4852 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [0,0,0,1,0,1|2,0,0]=4 4853 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [0,0,0,1,0,1|2,0,0]=4 4854 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [0,0,0,1,0,1|2,0,0]=4 4855 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [0,0,0,1,0,1|2,0,0]=4 4856 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [0,0,0,1,0,1|2,0,0]=4 4857 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [0,0,0,1,0,1|2,0,0]=4 4858 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [0,0,0,1,0,1|2,0,0]=4 4859 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [0,0,0,1,0,1|2,0,0]=4 4860 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [0,0,0,1,0,1|2,0,0]=4 4861 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [0,0,0,1,0,1|2,0,0]=4 4862 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [0,0,0,1,0,1|2,0,0]=4 4863 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [0,0,0,1,0,1|2,0,0]=4 4864 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [0,0,0,1,0,1|2,0,0]=4 4865 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [0,0,0,1,0,1|2,0,0]=4 4866 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [0,0,0,1,0,1|2,0,0]=4 4867 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [0,0,0,1,0,1|2,0,0]=4 4868 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [0,0,0,1,0,1|2,0,0]=4 4869 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [0,0,0,1,0,1|2,0,0]=4 4870 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [0,0,0,1,0,1|2,0,0]=4 4871 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [0,0,0,1,0,1|2,0,0]=4 4872 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [0,0,0,1,0,1|2,0,0]=4 4873 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [0,0,0,1,0,1|2,0,0]=4 4874 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [0,0,0,1,0,1|2,0,0]=4 4875 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [0,0,0,1,0,1|2,0,0]=4 4876 B9R1.41 NC(=O)C1CCCC1N MCULE-5593863466 [0,0,0,1,0,1|1,0,0]=3 4877 B9R1.41 NC(=O)C1CCCC1N MCULE-7208597206 [0,0,0,1,0,1|1,0,0]=3 4878 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-1275176642 [0,0,0,1,0,1|1,0,0]=3 4879 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2107283008 [0,0,0,1,0,1|1,0,0]=3 4880 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2865532845 [0,0,0,1,0,1|1,0,0]=3 4881 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-3874121291 [0,0,0,1,0,1|1,0,0]=3 4882 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [0,0,0,1,0,1|2,0,0]=4 4883 B9R1.41 NC1=C(CCC1)C(=O)O MCULE-9287668193 [0,0,0,1,0,1|0,0,1]=3 4884 B9R1.41 NC1C=CCC1C(=O)O MCULE-8527386281 [0,0,0,1,0,1|0,0,2]=4 4885 B9R1.41 NC1C=CCC1C(=O)O MCULE-8529743719 [0,0,0,1,0,1|0,0,2]=4 4886 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [0,0,0,1,0,1|0,0,0]=2 4887 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [0,0,0,1,0,1|0,0,0]=2 4888 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [0,0,0,1,0,1|1,0,0]=3 4889 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [0,0,0,1,0,1|1,0,0]=3 4890 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [0,0,0,1,0,1|1,0,0]=3 4891 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [0,0,0,1,0,1|1,0,0]=3 4892 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [0,0,0,1,0,1|1,0,0]=3 4893 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [0,0,0,1,0,1|1,0,0]=3 4894 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [0,0,0,1,0,1|0,0,0]=2 4895 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [0,0,0,1,0,1|0,0,0]=2 4896 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [0,0,0,1,0,1|0,0,0]=2 4897 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [0,0,0,1,0,1|0,0,0]=2 4898 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [0,0,0,1,0,1|0,0,0]=2 4899 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [0,0,0,1,0,1|0,0,0]=2 4900 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [0,0,0,1,0,1|0,0,0]=2 4901 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [0,0,0,1,0,1|0,0,0]=2 4902 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [0,0,0,1,0,1|1,0,0]=3 4903 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [0,0,0,1,0,1|1,0,0]=3 4904 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [0,0,0,1,0,1|1,0,0]=3 4905 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [0,0,0,1,0,1|1,0,0]=3 4906 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [0,0,0,1,0,1|1,0,0]=3 4907 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [0,0,0,1,0,1|1,0,0]=3 4908 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [0,0,0,1,0,1|0,0,0]=2 4909 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [0,0,0,1,0,1|0,0,0]=2 4910 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [0,0,0,1,0,1|0,0,0]=2 4911 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [0,0,0,1,0,1|0,0,0]=2 4912 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [0,0,0,1,0,1|0,0,0]=2 4913 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [0,0,0,1,0,1|0,0,0]=2 4914 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [0,0,0,1,0,1|0,0,0]=2 4915 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [0,0,0,1,0,1|0,0,0]=2 4916 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [0,0,0,1,0,1|0,0,0]=2 4917 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [0,0,0,1,0,1|0,0,0]=2 4918 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [0,0,0,1,0,1|1,0,0]=3 4919 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [0,0,0,1,0,1|1,0,0]=3 4920 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [0,0,0,1,0,1|1,0,0]=3 4921 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [0,0,0,1,0,1|1,0,0]=3 4922 B9R1.41 O=C(O)C1=C(CCC1)Cl MCULE-4349801654 [0,0,0,1,0,1|1,0,1]=4 4923 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [0,0,0,1,0,1|1,0,1]=4 4924 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [0,0,0,1,0,1|1,0,0]=3 4925 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [0,0,0,1,0,1|2,0,0]=4 4926 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [0,0,0,1,0,1|2,0,0]=4 4927 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [0,0,0,1,0,1|2,0,0]=4 4928 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [0,0,0,1,0,1|2,0,0]=4 4929 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [0,0,0,1,0,1|2,0,0]=4 4930 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [0,0,0,1,0,1|2,0,0]=4 4931 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [0,0,0,1,0,1|2,0,0]=4 4932 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [0,0,0,1,0,1|2,0,0]=4 4933 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [0,0,0,1,0,1|2,0,0]=4 4934 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [0,0,0,1,0,1|2,0,0]=4 4935 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [0,0,0,1,0,1|2,0,0]=4 4936 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [0,0,0,1,0,1|2,0,0]=4 4937 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [0,0,0,1,0,1|2,0,0]=4 4938 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [0,0,0,1,0,1|2,0,0]=4 4939 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [0,0,0,1,0,1|2,0,0]=4 4940 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [0,0,0,1,0,1|2,0,0]=4 4941 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [0,0,0,1,0,1|2,0,0]=4 4942 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [0,0,0,1,0,1|2,0,0]=4 4943 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [0,0,0,1,0,1|2,0,0]=4 4944 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [0,0,0,1,0,1|2,0,0]=4 4945 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [0,0,0,1,0,1|2,0,0]=4 4946 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [0,0,0,1,0,1|2,0,0]=4 4947 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [0,0,0,1,0,1|1,0,0]=3 4948 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [0,0,0,1,0,1|2,0,0]=4 4949 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [0,0,0,1,0,1|2,0,0]=4 4950 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [0,0,0,1,0,1|2,0,0]=4 4951 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [0,0,0,1,0,1|2,0,0]=4 4952 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [0,0,0,1,0,1|2,0,0]=4 4953 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [0,0,0,1,0,1|2,0,0]=4 4954 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [0,0,0,1,0,1|2,0,0]=4 4955 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [0,0,0,1,0,1|2,0,0]=4 4956 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [0,0,0,1,0,1|2,0,0]=4 4957 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [0,0,0,1,0,1|2,0,0]=4 4958 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [0,0,0,1,0,1|2,0,0]=4 4959 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [0,0,0,1,0,1|2,0,0]=4 4960 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [0,0,0,1,0,1|2,0,0]=4 4961 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [0,0,0,1,0,1|2,0,0]=4 4962 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [0,0,0,1,0,1|2,0,0]=4 4963 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [0,0,0,1,0,1|2,0,0]=4 4964 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [0,0,0,1,0,1|2,0,0]=4 4965 B9R1.44 CC1(CC1F)CC(=O)O MCULE-2399259815 [0,0,0,1,0,1|2,0,0]=4 4966 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [0,0,0,1,0,1|2,0,0]=4 4967 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [0,0,0,1,0,1|2,0,0]=4 4968 B9R1.48 NC1CCCCC(C1)O MCULE-5548192102 [0,0,0,1,0,1|1,0,1]=4 4969 B9R1.48 NC1CCCCC(C1)O MCULE-8953029807 [0,0,0,1,0,1|1,0,1]=4 4970 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,0,0,1,0,1|1,0,0]=3 4971 B9R1.48 N[C@@H]1CCCC[C@@H](C1)O MCULE-7609350144 [0,0,0,1,0,1|1,0,1]=4 4972 B9R1.48 N[C@@H]1CCCC[C@@H](C1)O MCULE-9626764594 [0,0,0,1,0,1|1,0,1]=4 4973 B9R1.48 N[C@@H]1CCCC[C@H](C1)O MCULE-4772681431 [0,0,0,1,0,1|1,0,1]=4 4974 B9R1.48 N[C@@H]1CCCC[C@H](C1)O MCULE-6968396232 [0,0,0,1,0,1|1,0,1]=4 4975 B9R1.48 N[C@H]1CCCC[C@@H](C1)O MCULE-4503660630 [0,0,0,1,0,1|1,0,1]=4 4976 B9R1.48 N[C@H]1CCCC[C@@H](C1)O MCULE-4564760854 [0,0,0,1,0,1|1,0,1]=4 4977 B9R1.48 N[C@H]1CCCC[C@H](C1)O MCULE-2271050688 [0,0,0,1,0,1|1,0,1]=4 4978 B9R1.48 N[C@H]1CCCC[C@H](C1)O MCULE-7801993304 [0,0,0,1,0,1|1,0,1]=4 4979 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [0,0,0,1,0,1|2,0,0]=4 4980 B9R1.48 O=C1CCCCC(N1)O MCULE-6756895418 [0,0,0,1,0,1|2,0,0]=4 4981 B9R1.52 CC1CN(C1C(=O)O)C MCULE-8572324743 [0,0,0,1,0,1|2,0,0]=4 4982 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-1157987768 [0,0,0,1,0,1|2,0,0]=4 4983 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-2203210701 [0,0,0,1,0,1|2,0,0]=4 4984 B9R1.52 C[C@@H]1CN([C@@H]1C(=O)O)C MCULE-7173137112 [0,0,0,1,0,1|2,0,0]=4 4985 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,0,0,1,0,1|1,0,0]=3 4986 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6114587935 [0,0,0,1,0,1|2,0,0]=4 4987 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6524445855 [0,0,0,1,0,1|2,0,0]=4 4988 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,0,0,1,0,1|2,0,0]=4 4989 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,0,0,1,0,1|2,0,0]=4 4990 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,0,0,1,0,1|2,0,0]=4 4991 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,0,0,1,0,1|2,0,0]=4 4992 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,0,0,1,0,1|2,0,0]=4 4993 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,0,0,1,0,1|2,0,0]=4 4994 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,0,1,0,1|1,0,1]=4 4995 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,0,0,1,0,1|2,0,0]=4 4996 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,0,0,1,0,1|1,0,0]=3 4997 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,0,0,1,0,1|1,0,0]=3 4998 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,0,0,1,0,1|1,0,0]=3 4999 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,0,0,1,0,1|1,0,0]=3 5000 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [0,0,0,1,0,1|2,0,0]=4 5001 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [0,0,0,1,0,1|2,0,0]=4 5002 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [0,0,0,1,0,1|2,0,0]=4 5003 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [0,0,0,1,0,1|2,0,0]=4 5004 B9R1.66 CC1(CCCC(C1)N)O MCULE-1871406142 [0,0,0,1,0,1|1,0,1]=4 5005 B9R1.66 CC1(CCCC(C1)N)O MCULE-7398458626 [0,0,0,1,0,1|1,0,1]=4 5006 B9R1.66 C[C@@]1(CCC[C@@H](C1)N)O MCULE-8912951909 [0,0,0,1,0,1|1,0,1]=4 5007 B9R1.66 C[C@@]1(CCC[C@H](C1)N)O MCULE-4058238566 [0,0,0,1,0,1|1,0,1]=4 5008 B9R1.66 C[C@@]1(CCC[C@H](C1)N)O MCULE-7920504474 [0,0,0,1,0,1|1,0,1]=4 5009 B9R1.66 C[C@]1(CCC[C@@H](C1)N)O MCULE-5451219836 [0,0,0,1,0,1|1,0,1]=4 5010 B9R1.66 C[C@]1(CCC[C@@H](C1)N)O MCULE-7548917786 [0,0,0,1,0,1|1,0,1]=4 5011 B9R1.66 C[C@]1(CCC[C@H](C1)N)O MCULE-7449457880 [0,0,0,1,0,1|1,0,1]=4 5012 B9R1.66 NC1CCCS(=O)(=O)C1 MCULE-4277810950 [0,0,0,1,0,1|1,0,1]=4 5013 B9R1.66 NC1CCCS(=O)(=O)C1 MCULE-4783063251 [0,0,0,1,0,1|1,0,1]=4 5014 B9R1.66 N[C@@H]1CCCS(=O)(=O)C1 MCULE-6858761792 [0,0,0,1,0,1|1,0,1]=4 5015 B9R1.66 N[C@H]1CCCS(=O)(=O)C1 MCULE-8413459865 [0,0,0,1,0,1|1,0,1]=4 5016 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,0,0,1,0,1|1,0,0]=3 5017 B9R1.137 C/C(=C/C(=O)O)/C1CC1 MCULE-5654935007 [0,0,0,1,0,1|1,0,1]=4 5018 B9R1.137 CC(=CC(=O)O)C1CC1 MCULE-7697317178 [0,0,0,1,0,1|1,0,1]=4 5019 B9R1.137 CC(=O)OC(C)C1CC1 MCULE-5922626122 [0,0,0,1,0,1|2,0,0]=4 5020 B9R1.137 CC(CC(=O)O)C1CC1 MCULE-6791529668 [0,0,0,1,0,1|1,0,0]=3 5021 B9R1.137 CN(CC(=O)O)C1CC1 MCULE-7502980024 [0,0,0,1,0,1|2,0,0]=4 5022 B9R1.137 NC(CC(=O)O)C1CC1 MCULE-8804808816 [0,0,0,1,0,1|0,0,0]=2 5023 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9237422000 [0,0,0,1,0,1|0,0,0]=2 5024 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9835342571 [0,0,0,1,0,1|0,0,0]=2 5025 B9R1.137 O=C(O)C=C(Cl)C1CC1 MCULE-8399808525 [0,0,0,1,0,1|1,0,1]=4 5026 B9R1.137 O=C(O)CC(=O)C1CC1 MCULE-2843513529 [0,0,0,1,0,1|1,0,1]=4 5027 B9R1.171 CC(=O)CC1(CCC1)O MCULE-9059999179 [0,0,0,1,0,1|2,0,0]=4 5028 B9R1.171 CC(=O)NC1(CCC1)C MCULE-3803103967 [0,0,0,1,0,1|2,0,0]=4 5029 B9R1.171 CC1(CCC1)CC(=O)O MCULE-7933536922 [0,0,0,1,0,1|1,0,0]=3 5030 B9R1.171 CC1(COC1)CC(=O)O MCULE-6717906096 [0,0,0,1,0,1|2,0,0]=4 5031 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9066660105 [0,0,0,1,0,1|1,0,0]=3 5032 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9947560643 [0,0,0,1,0,1|1,0,0]=3 5033 B9R1.171 NC(=O)CC1(COC1)N MCULE-9538138103 [0,0,0,1,0,1|2,0,0]=4 5034 B9R1.171 NC1(CCC1)CC(=O)O MCULE-2268387352 [0,0,0,1,0,1|0,0,0]=2 5035 B9R1.171 NC1(CCC1)CC(=O)O MCULE-7887308813 [0,0,0,1,0,1|0,0,0]=2 5036 B9R1.171 NC1(COC1)CC(=O)O MCULE-7347209492 [0,0,0,1,0,1|1,0,0]=3 5037 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [0,0,0,1,0,1|1,0,0]=3 5038 B9R1.171 O=C(O)CC1(COC1)F MCULE-8446148413 [0,0,0,1,0,1|2,0,0]=4 5039 B9R1.3 CC1CCCC(=O)C1=O MCULE-3677088238 [0,1,0,1,0,0|1,0,1]=4 5040 B9R1.3 CC1CCCC(=O)C1C MCULE-1705022712 [0,1,0,1,0,0|2,0,0]=4 5041 B9R1.3 CC1CCCC(C1=O)C MCULE-4896844140 [0,1,0,1,0,0|2,0,0]=4 5042 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,1,0,1,0,0|1,0,0]=3 5043 B9R1.3 CN1CCCC(C1=O)Br MCULE-1025570589 [0,1,0,1,0,0|2,0,0]=4 5044 B9R1.3 CN1CCCC(C1=O)N MCULE-3986588144 [0,1,0,1,0,0|1,0,0]=3 5045 B9R1.3 CN1CCCC(C1=O)N MCULE-7149075004 [0,1,0,1,0,0|1,0,0]=3 5046 B9R1.3 CN1CCCC(C1=O)N MCULE-8825003509 [0,1,0,1,0,0|1,0,0]=3 5047 B9R1.3 CN1CCCC(C1=O)N MCULE-8988509393 [0,1,0,1,0,0|1,0,0]=3 5048 B9R1.3 CN1CCCC(C1=O)O MCULE-9396895370 [0,1,0,1,0,0|2,0,0]=4 5049 B9R1.3 CN1CCCN(C1=O)N MCULE-1077179882 [0,1,0,1,0,0|2,0,0]=4 5050 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-1758642850 [0,1,0,1,0,0|1,0,0]=3 5051 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-3159461429 [0,1,0,1,0,0|1,0,0]=3 5052 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-7461179322 [0,1,0,1,0,0|1,0,0]=3 5053 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-9831345261 [0,1,0,1,0,0|1,0,0]=3 5054 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-1637263724 [0,1,0,1,0,0|1,0,0]=3 5055 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-4764518735 [0,1,0,1,0,0|1,0,0]=3 5056 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-8517113396 [0,1,0,1,0,0|1,0,0]=3 5057 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-8710321967 [0,1,0,1,0,0|1,0,0]=3 5058 B9R1.3 NC1C(CCCC1O)O MCULE-1978359416 [0,1,0,1,0,0|1,0,1]=4 5059 B9R1.3 NC1CCCN(C1=O)O MCULE-1786572763 [0,1,0,1,0,0|0,0,0]=2 5060 B9R1.3 N[C@@H]1CCC[C@H]([C@@H]1O)O MCULE-7294484287 [0,1,0,1,0,0|0,0,2]=4 5061 B9R1.3 N[C@H]1CCC[C@@H]([C@@H]1O)O MCULE-4901407173 [0,1,0,1,0,0|0,0,2]=4 5062 B9R1.3 N[C@H]1CCC[C@H]([C@@H]1O)O MCULE-2706489441 [0,1,0,1,0,0|0,0,2]=4 5063 B9R1.3 O=C1CCCC(C1=O)Br MCULE-4868069859 [0,1,0,1,0,0|1,0,1]=4 5064 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,1,0,1,0,0|2,0,0]=4 5065 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,1,0,1,0,0|2,0,0]=4 5066 B9R1.3 [C@@H]1(CCC[C@H]([C@@H]1N)O)O MCULE-9327450801 [0,1,0,1,0,0|1,0,1]=4 5067 B9R1.37 CC1CC(C(=O)C1=O)C MCULE-8190172276 [0,1,0,1,0,0|1,0,1]=4 5068 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [0,1,0,1,0,0|1,0,0]=3 5069 B9R1.37 CC1OC(C(C1C)N)C MCULE-6300493082 [0,1,0,1,0,0|1,0,1]=4 5070 B9R1.37 CC1OC(C(C1C)N)C MCULE-8122167979 [0,1,0,1,0,0|1,0,1]=4 5071 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1I)O MCULE-8523724511 [0,1,0,1,0,0|1,0,0]=3 5072 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [0,1,0,1,0,0|1,0,0]=3 5073 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,1,0,1,0,0|0,0,1]=3 5074 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [0,1,0,1,0,0|2,0,0]=4 5075 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [0,1,0,1,0,0|0,0,1]=3 5076 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,1,0,1,0,0|0,0,0]=2 5077 B9R1.96 C1(NCC1CC)C(=O)O MCULE-9517338987 [0,1,0,1,0,0|0,0,0]=2 5078 B9R1.96 CCC1CNC1C(=O)O MCULE-5561702986 [0,1,0,1,0,0|0,0,0]=2 5079 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-1585063492 [0,1,0,1,0,0|0,0,0]=2 5080 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-7143773936 [0,1,0,1,0,0|0,0,0]=2 5081 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [0,1,0,1,0,0|2,0,0]=4 5082 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [0,1,0,1,0,0|2,0,0]=4 5083 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [0,1,0,1,0,0|2,0,0]=4 5084 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [0,1,0,1,0,0|2,0,0]=4 5085 B9R1.101 CN(C(=O)CO)C1CC1 MCULE-8691131740 [0,1,0,1,0,0|2,0,0]=4 5086 B9R1.101 COC(=O)C(=O)C1CC1 MCULE-9397251897 [0,1,0,1,0,0|1,0,1]=4 5087 B9R1.101 COC(=O)C(Cl)C1CC1 MCULE-4883773844 [0,1,0,1,0,0|1,0,0]=3 5088 B9R1.101 COC(=O)C(N)C1CC1 MCULE-2038255981 [0,1,0,1,0,0|0,0,0]=2 5089 B9R1.101 COC(=O)C(N)C1CC1 MCULE-3639110456 [0,1,0,1,0,0|0,0,0]=2 5090 B9R1.101 COC(=O)C(N)C1CC1 MCULE-7214245033 [0,1,0,1,0,0|0,0,0]=2 5091 B9R1.101 COC(=O)C(N)C1CC1 MCULE-9180623373 [0,1,0,1,0,0|0,0,0]=2 5092 B9R1.101 COC(=O)C(O)C1CC1 MCULE-3063472245 [0,1,0,1,0,0|1,0,0]=3 5093 B9R1.101 COC(=O)[C@@H](N)C1CC1 MCULE-5322655268 [0,1,0,1,0,0|0,0,0]=2 5094 B9R1.101 COC(=O)[C@@H](N)C1CC1 MCULE-5602597755 [0,1,0,1,0,0|0,0,0]=2 5095 B9R1.101 COC(=O)[C@@H](N)C1CC1 MCULE-6011007181 [0,1,0,1,0,0|0,0,0]=2 5096 B9R1.101 COC(=O)[C@@H](N)C1CC1 MCULE-9876911123 [0,1,0,1,0,0|0,0,0]=2 5097 B9R1.101 COC(=O)[C@H](N)C1CC1 MCULE-2678578757 [0,1,0,1,0,0|0,0,0]=2 5098 B9R1.101 COC(=O)[C@H](N)C1CC1 MCULE-4214324166 [0,1,0,1,0,0|0,0,0]=2 5099 B9R1.101 COC(=O)[C@H](N)C1CC1 MCULE-4635560514 [0,1,0,1,0,0|0,0,0]=2 5100 B9R1.101 COC(=O)[C@H](N)C1CC1 MCULE-7478160763 [0,1,0,1,0,0|0,0,0]=2 5101 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,1,0,1,0,0|0,0,0]=2 5102 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,1,0,1,0,0|0,0,0]=2 5103 B9R1.110 C=C(C(=O)O)C1CCC1 MCULE-2578265979 [0,1,0,1,0,0|1,0,1]=4 5104 B9R1.110 CC(=C1CCC1)C(=O)O MCULE-8904503252 [0,1,0,1,0,0|1,0,1]=4 5105 B9R1.110 CC(C(=O)N)C1CNC1 MCULE-8664603287 [0,1,0,1,0,0|2,0,0]=4 5106 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,1,0,1,0,0|1,0,0]=3 5107 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,1,0,1,0,0|1,0,0]=3 5108 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [0,1,0,1,0,0|1,0,0]=3 5109 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [0,1,0,1,0,0|1,0,0]=3 5110 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [0,1,0,1,0,0|1,0,0]=3 5111 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [0,1,0,1,0,0|1,0,0]=3 5112 B9R1.110 CC(C(=O)O)N1CCC1 MCULE-9923940575 [0,1,0,1,0,0|1,0,0]=3 5113 B9R1.110 NC(=O)C(N)C1CCC1 MCULE-3518352563 [0,1,0,1,0,0|1,0,0]=3 5114 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,1,0,1,0,0|0,0,0]=2 5115 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,1,0,1,0,0|0,0,0]=2 5116 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,1,0,1,0,0|0,0,0]=2 5117 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,1,0,1,0,0|0,0,0]=2 5118 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,1,0,1,0,0|0,0,0]=2 5119 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,1,0,1,0,0|0,0,0]=2 5120 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,1,0,1,0,0|0,0,0]=2 5121 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,1,0,1,0,0|0,0,0]=2 5122 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,1,0,1,0,0|0,0,0]=2 5123 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,1,0,1,0,0|0,0,0]=2 5124 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,1,0,1,0,0|0,0,0]=2 5125 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,1,0,1,0,0|0,0,0]=2 5126 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,1,0,1,0,0|0,0,0]=2 5127 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,1,0,1,0,0|0,0,0]=2 5128 B9R1.110 O=C(O)C(=C1CCC1)F MCULE-3335084975 [0,1,0,1,0,0|1,0,1]=4 5129 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [0,1,0,1,0,0|1,0,1]=4 5130 B9R1.110 O=C(O)C(=O)N1CCC1 MCULE-2155911842 [0,1,0,1,0,0|1,0,1]=4 5131 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,1,0,1,0,0|1,0,0]=3 5132 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,1,0,1,0,0|1,0,0]=3 5133 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,1,0,1,0,0|1,0,0]=3 5134 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,1,0,1,0,0|1,0,0]=3 5135 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,1,0,1,0,0|1,0,0]=3 5136 B9R1.111 CC(C(=O)O)C1(CC1)N MCULE-1517881247 [0,1,0,1,0,0|1,0,0]=3 5137 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-6145936175 [0,1,0,1,0,0|0,0,0]=2 5138 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-7535494625 [0,1,0,1,0,0|0,0,0]=2 5139 B9R1.111 CC1(CC1)C(O)C(=O)O MCULE-9368385665 [0,1,0,1,0,0|1,0,0]=3 5140 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-1811208675 [0,1,0,1,0,0|0,0,0]=2 5141 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-7721561513 [0,1,0,1,0,0|0,0,0]=2 5142 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-6983168418 [0,1,0,1,0,0|0,0,0]=2 5143 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-8148582012 [0,1,0,1,0,0|0,0,0]=2 5144 B9R1.111 N[C@@H](C(=O)O)C1(CC1)O MCULE-3141771978 [0,1,0,1,0,0|0,0,0]=2 5145 B9R1.111 N[C@H](C(=O)O)C1(CC1)O MCULE-9602505956 [0,1,0,1,0,0|0,0,0]=2 5146 B9R1.111 O=C(O)C(=O)C1(CC1)F MCULE-2939361516 [0,1,0,1,0,0|1,0,1]=4 5147 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-5173033031 [0,1,0,1,0,0|0,0,0]=2 5148 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-8799551410 [0,1,0,1,0,0|0,0,0]=2 5149 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,1,0,1,0,0|1,0,0]=3 5150 B9R1.5 CC1CCCCCC1=O MCULE-3737709008 [0,1,0,1,0,0|2,0,0]=4 5151 B9R1.5 CC1CCCCNC1=O MCULE-6519247850 [0,1,0,1,0,0|2,0,0]=4 5152 B9R1.5 CC1CCNCCC1=O MCULE-4416410353 [0,1,0,1,0,0|2,0,0]=4 5153 B9R1.5 CC1CCNCCC1=O MCULE-7780011332 [0,1,0,1,0,0|2,0,0]=4 5154 B9R1.5 CC1CNCCCC1=O MCULE-2991075150 [0,1,0,1,0,0|2,0,0]=4 5155 B9R1.5 CC1CNCCCC1=O MCULE-6909508049 [0,1,0,1,0,0|2,0,0]=4 5156 B9R1.5 CC1CNCCNC1=O MCULE-2843888618 [0,1,0,1,0,0|2,0,0]=4 5157 B9R1.5 CC1CNCCNC1=O MCULE-9735119039 [0,1,0,1,0,0|2,0,0]=4 5158 B9R1.5 CC1NCCCNC1=O MCULE-3428365237 [0,1,0,1,0,0|2,0,0]=4 5159 B9R1.5 CC1NCCCNC1=O MCULE-7033727889 [0,1,0,1,0,0|2,0,0]=4 5160 B9R1.5 CC1OCCCNC1=O MCULE-1643502257 [0,1,0,1,0,0|2,0,0]=4 5161 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-1934186049 [0,1,0,1,0,0|2,0,0]=4 5162 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-5236470932 [0,1,0,1,0,0|2,0,0]=4 5163 B9R1.5 C[C@H]1NCCCNC1=O MCULE-1257602323 [0,1,0,1,0,0|2,0,0]=4 5164 B9R1.5 C[C@H]1NCCCNC1=O MCULE-9576161221 [0,1,0,1,0,0|2,0,0]=4 5165 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,1,0,1,0,0|1,0,0]=3 5166 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,1,0,1,0,0|1,0,0]=3 5167 B9R1.5 NC1CCCCCC1O MCULE-8315023618 [0,1,0,1,0,0|1,0,1]=4 5168 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,1,0,1,0,0|1,0,0]=3 5169 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,1,0,1,0,0|1,0,0]=3 5170 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,1,0,1,0,0|1,0,0]=3 5171 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,1,0,1,0,0|1,0,0]=3 5172 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [0,1,0,1,0,0|1,0,0]=3 5173 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [0,1,0,1,0,0|1,0,0]=3 5174 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-2063759577 [0,1,0,1,0,0|1,0,1]=4 5175 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-8213087274 [0,1,0,1,0,0|1,0,1]=4 5176 B9R1.5 N[C@@H]1CCCCC[C@H]1O MCULE-5613622981 [0,1,0,1,0,0|1,0,1]=4 5177 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,1,0,1,0,0|1,0,0]=3 5178 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,1,0,1,0,0|1,0,0]=3 5179 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,1,0,1,0,0|1,0,0]=3 5180 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,1,0,1,0,0|1,0,0]=3 5181 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [0,1,0,1,0,0|1,0,0]=3 5182 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [0,1,0,1,0,0|1,0,0]=3 5183 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [0,1,0,1,0,0|1,0,0]=3 5184 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [0,1,0,1,0,0|1,0,0]=3 5185 B9R1.5 N[C@H]1CCCCC[C@@H]1O MCULE-6991711117 [0,1,0,1,0,0|1,0,1]=4 5186 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2920839467 [0,1,0,1,0,0|1,0,1]=4 5187 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2969566133 [0,1,0,1,0,0|1,0,1]=4 5188 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,1,0,1,0,0|1,0,0]=3 5189 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,1,0,1,0,0|1,0,0]=3 5190 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,1,0,1,0,0|1,0,0]=3 5191 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,1,0,1,0,0|1,0,0]=3 5192 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [0,1,0,1,0,0|1,0,0]=3 5193 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [0,1,0,1,0,0|1,0,0]=3 5194 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [0,1,0,1,0,0|1,0,0]=3 5195 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [0,1,0,1,0,0|1,0,0]=3 5196 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [0,1,0,1,0,0|1,0,0]=3 5197 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [0,1,0,1,0,0|1,0,0]=3 5198 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [0,1,0,1,0,0|1,0,0]=3 5199 B9R1.5 O=C1CCCCCC1Br MCULE-8987490106 [0,1,0,1,0,0|2,0,0]=4 5200 B9R1.5 O=C1CCCCCC1Cl MCULE-8475724231 [0,1,0,1,0,0|2,0,0]=4 5201 B9R1.5 O=C1CCCCCC1F MCULE-9375666074 [0,1,0,1,0,0|2,0,0]=4 5202 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [0,1,0,1,0,0|2,0,0]=4 5203 B9R1.5 O=C1CCCNCC1F MCULE-2925975058 [0,1,0,1,0,0|2,0,0]=4 5204 B9R1.5 O=C1CCCNCC1F MCULE-8103284018 [0,1,0,1,0,0|2,0,0]=4 5205 B9R1.5 O=C1CCNCCC1Br MCULE-2617340721 [0,1,0,1,0,0|2,0,0]=4 5206 B9R1.5 O=C1CCNCCC1Br MCULE-7631698969 [0,1,0,1,0,0|2,0,0]=4 5207 B9R1.5 O=C1CCNCCC1F MCULE-5060609426 [0,1,0,1,0,0|2,0,0]=4 5208 B9R1.5 O=C1CCNCCC1F MCULE-9571678689 [0,1,0,1,0,0|2,0,0]=4 5209 B9R1.5 O=C1CNCCCC1F MCULE-6506742195 [0,1,0,1,0,0|2,0,0]=4 5210 B9R1.5 O=C1CNCCCC1F MCULE-9667202528 [0,1,0,1,0,0|2,0,0]=4 5211 B9R1.5 O=C1NCCCCC1Br MCULE-1879428965 [0,1,0,1,0,0|2,0,0]=4 5212 B9R1.11 C1(CCNC1)C(=O)OC MCULE-6356797990 [0,1,0,1,0,0|2,0,0]=4 5213 B9R1.11 C1(CCNC1)C(=O)OC MCULE-7101201723 [0,1,0,1,0,0|2,0,0]=4 5214 B9R1.11 C1(CCNC1)C(=O)OC MCULE-8951983412 [0,1,0,1,0,0|2,0,0]=4 5215 B9R1.11 C1(CCOC1)C(=O)OC MCULE-6831054690 [0,1,0,1,0,0|2,0,0]=4 5216 B9R1.11 CCC(=O)C1CCCC1 MCULE-4431631098 [0,1,0,1,0,0|2,0,0]=4 5217 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-1661804964 [0,1,0,1,0,0|1,0,0]=3 5218 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-8456135152 [0,1,0,1,0,0|1,0,0]=3 5219 B9R1.11 CNC(=O)C1CCCC1 MCULE-1170525718 [0,1,0,1,0,0|2,0,0]=4 5220 B9R1.11 CNC(=O)C1CCCN1 MCULE-1783490658 [0,1,0,1,0,0|1,0,0]=3 5221 B9R1.11 CNC(=O)C1CCCN1 MCULE-5014608316 [0,1,0,1,0,0|1,0,0]=3 5222 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-3668444015 [0,1,0,1,0,0|1,0,0]=3 5223 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7344672390 [0,1,0,1,0,0|1,0,0]=3 5224 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7586915644 [0,1,0,1,0,0|1,0,0]=3 5225 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-8093231474 [0,1,0,1,0,0|1,0,0]=3 5226 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-9455499550 [0,1,0,1,0,0|1,0,0]=3 5227 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-1131638831 [0,1,0,1,0,0|1,0,0]=3 5228 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4056775238 [0,1,0,1,0,0|1,0,0]=3 5229 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4223546600 [0,1,0,1,0,0|1,0,0]=3 5230 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-6583071684 [0,1,0,1,0,0|1,0,0]=3 5231 B9R1.11 COC(=N)C1CCCC1 MCULE-3923627958 [0,1,0,1,0,0|2,0,0]=4 5232 B9R1.11 COC(=N)C1CCCC1 MCULE-5894752285 [0,1,0,1,0,0|2,0,0]=4 5233 B9R1.11 COC(=O)C1=CCCC1 MCULE-3606282792 [0,1,0,1,0,0|1,0,1]=4 5234 B9R1.11 COC(=O)C1C=CCN1 MCULE-5230080312 [0,1,0,1,0,0|0,0,2]=4 5235 B9R1.11 COC(=O)C1C=CCN1 MCULE-8144796741 [0,1,0,1,0,0|0,0,2]=4 5236 B9R1.11 COC(=O)C1CCCC1 MCULE-6212031690 [0,1,0,1,0,0|1,0,0]=3 5237 B9R1.11 COC(=O)C1CCCN1 MCULE-3132842932 [0,1,0,1,0,0|0,0,0]=2 5238 B9R1.11 COC(=O)C1CCCN1 MCULE-5268897425 [0,1,0,1,0,0|0,0,0]=2 5239 B9R1.11 COC(=O)C1CCCN1 MCULE-6168730709 [0,1,0,1,0,0|0,0,0]=2 5240 B9R1.11 COC(=O)C1CCCN1 MCULE-8316785654 [0,1,0,1,0,0|0,0,0]=2 5241 B9R1.11 COC(=O)C1CCCO1 MCULE-2538391455 [0,1,0,1,0,0|1,0,0]=3 5242 B9R1.11 COC(=O)C1CCCS1 MCULE-8875125328 [0,1,0,1,0,0|1,0,0]=3 5243 B9R1.11 COC(=O)C1CCNC1 MCULE-1630900792 [0,1,0,1,0,0|2,0,0]=4 5244 B9R1.11 COC(=O)C1CCNC1 MCULE-5845908055 [0,1,0,1,0,0|2,0,0]=4 5245 B9R1.11 COC(=O)C1CCNC1 MCULE-8849407954 [0,1,0,1,0,0|2,0,0]=4 5246 B9R1.11 COC(=O)C1CCOC1 MCULE-8088199992 [0,1,0,1,0,0|2,0,0]=4 5247 B9R1.11 COC(=O)C1CSCN1 MCULE-5351052142 [0,1,0,1,0,0|1,0,0]=3 5248 B9R1.11 COC(=O)C1CSCN1 MCULE-9093296447 [0,1,0,1,0,0|1,0,0]=3 5249 B9R1.11 COC(=O)C1NCCS1 MCULE-8142325663 [0,1,0,1,0,0|1,0,0]=3 5250 B9R1.11 COC(=O)C1[NH2+]CCS1 MCULE-5863059145 [0,1,0,1,0,0|1,0,1]=4 5251 B9R1.11 COC(=O)N1CCCC1 MCULE-1240116216 [0,1,0,1,0,0|2,0,0]=4 5252 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-1869723316 [0,1,0,1,0,0|0,0,2]=4 5253 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5370163237 [0,1,0,1,0,0|0,0,2]=4 5254 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5818736163 [0,1,0,1,0,0|0,0,2]=4 5255 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-7249261083 [0,1,0,1,0,0|0,0,2]=4 5256 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-1981658590 [0,1,0,1,0,0|0,0,0]=2 5257 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-6907716746 [0,1,0,1,0,0|0,0,0]=2 5258 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-8031793722 [0,1,0,1,0,0|0,0,0]=2 5259 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-9787777328 [0,1,0,1,0,0|0,0,0]=2 5260 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-3233941315 [0,1,0,1,0,0|2,0,0]=4 5261 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-4138957644 [0,1,0,1,0,0|2,0,0]=4 5262 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-5401828810 [0,1,0,1,0,0|2,0,0]=4 5263 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-6948701888 [0,1,0,1,0,0|2,0,0]=4 5264 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-7639173642 [0,1,0,1,0,0|2,0,0]=4 5265 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-9871868573 [0,1,0,1,0,0|2,0,0]=4 5266 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-2786445237 [0,1,0,1,0,0|2,0,0]=4 5267 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-6419806426 [0,1,0,1,0,0|2,0,0]=4 5268 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-5459284567 [0,1,0,1,0,0|1,0,0]=3 5269 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-6009801924 [0,1,0,1,0,0|1,0,0]=3 5270 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-1925865650 [0,1,0,1,0,0|0,0,0]=2 5271 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-3950222089 [0,1,0,1,0,0|0,0,0]=2 5272 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-4251030243 [0,1,0,1,0,0|0,0,0]=2 5273 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-8974101732 [0,1,0,1,0,0|0,0,0]=2 5274 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-3002947292 [0,1,0,1,0,0|2,0,0]=4 5275 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-4023088392 [0,1,0,1,0,0|2,0,0]=4 5276 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-5206857621 [0,1,0,1,0,0|2,0,0]=4 5277 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7688050113 [0,1,0,1,0,0|2,0,0]=4 5278 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7976156203 [0,1,0,1,0,0|2,0,0]=4 5279 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-9431553560 [0,1,0,1,0,0|2,0,0]=4 5280 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-4215481469 [0,1,0,1,0,0|2,0,0]=4 5281 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-9152113033 [0,1,0,1,0,0|2,0,0]=4 5282 B9R1.11 N/C(=N\O)/C1CCCC1 MCULE-6643830969 [0,1,0,1,0,0|2,0,0]=4 5283 B9R1.11 N/C(=N\O)/C1CCCO1 MCULE-2644350923 [0,1,0,1,0,0|2,0,0]=4 5284 B9R1.11 NCC(=O)C1CCCC1 MCULE-2498486150 [0,1,0,1,0,0|2,0,0]=4 5285 B9R1.11 NCC(=O)C1CCCC1 MCULE-5406973286 [0,1,0,1,0,0|2,0,0]=4 5286 B9R1.11 NNC(=O)C1CCCC1 MCULE-5436769120 [0,1,0,1,0,0|2,0,0]=4 5287 B9R1.11 NNC(=O)C1CCCO1 MCULE-7320789673 [0,1,0,1,0,0|2,0,0]=4 5288 B9R1.11 NNC(=O)C1CCCO1 MCULE-9371435722 [0,1,0,1,0,0|2,0,0]=4 5289 B9R1.11 NNC(=O)C1CCCS1 MCULE-3948986935 [0,1,0,1,0,0|2,0,0]=4 5290 B9R1.11 NNC(=O)[C@@H]1CCCO1 MCULE-4678621422 [0,1,0,1,0,0|2,0,0]=4 5291 B9R1.11 NNC(=O)[C@H]1CCCO1 MCULE-2795201954 [0,1,0,1,0,0|2,0,0]=4 5292 B9R1.11 O=C(CBr)C1CCCC1 MCULE-4985111490 [0,1,0,1,0,0|2,0,0]=4 5293 B9R1.11 O=C(CBr)C1CCCO1 MCULE-9978996372 [0,1,0,1,0,0|2,0,0]=4 5294 B9R1.11 O=C(CCl)C1CCCC1 MCULE-7395779538 [0,1,0,1,0,0|2,0,0]=4 5295 B9R1.11 O=C(CCl)C1CCCN1 MCULE-3650713124 [0,1,0,1,0,0|1,0,0]=3 5296 B9R1.11 O=C(CCl)C1CCCO1 MCULE-4619044936 [0,1,0,1,0,0|2,0,0]=4 5297 B9R1.11 O=C(CO)N1CCCC1 MCULE-6227389604 [0,1,0,1,0,0|2,0,0]=4 5298 B9R1.11 O=C(NO)C1=CCCC1 MCULE-3789818826 [0,1,0,1,0,0|1,0,1]=4 5299 B9R1.11 O=C(NO)C1CCCC1 MCULE-3511706426 [0,1,0,1,0,0|1,0,0]=3 5300 B9R1.15 CC1CCCCC1=NO MCULE-1706609645 [0,1,0,1,0,0|2,0,0]=4 5301 B9R1.15 CCC1CCCCC1=O MCULE-2493543558 [0,1,0,1,0,0|2,0,0]=4 5302 B9R1.15 CCC1CCCNC1=O MCULE-9899311713 [0,1,0,1,0,0|2,0,0]=4 5303 B9R1.15 CCC1CCCOC1=O MCULE-7711682964 [0,1,0,1,0,0|1,0,0]=3 5304 B9R1.15 CC\1CCCC/C1=N/O MCULE-2965052832 [0,1,0,1,0,0|2,0,0]=4 5305 B9R1.15 CNC1CCCCC1=O MCULE-4213094446 [0,1,0,1,0,0|1,0,0]=3 5306 B9R1.15 CNC1CCCCC1=O MCULE-6828302325 [0,1,0,1,0,0|1,0,0]=3 5307 B9R1.15 CNC1CCCCC1O MCULE-4436069957 [0,1,0,1,0,0|1,0,1]=4 5308 B9R1.15 CNC1CCCCC1O MCULE-5405173336 [0,1,0,1,0,0|1,0,1]=4 5309 B9R1.15 CNC1CCCNC1=O MCULE-5728861814 [0,1,0,1,0,0|1,0,0]=3 5310 B9R1.15 CNC1CCCNC1=O MCULE-6142186918 [0,1,0,1,0,0|1,0,0]=3 5311 B9R1.15 CN[C@@H]1CCCC[C@@H]1O MCULE-1137921028 [0,1,0,1,0,0|1,0,1]=4 5312 B9R1.15 CN[C@@H]1CCCC[C@H]1O MCULE-3605342765 [0,1,0,1,0,0|1,0,1]=4 5313 B9R1.15 CN[C@@H]1CCCC[C@H]1O MCULE-5222257369 [0,1,0,1,0,0|1,0,1]=4 5314 B9R1.15 CN[C@@H]1CCCC[C@H]1O MCULE-5595138673 [0,1,0,1,0,0|1,0,1]=4 5315 B9R1.15 CN[C@@H]1CCCC[C@H]1O MCULE-8677073091 [0,1,0,1,0,0|1,0,1]=4 5316 B9R1.15 CN[C@H]1CCCC[C@@H]1O MCULE-1707284588 [0,1,0,1,0,0|1,0,1]=4 5317 B9R1.15 CN[C@H]1CCCC[C@@H]1O MCULE-2780832664 [0,1,0,1,0,0|1,0,1]=4 5318 B9R1.15 CN[C@H]1CCCC[C@@H]1O MCULE-5064297221 [0,1,0,1,0,0|1,0,1]=4 5319 B9R1.15 CN[C@H]1CCCC[C@H]1O MCULE-1705616364 [0,1,0,1,0,0|1,0,1]=4 5320 B9R1.15 CN[C@H]1CCCC[C@H]1O MCULE-9104661315 [0,1,0,1,0,0|1,0,1]=4 5321 B9R1.15 COC1CCCCC1=O MCULE-7022503614 [0,1,0,1,0,0|2,0,0]=4 5322 B9R1.15 COC1CCCCC1N MCULE-1737804569 [0,1,0,1,0,0|1,0,1]=4 5323 B9R1.15 COC1CCCCC1N MCULE-2194963487 [0,1,0,1,0,0|1,0,1]=4 5324 B9R1.15 COC1CCCNC1=O MCULE-7453342727 [0,1,0,1,0,0|2,0,0]=4 5325 B9R1.15 CO[C@@H]1CCCC[C@@H]1N MCULE-1989542198 [0,1,0,1,0,0|1,0,1]=4 5326 B9R1.15 CO[C@@H]1CCCC[C@@H]1N MCULE-6852448083 [0,1,0,1,0,0|1,0,1]=4 5327 B9R1.15 CO[C@@H]1CCCC[C@H]1N MCULE-2893854338 [0,1,0,1,0,0|1,0,1]=4 5328 B9R1.15 CO[C@@H]1CCCC[C@H]1N MCULE-9329529471 [0,1,0,1,0,0|1,0,1]=4 5329 B9R1.15 CO[C@H]1CCCC[C@@H]1N MCULE-2586194317 [0,1,0,1,0,0|1,0,1]=4 5330 B9R1.15 CO[C@H]1CCCC[C@@H]1N MCULE-3721985129 [0,1,0,1,0,0|1,0,1]=4 5331 B9R1.15 CO[C@H]1CCCC[C@@H]1N MCULE-5933697798 [0,1,0,1,0,0|1,0,1]=4 5332 B9R1.15 CO[C@H]1CCCC[C@@H]1N MCULE-8173559541 [0,1,0,1,0,0|1,0,1]=4 5333 B9R1.15 CO[C@H]1CCCC[C@H]1N MCULE-1897256905 [0,1,0,1,0,0|1,0,1]=4 5334 B9R1.15 CO[C@H]1CCCC[C@H]1N MCULE-2520513048 [0,1,0,1,0,0|1,0,1]=4 5335 B9R1.15 CSC1CCCCC1=O MCULE-4042708421 [0,1,0,1,0,0|2,0,0]=4 5336 B9R1.15 C[C@@H]\1CCCC/C1=N/O MCULE-8176246926 [0,1,0,1,0,0|2,0,0]=4 5337 B9R1.15 N#CC1CCCCC1=O MCULE-5733904988 [0,1,0,1,0,0|1,0,1]=4 5338 B9R1.15 NC1CCCCC1CO MCULE-5262753422 [0,1,0,1,0,0|1,0,1]=4 5339 B9R1.15 NC1CCCCC1CO MCULE-9191988425 [0,1,0,1,0,0|1,0,1]=4 5340 B9R1.15 NCC1CCCCC1O MCULE-3106014100 [0,1,0,1,0,0|1,0,1]=4 5341 B9R1.15 NCC1CCCNC1=O MCULE-3811327759 [0,1,0,1,0,0|1,0,0]=3 5342 B9R1.15 NCC1CCCNC1=O MCULE-7406524376 [0,1,0,1,0,0|1,0,0]=3 5343 B9R1.15 NC[C@H]1CCCC[C@@H]1O MCULE-1443897301 [0,1,0,1,0,0|1,0,1]=4 5344 B9R1.15 NC[C@H]1CCCC[C@@H]1O MCULE-4382665718 [0,1,0,1,0,0|1,0,1]=4 5345 B9R1.15 NNC1CCCCC1O MCULE-1144773369 [0,1,0,1,0,0|1,0,1]=4 5346 B9R1.15 NNC1CCCCC1O MCULE-8337335745 [0,1,0,1,0,0|1,0,1]=4 5347 B9R1.15 NN[C@@H]1CCCC[C@H]1O MCULE-1480471068 [0,1,0,1,0,0|1,0,1]=4 5348 B9R1.15 NN[C@@H]1CCCC[C@H]1O MCULE-3427466844 [0,1,0,1,0,0|1,0,1]=4 5349 B9R1.15 NN[C@@H]1CCCC[C@H]1O MCULE-3752922997 [0,1,0,1,0,0|1,0,1]=4 5350 B9R1.15 NN[C@@H]1CCCC[C@H]1O MCULE-4432854577 [0,1,0,1,0,0|1,0,1]=4 5351 B9R1.15 NN[C@H]1CCCC[C@@H]1O MCULE-4369531684 [0,1,0,1,0,0|1,0,1]=4 5352 B9R1.15 N[C@@H]1CCCC[C@@H]1CO MCULE-2333094825 [0,1,0,1,0,0|1,0,1]=4 5353 B9R1.15 N[C@@H]1CCCC[C@@H]1CO MCULE-6100111885 [0,1,0,1,0,0|1,0,1]=4 5354 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-2541489944 [0,1,0,1,0,0|1,0,1]=4 5355 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-4358798149 [0,1,0,1,0,0|1,0,1]=4 5356 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-6886498483 [0,1,0,1,0,0|1,0,1]=4 5357 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-9434700277 [0,1,0,1,0,0|1,0,1]=4 5358 B9R1.15 N[C@H]1CCCC[C@H]1CO MCULE-7191404876 [0,1,0,1,0,0|1,0,1]=4 5359 B9R1.15 N[C@H]1CCCC[C@H]1CO MCULE-8159159865 [0,1,0,1,0,0|1,0,1]=4 5360 B9R1.15 O=C1CCCCC1CO MCULE-1345678838 [0,1,0,1,0,0|2,0,0]=4 5361 B9R1.15 O=C1NCCCC1CO MCULE-3810407789 [0,1,0,1,0,0|2,0,0]=4 5362 B9R1.15 O=CC1CCCCC1=O MCULE-3775698507 [0,1,0,1,0,0|2,0,0]=4 5363 B9R1.33 CCCC1CCCC1=O MCULE-6186440440 [0,1,0,1,0,0|2,0,0]=4 5364 B9R1.33 CCSC1CCOC1=O MCULE-2036311028 [0,1,0,1,0,0|2,0,0]=4 5365 B9R1.33 O=C1OCCC1CCBr MCULE-8450575724 [0,1,0,1,0,0|2,0,0]=4 5366 B9R1.69 CC1CC(=O)C(CN1)C MCULE-5034091059 [0,1,0,1,0,0|2,0,0]=4 5367 B9R1.69 CC1CC(=O)C(CN1)C MCULE-7684286370 [0,1,0,1,0,0|2,0,0]=4 5368 B9R1.69 CC1CC(CCC1=O)O MCULE-4154713632 [0,1,0,1,0,0|2,0,0]=4 5369 B9R1.69 CC1CCC(=O)C(C1)C MCULE-3520631102 [0,1,0,1,0,0|2,0,0]=4 5370 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [0,1,0,1,0,0|2,0,0]=4 5371 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,1,0,1,0,0|1,0,0]=3 5372 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-1197510372 [0,1,0,1,0,0|2,0,0]=4 5373 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-1474096689 [0,1,0,1,0,0|2,0,0]=4 5374 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-4763044155 [0,1,0,1,0,0|2,0,0]=4 5375 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-8537746266 [0,1,0,1,0,0|2,0,0]=4 5376 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,1,0,1,0,0|1,0,1]=4 5377 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,1,0,1,0,0|1,0,1]=4 5378 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,1,0,1,0,0|1,0,1]=4 5379 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,1,0,1,0,0|1,0,1]=4 5380 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,1,0,1,0,0|1,0,1]=4 5381 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,1,0,1,0,0|1,0,1]=4 5382 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,1,0,1,0,0|1,0,1]=4 5383 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,1,0,1,0,0|1,0,1]=4 5384 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,1,0,1,0,0|1,0,1]=4 5385 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,1,0,1,0,0|1,0,1]=4 5386 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,1,0,1,0,0|1,0,1]=4 5387 B9R1.69 N[C@H]1C[C@H](CNC1=O)O MCULE-9955363059 [0,1,0,1,0,0|1,0,0]=3 5388 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,1,0,1,0,0|1,0,1]=4 5389 B9R1.82 COC(=O)C1CC(C1)Br MCULE-6919888743 [0,1,0,1,0,0|2,0,0]=4 5390 B9R1.82 COC(=O)C1CC(C1)C MCULE-6294133796 [0,1,0,1,0,0|1,0,0]=3 5391 B9R1.82 COC(=O)C1CC(C1)Cl MCULE-6335137966 [0,1,0,1,0,0|2,0,0]=4 5392 B9R1.82 COC(=O)C1CC(C1)F MCULE-7350931097 [0,1,0,1,0,0|2,0,0]=4 5393 B9R1.82 COC(=O)C1CC(C1)I MCULE-7700167011 [0,1,0,1,0,0|2,0,0]=4 5394 B9R1.82 COC(=O)C1CC(C1)N MCULE-6848727495 [0,1,0,1,0,0|2,0,0]=4 5395 B9R1.82 COC(=O)C1CC(C1)N MCULE-7901580981 [0,1,0,1,0,0|2,0,0]=4 5396 B9R1.82 COC(=O)C1CC(C1)O MCULE-3261368737 [0,1,0,1,0,0|2,0,0]=4 5397 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)Br MCULE-9276010203 [0,1,0,1,0,0|2,0,0]=4 5398 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N MCULE-7126562831 [0,1,0,1,0,0|2,0,0]=4 5399 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N MCULE-9087679760 [0,1,0,1,0,0|2,0,0]=4 5400 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O MCULE-8119011760 [0,1,0,1,0,0|2,0,0]=4 5401 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N MCULE-1208738380 [0,1,0,1,0,0|2,0,0]=4 5402 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N MCULE-4735817474 [0,1,0,1,0,0|2,0,0]=4 5403 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O MCULE-5931352731 [0,1,0,1,0,0|2,0,0]=4 5404 B9R1.88 COC(=O)C1CC1CN MCULE-1236079239 [0,1,0,1,0,0|2,0,0]=4 5405 B9R1.88 COC(=O)C1CC1CN MCULE-4562850748 [0,1,0,1,0,0|2,0,0]=4 5406 B9R1.88 COC(=O)C1CC1CO MCULE-5565427339 [0,1,0,1,0,0|2,0,0]=4 5407 B9R1.88 COC(=O)[C@@H]1C[C@H]1CBr MCULE-3300025556 [0,1,0,1,0,0|2,0,0]=4 5408 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-3830996710 [0,1,0,1,0,0|2,0,0]=4 5409 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-8401143479 [0,1,0,1,0,0|2,0,0]=4 5410 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO MCULE-2397945276 [0,1,0,1,0,0|2,0,0]=4 5411 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO MCULE-8447681594 [0,1,0,1,0,0|2,0,0]=4 5412 B9R1.135 CCOC1CC(=O)C1C MCULE-6272881556 [0,1,0,1,0,0|2,0,0]=4 5413 B9R1.135 CCOC1CC(=O)C1Cl MCULE-3624754111 [0,1,0,1,0,0|2,0,0]=4 5414 B9R1.186 CNC(=O)C1(COC1)N MCULE-2205559430 [0,1,0,1,0,0|2,0,0]=4 5415 B9R1.186 COC(=O)C1(CCC1)Br MCULE-8163588898 [0,1,0,1,0,0|1,0,0]=3 5416 B9R1.186 COC(=O)C1(CCC1)C MCULE-4295306660 [0,1,0,1,0,0|1,0,0]=3 5417 B9R1.186 COC(=O)C1(CCC1)N MCULE-4561399895 [0,1,0,1,0,0|0,0,0]=2 5418 B9R1.186 COC(=O)C1(CCC1)N MCULE-6643904748 [0,1,0,1,0,0|0,0,0]=2 5419 B9R1.186 COC(=O)C1(CCC1)O MCULE-9685086952 [0,1,0,1,0,0|1,0,0]=3 5420 B9R1.186 COC(=O)C1(CCN1)C MCULE-7183976970 [0,1,0,1,0,0|2,0,0]=4 5421 B9R1.186 COC(=O)C1(CCN1)C MCULE-7540921007 [0,1,0,1,0,0|2,0,0]=4 5422 B9R1.186 COC(=O)C1(CNC1)C MCULE-1276155967 [0,1,0,1,0,0|2,0,0]=4 5423 B9R1.186 COC(=O)C1(CNC1)C MCULE-9741948554 [0,1,0,1,0,0|2,0,0]=4 5424 B9R1.186 COC(=O)C1(CNC1)F MCULE-4349625868 [0,1,0,1,0,0|2,0,0]=4 5425 B9R1.186 COC(=O)C1(CNC1)F MCULE-6589739194 [0,1,0,1,0,0|2,0,0]=4 5426 B9R1.186 COC(=O)C1(CNC1)O MCULE-4998959697 [0,1,0,1,0,0|2,0,0]=4 5427 B9R1.186 COC(=O)C1(CNC1)O MCULE-7985614560 [0,1,0,1,0,0|2,0,0]=4 5428 B9R1.186 COC(=O)C1(COC1)C MCULE-3679844068 [0,1,0,1,0,0|2,0,0]=4 5429 B9R1.186 COC(=O)C1(COC1)N MCULE-4240909479 [0,1,0,1,0,0|1,0,0]=3 5430 B9R1.186 COC(=O)[C@@]1(CCN1)C MCULE-6518097292 [0,1,0,1,0,0|2,0,0]=4 5431 B9R1.186 COC(=O)[C@@]1(CCN1)C MCULE-7597317458 [0,1,0,1,0,0|2,0,0]=4 5432 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [0,1,0,1,0,0|1,0,1]=4 5433 B9R1.6 C1(CCCNC1)C(=O)N MCULE-1974021716 [0,1,0,1,0,0|1,0,0]=3 5434 B9R1.6 C1(CCCNC1)C(=O)N MCULE-3484822743 [0,1,0,1,0,0|1,0,0]=3 5435 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,1,0,1,0,0|0,0,0]=2 5436 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [0,1,0,1,0,0|0,0,0]=2 5437 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [0,1,0,1,0,0|0,0,0]=2 5438 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [0,1,0,1,0,0|0,0,0]=2 5439 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [0,1,0,1,0,0|0,0,0]=2 5440 B9R1.6 C=C(O)C1CNCCN1 MCULE-4032832858 [0,1,0,1,0,0|1,0,0]=3 5441 B9R1.6 C=C(O)C1CNCCN1 MCULE-7014741917 [0,1,0,1,0,0|1,0,0]=3 5442 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [0,1,0,1,0,0|2,0,0]=4 5443 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,1,0,1,0,0|1,0,0]=3 5444 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,1,0,1,0,0|1,0,0]=3 5445 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [0,1,0,1,0,0|2,0,0]=4 5446 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [0,1,0,1,0,0|1,0,0]=3 5447 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [0,1,0,1,0,0|1,0,0]=3 5448 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [0,1,0,1,0,0|2,0,0]=4 5449 B9R1.6 CC(=O)C1CCNCC1 MCULE-5629644359 [0,1,0,1,0,0|2,0,0]=4 5450 B9R1.6 CC(=O)C1CCNCC1 MCULE-7994490746 [0,1,0,1,0,0|2,0,0]=4 5451 B9R1.6 CC(=O)C1CCOCC1 MCULE-4829713073 [0,1,0,1,0,0|2,0,0]=4 5452 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [0,1,0,1,0,0|2,0,0]=4 5453 B9R1.6 CC(=O)C1CNCCO1 MCULE-1332213026 [0,1,0,1,0,0|2,0,0]=4 5454 B9R1.6 CC(=O)C1CNCCO1 MCULE-8599628301 [0,1,0,1,0,0|2,0,0]=4 5455 B9R1.6 CC(=O)C1COCCO1 MCULE-5168266299 [0,1,0,1,0,0|2,0,0]=4 5456 B9R1.6 CC(=O)N1CCCNC1 MCULE-1504945403 [0,1,0,1,0,0|2,0,0]=4 5457 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,1,0,1,0,0|1,0,0]=3 5458 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,1,0,1,0,0|1,0,0]=3 5459 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,1,0,1,0,0|1,0,0]=3 5460 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,1,0,1,0,0|1,0,0]=3 5461 B9R1.6 CC(O)C1CCCCN1 MCULE-2559324365 [0,1,0,1,0,0|1,0,1]=4 5462 B9R1.6 CC(O)C1CCCNC1 MCULE-2671166499 [0,1,0,1,0,0|1,0,1]=4 5463 B9R1.6 CC(O)C1CCCNC1 MCULE-3528761801 [0,1,0,1,0,0|1,0,1]=4 5464 B9R1.6 CC(O)C1CNCCN1 MCULE-7562437820 [0,1,0,1,0,0|1,0,1]=4 5465 B9R1.6 C[C@@H](O)[C@H]1CNCCN1 MCULE-2168214783 [0,1,0,1,0,0|1,0,1]=4 5466 B9R1.6 C[C@@H](O)[C@H]1CNCCN1 MCULE-8290718551 [0,1,0,1,0,0|1,0,1]=4 5467 B9R1.6 N=C(N)C1CCCCN1 MCULE-3219883116 [0,1,0,1,0,0|2,0,0]=4 5468 B9R1.6 N=C(N)C1CCCCN1 MCULE-8067475683 [0,1,0,1,0,0|2,0,0]=4 5469 B9R1.6 N=C(N)C1CCCNC1 MCULE-1952956995 [0,1,0,1,0,0|2,0,0]=4 5470 B9R1.6 N=C(N)C1CCCNC1 MCULE-5965162460 [0,1,0,1,0,0|2,0,0]=4 5471 B9R1.6 NC(=O)C1=CNCCC1 MCULE-5396085408 [0,1,0,1,0,0|1,0,1]=4 5472 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [0,1,0,1,0,0|2,0,0]=4 5473 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,1,0,1,0,0|1,0,0]=3 5474 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,1,0,1,0,0|1,0,0]=3 5475 B9R1.6 NC(=O)C1CCCNC1 MCULE-1833696438 [0,1,0,1,0,0|1,0,0]=3 5476 B9R1.6 NC(=O)C1CCCNC1 MCULE-5902080067 [0,1,0,1,0,0|1,0,0]=3 5477 B9R1.6 NC(=O)C1CCCOC1 MCULE-3754898627 [0,1,0,1,0,0|2,0,0]=4 5478 B9R1.6 NC(=O)C1CCNCC1 MCULE-8206211805 [0,1,0,1,0,0|2,0,0]=4 5479 B9R1.6 NC(=O)C1CCNCC1 MCULE-8840746533 [0,1,0,1,0,0|2,0,0]=4 5480 B9R1.6 NC(=O)C1CCOCC1 MCULE-1626473774 [0,1,0,1,0,0|2,0,0]=4 5481 B9R1.6 NC(=O)C1CNCCN1 MCULE-6032361805 [0,1,0,1,0,0|1,0,0]=3 5482 B9R1.6 NC(=O)C1CNCCN1 MCULE-7459621704 [0,1,0,1,0,0|1,0,0]=3 5483 B9R1.6 NC(=O)C1CNCCO1 MCULE-7045289444 [0,1,0,1,0,0|2,0,0]=4 5484 B9R1.6 NC(=O)C1CNCCO1 MCULE-8403360257 [0,1,0,1,0,0|2,0,0]=4 5485 B9R1.6 NC(=O)C1CNCCO1 MCULE-8477654103 [0,1,0,1,0,0|2,0,0]=4 5486 B9R1.6 NC(=O)C1COCCN1 MCULE-3997305592 [0,1,0,1,0,0|1,0,0]=3 5487 B9R1.6 NC(=O)C1COCCN1 MCULE-8679226087 [0,1,0,1,0,0|1,0,0]=3 5488 B9R1.6 NC(=O)C1CSCCN1 MCULE-5519659168 [0,1,0,1,0,0|1,0,0]=3 5489 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-1302948446 [0,1,0,1,0,0|1,0,0]=3 5490 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-3790099707 [0,1,0,1,0,0|1,0,0]=3 5491 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-4105759578 [0,1,0,1,0,0|1,0,0]=3 5492 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-6022899132 [0,1,0,1,0,0|1,0,0]=3 5493 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3203472135 [0,1,0,1,0,0|1,0,0]=3 5494 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3866777440 [0,1,0,1,0,0|1,0,0]=3 5495 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-6105431602 [0,1,0,1,0,0|1,0,0]=3 5496 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-7727900968 [0,1,0,1,0,0|1,0,0]=3 5497 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,1,0,1,0,0|1,0,0]=3 5498 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-3568267883 [0,1,0,1,0,0|1,0,0]=3 5499 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-6403292667 [0,1,0,1,0,0|1,0,0]=3 5500 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-7433087477 [0,1,0,1,0,0|1,0,0]=3 5501 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-9069766695 [0,1,0,1,0,0|1,0,0]=3 5502 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-1527418805 [0,1,0,1,0,0|1,0,0]=3 5503 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-6529490056 [0,1,0,1,0,0|1,0,0]=3 5504 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-9894216692 [0,1,0,1,0,0|1,0,0]=3 5505 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-1904729907 [0,1,0,1,0,0|1,0,0]=3 5506 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7069433109 [0,1,0,1,0,0|1,0,0]=3 5507 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7970834070 [0,1,0,1,0,0|1,0,0]=3 5508 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-9117686776 [0,1,0,1,0,0|1,0,0]=3 5509 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [0,1,0,1,0,0|2,0,0]=4 5510 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [0,1,0,1,0,0|2,0,0]=4 5511 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-6549888109 [0,1,0,1,0,0|2,0,0]=4 5512 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-7154842850 [0,1,0,1,0,0|2,0,0]=4 5513 B9R1.6 O=C(Cl)C1CCOCC1 MCULE-5435965006 [0,1,0,1,0,0|2,0,0]=4 5514 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [0,1,0,1,0,0|2,0,0]=4 5515 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,1,0,1,0,0|1,0,1]=4 5516 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [0,1,0,1,0,0|1,0,1]=4 5517 B9R1.6 O=C(O)C1=CCCNC1 MCULE-7878143035 [0,1,0,1,0,0|0,0,2]=4 5518 B9R1.6 O=C(O)C1=CCCNC1 MCULE-9382105537 [0,1,0,1,0,0|0,0,2]=4 5519 B9R1.6 O=C(O)C1=CCCOC1 MCULE-4597846034 [0,1,0,1,0,0|1,0,1]=4 5520 B9R1.6 O=C(O)C1=CCCSC1 MCULE-6991730217 [0,1,0,1,0,0|1,0,1]=4 5521 B9R1.6 O=C(O)C1=CCNCC1 MCULE-7813592729 [0,1,0,1,0,0|1,0,1]=4 5522 B9R1.6 O=C(O)C1=CCNCC1 MCULE-9446043448 [0,1,0,1,0,0|1,0,1]=4 5523 B9R1.6 O=C(O)C1=CCOCC1 MCULE-8602474600 [0,1,0,1,0,0|1,0,1]=4 5524 B9R1.6 O=C(O)C1=COCCC1 MCULE-4203786677 [0,1,0,1,0,0|1,0,1]=4 5525 B9R1.6 O=C(O)C1=NNCCC1 MCULE-7500831474 [0,1,0,1,0,0|0,0,1]=3 5526 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,1,0,1,0,0|1,0,0]=3 5527 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [0,1,0,1,0,0|1,0,1]=4 5528 B9R1.6 O=C(O)C1CC=CCO1 MCULE-5751437850 [0,1,0,1,0,0|1,0,1]=4 5529 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [0,1,0,1,0,0|1,0,1]=4 5530 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,1,0,1,0,0|1,0,0]=3 5531 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,1,0,1,0,0|0,0,0]=2 5532 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,1,0,1,0,0|0,0,0]=2 5533 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,1,0,1,0,0|0,0,0]=2 5534 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,1,0,1,0,0|0,0,0]=2 5535 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,1,0,1,0,0|1,0,0]=3 5536 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,1,0,1,0,0|1,0,0]=3 5537 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,1,0,1,0,0|0,0,0]=2 5538 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,1,0,1,0,0|0,0,0]=2 5539 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,1,0,1,0,0|0,0,0]=2 5540 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [0,1,0,1,0,0|0,0,0]=2 5541 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [0,1,0,1,0,0|0,0,0]=2 5542 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,1,0,1,0,0|1,0,0]=3 5543 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,1,0,1,0,0|1,0,0]=3 5544 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,1,0,1,0,0|1,0,0]=3 5545 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,1,0,1,0,0|1,0,0]=3 5546 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,1,0,1,0,0|1,0,0]=3 5547 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,1,0,1,0,0|0,0,0]=2 5548 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,1,0,1,0,0|0,0,0]=2 5549 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,1,0,1,0,0|1,0,0]=3 5550 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,1,0,1,0,0|0,0,0]=2 5551 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,1,0,1,0,0|0,0,0]=2 5552 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [0,1,0,1,0,0|0,0,0]=2 5553 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [0,1,0,1,0,0|0,0,0]=2 5554 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [0,1,0,1,0,0|0,0,0]=2 5555 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [0,1,0,1,0,0|1,0,0]=3 5556 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [0,1,0,1,0,0|1,0,0]=3 5557 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [0,1,0,1,0,0|1,0,0]=3 5558 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [0,1,0,1,0,0|1,0,0]=3 5559 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [0,1,0,1,0,0|1,0,0]=3 5560 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [0,1,0,1,0,0|1,0,0]=3 5561 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [0,1,0,1,0,0|0,0,0]=2 5562 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [0,1,0,1,0,0|0,0,0]=2 5563 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [0,1,0,1,0,0|1,0,0]=3 5564 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [0,1,0,1,0,0|1,0,0]=3 5565 B9R1.6 O=C(O)C1COCOC1 MCULE-4867087023 [0,1,0,1,0,0|2,0,0]=4 5566 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [0,1,0,1,0,0|0,0,0]=2 5567 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [0,1,0,1,0,0|0,0,0]=2 5568 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [0,1,0,1,0,0|1,0,0]=3 5569 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [0,1,0,1,0,0|0,0,0]=2 5570 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [0,1,0,1,0,0|1,0,0]=3 5571 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [0,1,0,1,0,0|1,0,0]=3 5572 B9R1.6 O=C(O)C1SCSCS1 MCULE-6847986458 [0,1,0,1,0,0|2,0,0]=4 5573 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,1,0,1,0,0|2,0,0]=4 5574 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,1,0,1,0,0|2,0,0]=4 5575 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [0,1,0,1,0,0|2,0,0]=4 5576 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [0,1,0,1,0,0|2,0,0]=4 5577 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,1,0,1,0,0|2,0,0]=4 5578 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [0,1,0,1,0,0|1,0,1]=4 5579 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [0,1,0,1,0,0|1,0,1]=4 5580 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,1,0,1,0,0|0,0,0]=2 5581 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,1,0,1,0,0|0,0,0]=2 5582 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,1,0,1,0,0|0,0,0]=2 5583 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,1,0,1,0,0|0,0,0]=2 5584 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,1,0,1,0,0|1,0,0]=3 5585 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,1,0,1,0,0|1,0,0]=3 5586 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,1,0,1,0,0|0,0,0]=2 5587 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,1,0,1,0,0|0,0,0]=2 5588 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,1,0,1,0,0|0,0,0]=2 5589 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,1,0,1,0,0|0,0,0]=2 5590 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [0,1,0,1,0,0|0,0,0]=2 5591 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [0,1,0,1,0,0|0,0,0]=2 5592 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [0,1,0,1,0,0|0,0,0]=2 5593 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,1,0,1,0,0|1,0,0]=3 5594 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,1,0,1,0,0|1,0,0]=3 5595 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [0,1,0,1,0,0|0,0,0]=2 5596 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [0,1,0,1,0,0|0,0,0]=2 5597 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [0,1,0,1,0,0|0,0,0]=2 5598 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [0,1,0,1,0,0|0,0,0]=2 5599 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [0,1,0,1,0,0|1,0,0]=3 5600 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [0,1,0,1,0,0|1,0,0]=3 5601 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [0,1,0,1,0,0|1,0,0]=3 5602 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [0,1,0,1,0,0|1,0,0]=3 5603 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [0,1,0,1,0,0|1,0,0]=3 5604 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [0,1,0,1,0,0|0,0,0]=2 5605 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [0,1,0,1,0,0|0,0,0]=2 5606 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [0,1,0,1,0,0|0,0,0]=2 5607 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [0,1,0,1,0,0|0,0,0]=2 5608 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [0,1,0,1,0,0|1,0,0]=3 5609 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [0,1,0,1,0,0|1,0,0]=3 5610 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [0,1,0,1,0,0|0,0,0]=2 5611 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [0,1,0,1,0,0|0,0,0]=2 5612 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [0,1,0,1,0,0|0,0,0]=2 5613 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [0,1,0,1,0,0|1,0,1]=4 5614 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [0,1,0,1,0,0|1,0,1]=4 5615 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,1,0,1,0,0|0,0,0]=2 5616 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,1,0,1,0,0|0,0,0]=2 5617 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,1,0,1,0,0|0,0,0]=2 5618 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,1,0,1,0,0|0,0,0]=2 5619 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,1,0,1,0,0|1,0,0]=3 5620 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,1,0,1,0,0|1,0,0]=3 5621 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,1,0,1,0,0|0,0,0]=2 5622 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,1,0,1,0,0|0,0,0]=2 5623 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,1,0,1,0,0|0,0,0]=2 5624 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,1,0,1,0,0|0,0,0]=2 5625 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [0,1,0,1,0,0|0,0,0]=2 5626 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [0,1,0,1,0,0|0,0,0]=2 5627 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,1,0,1,0,0|1,0,0]=3 5628 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,1,0,1,0,0|1,0,0]=3 5629 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,1,0,1,0,0|1,0,0]=3 5630 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [0,1,0,1,0,0|0,0,0]=2 5631 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [0,1,0,1,0,0|0,0,0]=2 5632 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [0,1,0,1,0,0|0,0,0]=2 5633 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [0,1,0,1,0,0|0,0,0]=2 5634 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [0,1,0,1,0,0|0,0,0]=2 5635 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [0,1,0,1,0,0|1,0,0]=3 5636 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [0,1,0,1,0,0|1,0,0]=3 5637 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [0,1,0,1,0,0|1,0,0]=3 5638 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [0,1,0,1,0,0|1,0,0]=3 5639 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [0,1,0,1,0,0|1,0,0]=3 5640 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [0,1,0,1,0,0|0,0,0]=2 5641 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [0,1,0,1,0,0|0,0,0]=2 5642 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [0,1,0,1,0,0|0,0,0]=2 5643 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [0,1,0,1,0,0|0,0,0]=2 5644 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [0,1,0,1,0,0|1,0,0]=3 5645 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [0,1,0,1,0,0|1,0,0]=3 5646 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [0,1,0,1,0,0|0,0,0]=2 5647 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [0,1,0,1,0,0|0,0,0]=2 5648 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [0,1,0,1,0,0|0,0,0]=2 5649 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [0,1,0,1,0,0|1,0,1]=4 5650 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,1,0,1,0,0|0,0,1]=3 5651 B9R1.6 O=S(O)C1CCCCC1 MCULE-2447383910 [0,1,0,1,0,0|2,0,0]=4 5652 B9R1.6 OB(O)C1CCCNC1 MCULE-9145993336 [0,1,0,1,0,0|1,0,1]=4 5653 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [0,1,0,1,0,0|0,0,0]=2 5654 B9R1.23 CN1CC(OC1=O)CBr MCULE-4776102856 [0,1,0,1,0,0|2,0,0]=4 5655 B9R1.23 CN1CC(OC1=O)CO MCULE-5538633197 [0,1,0,1,0,0|2,0,0]=4 5656 B9R1.23 CN1C[C@@H](OC1=O)CBr MCULE-3550491195 [0,1,0,1,0,0|2,0,0]=4 5657 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4135827262 [0,1,0,1,0,0|2,0,0]=4 5658 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4222195719 [0,1,0,1,0,0|2,0,0]=4 5659 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-1843344905 [0,1,0,1,0,0|2,0,0]=4 5660 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-7113883697 [0,1,0,1,0,0|2,0,0]=4 5661 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-5673899033 [0,1,0,1,0,0|2,0,0]=4 5662 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-7788246551 [0,1,0,1,0,0|2,0,0]=4 5663 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,1,0,1,0,0|1,0,1]=4 5664 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,1,0,1,0,0|1,0,1]=4 5665 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,1,0,1,0,0|1,0,0]=3 5666 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,1,0,1,0,0|1,0,0]=3 5667 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,1,0,1,0,0|1,0,1]=4 5668 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [0,1,0,1,0,0|2,0,0]=4 5669 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,1,0,1,0,0|1,0,1]=4 5670 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,1,0,1,0,0|0,0,1]=3 5671 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,1,0,1,0,0|0,0,1]=3 5672 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,1,0,1,0,0|0,0,2]=4 5673 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [0,1,0,1,0,0|0,0,2]=4 5674 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [0,1,0,1,0,0|0,0,2]=4 5675 B9R1.35 CC1CC(=NO1)C(=O)O MCULE-8733803647 [0,1,0,1,0,0|0,0,2]=4 5676 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,1,0,1,0,0|1,0,0]=3 5677 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,1,0,1,0,0|1,0,0]=3 5678 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,1,0,1,0,0|0,0,0]=2 5679 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,1,0,1,0,0|0,0,0]=2 5680 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,1,0,1,0,0|1,0,0]=3 5681 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,1,0,1,0,0|0,0,0]=2 5682 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,1,0,1,0,0|0,0,0]=2 5683 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,1,0,1,0,0|1,0,0]=3 5684 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [0,1,0,1,0,0|0,0,0]=2 5685 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [0,1,0,1,0,0|0,0,0]=2 5686 B9R1.35 CN1C=NC(C1)C(=O)O MCULE-4940976118 [0,1,0,1,0,0|1,0,1]=4 5687 B9R1.35 CN1C=NC(C1)C(=O)O MCULE-8264815969 [0,1,0,1,0,0|1,0,1]=4 5688 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,1,0,1,0,0|1,0,0]=3 5689 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,1,0,1,0,0|1,0,0]=3 5690 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,1,0,1,0,0|1,0,0]=3 5691 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,1,0,1,0,0|1,0,0]=3 5692 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,1,0,1,0,0|1,0,0]=3 5693 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,1,0,1,0,0|1,0,0]=3 5694 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,1,0,1,0,0|1,0,0]=3 5695 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,1,0,1,0,0|1,0,0]=3 5696 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,1,0,1,0,0|0,0,0]=2 5697 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,1,0,1,0,0|0,0,0]=2 5698 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,1,0,1,0,0|1,0,0]=3 5699 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,1,0,1,0,0|1,0,0]=3 5700 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,1,0,1,0,0|0,0,0]=2 5701 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,1,0,1,0,0|0,0,0]=2 5702 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,1,0,1,0,0|0,0,0]=2 5703 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,1,0,1,0,0|0,0,0]=2 5704 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,1,0,1,0,0|0,0,0]=2 5705 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,1,0,1,0,0|0,0,0]=2 5706 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,1,0,1,0,0|0,0,0]=2 5707 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,1,0,1,0,0|0,0,0]=2 5708 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,1,0,1,0,0|0,0,0]=2 5709 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,1,0,1,0,0|0,0,0]=2 5710 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,1,0,1,0,0|0,0,0]=2 5711 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,1,0,1,0,0|0,0,0]=2 5712 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,1,0,1,0,0|0,0,0]=2 5713 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,1,0,1,0,0|0,0,0]=2 5714 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,1,0,1,0,0|0,0,0]=2 5715 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,1,0,1,0,0|0,0,0]=2 5716 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,1,0,1,0,0|0,0,0]=2 5717 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,1,0,1,0,0|0,0,0]=2 5718 B9R1.35 NC(=O)C1CC(CN1)F MCULE-8271084148 [0,1,0,1,0,0|1,0,0]=3 5719 B9R1.35 NC(=O)C1CC(CN1)F MCULE-9864087367 [0,1,0,1,0,0|1,0,0]=3 5720 B9R1.35 NC(=O)C1CC(CN1)O MCULE-8628888959 [0,1,0,1,0,0|1,0,0]=3 5721 B9R1.35 NC(=O)C1CC(CN1)O MCULE-9327040437 [0,1,0,1,0,0|1,0,0]=3 5722 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,1,0,1,0,0|1,0,1]=4 5723 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,1,0,1,0,0|1,0,1]=4 5724 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,1,0,1,0,0|1,0,1]=4 5725 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,1,0,1,0,0|2,0,0]=4 5726 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,1,0,1,0,0|2,0,0]=4 5727 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-1115995515 [0,1,0,1,0,0|1,0,0]=3 5728 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-3958905536 [0,1,0,1,0,0|1,0,0]=3 5729 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-5421731805 [0,1,0,1,0,0|1,0,0]=3 5730 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-9864372515 [0,1,0,1,0,0|1,0,0]=3 5731 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-1506534259 [0,1,0,1,0,0|1,0,0]=3 5732 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-4335155413 [0,1,0,1,0,0|1,0,0]=3 5733 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2111867079 [0,1,0,1,0,0|1,0,0]=3 5734 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2486268743 [0,1,0,1,0,0|1,0,0]=3 5735 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-8625619596 [0,1,0,1,0,0|1,0,0]=3 5736 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-1442980635 [0,1,0,1,0,0|1,0,0]=3 5737 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-4854132547 [0,1,0,1,0,0|1,0,0]=3 5738 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-8175631848 [0,1,0,1,0,0|1,0,0]=3 5739 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-9092665787 [0,1,0,1,0,0|1,0,0]=3 5740 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-1212665796 [0,1,0,1,0,0|1,0,0]=3 5741 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2172080185 [0,1,0,1,0,0|1,0,0]=3 5742 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2463066874 [0,1,0,1,0,0|1,0,0]=3 5743 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-7245012102 [0,1,0,1,0,0|1,0,0]=3 5744 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-7513224290 [0,1,0,1,0,0|1,0,1]=4 5745 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-8369262706 [0,1,0,1,0,0|1,0,1]=4 5746 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-7944190057 [0,1,0,1,0,0|1,0,1]=4 5747 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-9202589777 [0,1,0,1,0,0|1,0,1]=4 5748 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,1,0,1,0,0|1,0,0]=3 5749 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,1,0,1,0,0|1,0,0]=3 5750 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,1,0,1,0,0|0,0,0]=2 5751 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,1,0,1,0,0|0,0,0]=2 5752 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-2058033578 [0,1,0,1,0,0|1,0,1]=4 5753 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-3535904120 [0,1,0,1,0,0|1,0,1]=4 5754 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-7864688668 [0,1,0,1,0,0|1,0,1]=4 5755 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-9488093105 [0,1,0,1,0,0|1,0,1]=4 5756 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,1,0,1,0,0|1,0,0]=3 5757 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,1,0,1,0,0|1,0,0]=3 5758 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,1,0,1,0,0|1,0,0]=3 5759 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,1,0,1,0,0|1,0,0]=3 5760 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,1,0,1,0,0|1,0,0]=3 5761 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,1,0,1,0,0|1,0,0]=3 5762 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,1,0,1,0,0|1,0,0]=3 5763 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,1,0,1,0,0|1,0,0]=3 5764 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,1,0,1,0,0|0,0,0]=2 5765 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,1,0,1,0,0|0,0,0]=2 5766 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,1,0,1,0,0|0,0,0]=2 5767 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,1,0,1,0,0|0,0,0]=2 5768 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,1,0,1,0,0|0,0,0]=2 5769 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,1,0,1,0,0|0,0,0]=2 5770 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,1,0,1,0,0|0,0,0]=2 5771 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,1,0,1,0,0|0,0,0]=2 5772 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-1866924065 [0,1,0,1,0,0|1,0,1]=4 5773 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-5420586850 [0,1,0,1,0,0|1,0,1]=4 5774 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-6933168017 [0,1,0,1,0,0|1,0,1]=4 5775 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-1923367161 [0,1,0,1,0,0|1,0,1]=4 5776 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2558762790 [0,1,0,1,0,0|1,0,1]=4 5777 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2767032719 [0,1,0,1,0,0|1,0,1]=4 5778 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-3230012761 [0,1,0,1,0,0|1,0,1]=4 5779 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-5898455500 [0,1,0,1,0,0|1,0,1]=4 5780 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-8841082803 [0,1,0,1,0,0|1,0,1]=4 5781 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,1,0,1,0,0|1,0,0]=3 5782 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,1,0,1,0,0|1,0,0]=3 5783 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,1,0,1,0,0|1,0,0]=3 5784 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,1,0,1,0,0|1,0,0]=3 5785 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,1,0,1,0,0|1,0,0]=3 5786 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,1,0,1,0,0|1,0,0]=3 5787 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,1,0,1,0,0|1,0,0]=3 5788 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,1,0,1,0,0|1,0,0]=3 5789 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,1,0,1,0,0|1,0,0]=3 5790 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,1,0,1,0,0|1,0,0]=3 5791 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,1,0,1,0,0|0,0,0]=2 5792 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,1,0,1,0,0|0,0,0]=2 5793 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,1,0,1,0,0|0,0,0]=2 5794 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,1,0,1,0,0|0,0,0]=2 5795 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,1,0,1,0,0|0,0,0]=2 5796 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,1,0,1,0,0|0,0,0]=2 5797 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,1,0,1,0,0|0,0,0]=2 5798 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,1,0,1,0,0|0,0,0]=2 5799 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,1,0,1,0,0|0,0,0]=2 5800 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,1,0,1,0,0|1,0,1]=4 5801 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,1,0,1,0,0|0,0,0]=2 5802 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,1,0,1,0,0|0,0,0]=2 5803 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,1,0,1,0,0|0,0,0]=2 5804 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,1,0,1,0,0|0,0,0]=2 5805 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,1,0,1,0,0|0,0,0]=2 5806 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,1,0,1,0,0|0,0,0]=2 5807 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,1,0,1,0,0|0,0,0]=2 5808 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,1,0,1,0,0|1,0,0]=3 5809 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,1,0,1,0,0|1,0,0]=3 5810 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,1,0,1,0,0|1,0,0]=3 5811 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [0,1,0,1,0,0|1,0,1]=4 5812 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,1,0,1,0,0|2,0,0]=4 5813 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,1,0,1,0,0|0,0,0]=2 5814 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,1,0,1,0,0|0,0,0]=2 5815 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,1,0,1,0,0|0,0,0]=2 5816 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,1,0,1,0,0|1,0,0]=3 5817 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,1,0,1,0,0|1,0,0]=3 5818 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,1,0,1,0,0|1,0,0]=3 5819 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [0,1,0,1,0,0|1,0,1]=4 5820 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [0,1,0,1,0,0|1,0,1]=4 5821 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,1,0,1,0,0|0,0,0]=2 5822 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,1,0,1,0,0|0,0,0]=2 5823 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,1,0,1,0,0|0,0,0]=2 5824 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,1,0,1,0,0|0,0,0]=2 5825 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,1,0,1,0,0|0,0,0]=2 5826 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,1,0,1,0,0|0,0,0]=2 5827 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,1,0,1,0,0|0,0,0]=2 5828 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,1,0,1,0,0|0,0,0]=2 5829 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,1,0,1,0,0|0,0,0]=2 5830 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,1,0,1,0,0|0,0,0]=2 5831 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,1,0,1,0,0|0,0,0]=2 5832 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,1,0,1,0,0|0,0,0]=2 5833 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,1,0,1,0,0|0,0,0]=2 5834 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,1,0,1,0,0|0,0,0]=2 5835 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,1,0,1,0,0|0,0,0]=2 5836 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,1,0,1,0,0|0,0,0]=2 5837 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,1,0,1,0,0|0,0,0]=2 5838 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,1,0,1,0,0|0,0,0]=2 5839 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,1,0,1,0,0|0,0,0]=2 5840 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,1,0,1,0,0|0,0,0]=2 5841 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,1,0,1,0,0|0,0,0]=2 5842 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,1,0,1,0,0|0,0,0]=2 5843 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,1,0,1,0,0|0,0,0]=2 5844 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,1,0,1,0,0|0,0,0]=2 5845 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,1,0,1,0,0|0,0,0]=2 5846 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,1,0,1,0,0|0,0,0]=2 5847 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,1,0,1,0,0|0,0,0]=2 5848 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,1,0,1,0,0|0,0,0]=2 5849 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,1,0,1,0,0|0,0,0]=2 5850 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,1,0,1,0,0|1,0,0]=3 5851 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,1,0,1,0,0|1,0,0]=3 5852 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,1,0,1,0,0|1,0,0]=3 5853 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,1,0,1,0,0|0,0,0]=2 5854 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,1,0,1,0,0|0,0,0]=2 5855 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,1,0,1,0,0|0,0,0]=2 5856 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,1,0,1,0,0|0,0,0]=2 5857 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,1,0,1,0,0|0,0,0]=2 5858 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,1,0,1,0,0|0,0,0]=2 5859 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,1,0,1,0,0|0,0,0]=2 5860 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,1,0,1,0,0|0,0,0]=2 5861 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,1,0,1,0,0|0,0,0]=2 5862 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,1,0,1,0,0|0,0,0]=2 5863 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,1,0,1,0,0|0,0,0]=2 5864 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,1,0,1,0,0|0,0,0]=2 5865 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,1,0,1,0,0|0,0,0]=2 5866 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,1,0,1,0,0|0,0,0]=2 5867 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,1,0,1,0,0|0,0,0]=2 5868 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,1,0,1,0,0|0,0,0]=2 5869 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,1,0,1,0,0|1,0,1]=4 5870 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,1,0,1,0,0|1,0,1]=4 5871 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,1,0,1,0,0|1,0,1]=4 5872 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,1,0,1,0,0|1,0,1]=4 5873 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,1,0,1,0,0|0,0,1]=3 5874 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,1,0,1,0,0|0,0,1]=3 5875 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,1,0,1,0,0|0,0,2]=4 5876 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,1,0,1,0,0|1,0,1]=4 5877 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,1,0,1,0,0|1,0,1]=4 5878 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,1,0,1,0,0|1,0,1]=4 5879 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,1,0,1,0,0|1,0,1]=4 5880 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,1,0,1,0,0|0,0,1]=3 5881 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,1,0,1,0,0|0,0,1]=3 5882 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,1,0,1,0,0|1,0,1]=4 5883 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,1,0,1,0,0|1,0,1]=4 5884 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,1,0,1,0,0|1,0,1]=4 5885 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,1,0,1,0,0|1,0,1]=4 5886 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,1,0,1,0,0|0,0,1]=3 5887 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,1,0,1,0,0|0,0,1]=3 5888 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,1,0,1,0,0|0,0,1]=3 5889 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,1,0,1,0,0|0,0,2]=4 5890 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,1,0,1,0,0|0,0,2]=4 5891 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,1,0,1,0,0|1,0,1]=4 5892 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,1,0,1,0,0|1,0,1]=4 5893 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,1,0,1,0,0|1,0,1]=4 5894 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,1,0,1,0,0|0,0,1]=3 5895 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,1,0,1,0,0|0,0,1]=3 5896 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,1,0,1,0,0|0,0,1]=3 5897 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,1,0,1,0,0|0,0,1]=3 5898 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,1,0,1,0,0|0,0,1]=3 5899 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,1,0,1,0,0|0,0,1]=3 5900 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,1,0,1,0,0|0,0,1]=3 5901 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,1,0,1,0,0|0,0,1]=3 5902 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,1,0,1,0,0|1,0,1]=4 5903 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,1,0,1,0,0|1,0,1]=4 5904 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,1,0,1,0,0|1,0,1]=4 5905 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,1,0,1,0,0|1,0,1]=4 5906 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,1,0,1,0,0|1,0,1]=4 5907 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,1,0,1,0,0|1,0,1]=4 5908 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,1,0,1,0,0|1,0,1]=4 5909 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,1,0,1,0,0|1,0,1]=4 5910 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,1,0,1,0,0|1,0,1]=4 5911 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,1,0,1,0,0|1,0,1]=4 5912 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,1,0,1,0,0|1,0,1]=4 5913 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,1,0,1,0,0|1,0,1]=4 5914 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,1,0,1,0,0|1,0,1]=4 5915 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,1,0,1,0,0|1,0,1]=4 5916 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,1,0,1,0,0|1,0,1]=4 5917 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,1,0,1,0,0|1,0,1]=4 5918 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,1,0,1,0,0|1,0,1]=4 5919 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,1,0,1,0,0|1,0,1]=4 5920 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,1,0,1,0,0|1,0,1]=4 5921 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,1,0,1,0,0|1,0,1]=4 5922 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,1,0,1,0,0|0,0,0]=2 5923 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,1,0,1,0,0|1,0,0]=3 5924 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,1,0,1,0,0|1,0,0]=3 5925 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2355223336 [0,1,0,1,0,0|1,0,0]=3 5926 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2483830451 [0,1,0,1,0,0|1,0,0]=3 5927 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,1,0,1,0,0|0,0,0]=2 5928 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,1,0,1,0,0|0,0,0]=2 5929 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,1,0,1,0,0|0,0,0]=2 5930 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,1,0,1,0,0|0,0,0]=2 5931 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,1,0,1,0,0|0,0,0]=2 5932 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,1,0,1,0,0|0,0,0]=2 5933 B9R1.40 CC1(CCCCC1=O)C MCULE-8496149275 [0,1,0,1,0,0|2,0,0]=4 5934 B9R1.40 CC1(CCCCC1=O)Cl MCULE-4801960774 [0,1,0,1,0,0|2,0,0]=4 5935 B9R1.40 CC1(CCCCC1N)O MCULE-5300265774 [0,1,0,1,0,0|1,0,1]=4 5936 B9R1.40 CC1(CCCNC1=O)C MCULE-4245207122 [0,1,0,1,0,0|2,0,0]=4 5937 B9R1.40 CC1(CCCNC1=O)N MCULE-5500513283 [0,1,0,1,0,0|1,0,0]=3 5938 B9R1.40 CC1(CCCNC1=O)N MCULE-5995809623 [0,1,0,1,0,0|1,0,0]=3 5939 B9R1.40 CC1(CCCOC1=O)C MCULE-9200729474 [0,1,0,1,0,0|1,0,0]=3 5940 B9R1.40 CC1(NCCOC1=O)C MCULE-4468431509 [0,1,0,1,0,0|2,0,0]=4 5941 B9R1.40 O=C1CCCCC1(F)F MCULE-1502967187 [0,1,0,1,0,0|2,0,0]=4 5942 B9R1.40 O=C1NCCCC1(Br)Br MCULE-8489547230 [0,1,0,1,0,0|2,0,0]=4 5943 B9R1.40 O=C1NCCCC1(F)F MCULE-9481984803 [0,1,0,1,0,0|2,0,0]=4 5944 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,1,0,1,0,0|1,0,0]=3 5945 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,1,0,1,0,0|1,0,0]=3 5946 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,1,0,1,0,0|1,0,0]=3 5947 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,1,0,1,0,0|1,0,0]=3 5948 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,1,0,1,0,0|1,0,0]=3 5949 B9R1.95 COC1CC(C1)C(=O)C MCULE-5091337590 [0,1,0,1,0,0|2,0,0]=4 5950 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,1,0,1,0,0|1,0,0]=3 5951 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,1,0,1,0,0|1,0,0]=3 5952 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,1,0,1,0,0|1,0,0]=3 5953 B9R1.95 N#CC1CC(C1)C(=O)O MCULE-9043105457 [0,1,0,1,0,0|1,0,1]=4 5954 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,1,0,1,0,0|1,0,0]=3 5955 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,1,0,1,0,0|1,0,0]=3 5956 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,1,0,1,0,0|1,0,0]=3 5957 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,1,0,1,0,0|1,0,0]=3 5958 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,1,0,1,0,0|1,0,0]=3 5959 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,1,0,1,0,0|1,0,0]=3 5960 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,1,0,1,0,0|1,0,0]=3 5961 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,1,0,1,0,0|1,0,0]=3 5962 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,1,0,1,0,0|1,0,0]=3 5963 B9R1.95 O=C([O-])[C@H]1C[C@@H](C1)CO MCULE-8717273234 [0,1,0,1,0,0|1,0,1]=4 5964 B9R1.112 C/C(=C\C1CC1)/C(=O)O MCULE-1913340747 [0,1,0,1,0,0|1,0,1]=4 5965 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,1,0,1,0,0|1,0,0]=3 5966 B9R1.112 CC(SC1CC1)C(=O)O MCULE-6918133296 [0,1,0,1,0,0|1,0,0]=3 5967 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [0,1,0,1,0,0|1,0,0]=3 5968 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [0,1,0,1,0,0|1,0,0]=3 5969 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-3167502244 [0,1,0,1,0,0|1,0,0]=3 5970 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-8140131300 [0,1,0,1,0,0|1,0,0]=3 5971 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-4142673004 [0,1,0,1,0,0|1,0,0]=3 5972 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-6535973441 [0,1,0,1,0,0|1,0,0]=3 5973 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,1,0,1,0,0|0,0,0]=2 5974 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,1,0,1,0,0|0,0,0]=2 5975 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,1,0,1,0,0|0,0,0]=2 5976 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,1,0,1,0,0|0,0,0]=2 5977 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,1,0,1,0,0|0,0,0]=2 5978 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,1,0,1,0,0|0,0,0]=2 5979 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,1,0,1,0,0|0,0,0]=2 5980 B9R1.112 O=C(O)C(=CC1CC1)F MCULE-7624994357 [0,1,0,1,0,0|1,0,1]=4 5981 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [0,1,0,1,0,0|1,0,1]=4 5982 B9R1.112 O=C(O)C(=O)NC1CC1 MCULE-7988086119 [0,1,0,1,0,0|1,0,1]=4 5983 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,1,0,1,0,0|1,0,0]=3 5984 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,1,0,1,0,0|1,0,0]=3 5985 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,1,0,1,0,0|1,0,0]=3 5986 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,1,0,1,0,0|1,0,0]=3 5987 B9R1.163 CC(=O)C1(CCCC1)C MCULE-7946764519 [0,1,0,1,0,0|2,0,0]=4 5988 B9R1.163 CC(=O)C1(CCCC1)N MCULE-1766488888 [0,1,0,1,0,0|1,0,0]=3 5989 B9R1.163 CC(=O)C1(CCCC1)N MCULE-2390313394 [0,1,0,1,0,0|1,0,0]=3 5990 B9R1.163 CC(=O)C1(CCCC1)O MCULE-4607553416 [0,1,0,1,0,0|2,0,0]=4 5991 B9R1.163 CC(=O)C1(CCCO1)C MCULE-3832225855 [0,1,0,1,0,0|2,0,0]=4 5992 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [0,1,0,1,0,0|1,0,1]=4 5993 B9R1.163 CC1(CC=CC1)C(=O)O MCULE-6612456038 [0,1,0,1,0,0|1,0,1]=4 5994 B9R1.163 CC1(CCCC1)C(=O)Cl MCULE-6905026517 [0,1,0,1,0,0|2,0,0]=4 5995 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,1,0,1,0,0|1,0,0]=3 5996 B9R1.163 CC1(CCCN1)C(=O)N MCULE-1073156492 [0,1,0,1,0,0|1,0,0]=3 5997 B9R1.163 CC1(CCCN1)C(=O)N MCULE-4207908355 [0,1,0,1,0,0|1,0,0]=3 5998 B9R1.163 CC1(CCCN1)C(=O)N MCULE-5102556329 [0,1,0,1,0,0|1,0,0]=3 5999 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [0,1,0,1,0,0|0,0,0]=2 6000 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [0,1,0,1,0,0|0,0,0]=2 6001 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [0,1,0,1,0,0|0,0,0]=2 6002 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [0,1,0,1,0,0|0,0,0]=2 6003 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [0,1,0,1,0,0|0,0,0]=2 6004 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [0,1,0,1,0,0|1,0,0]=3 6005 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [0,1,0,1,0,0|1,0,0]=3 6006 B9R1.163 CC1(CCNC1)C(=O)N MCULE-9618767565 [0,1,0,1,0,0|2,0,0]=4 6007 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [0,1,0,1,0,0|1,0,0]=3 6008 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [0,1,0,1,0,0|1,0,0]=3 6009 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [0,1,0,1,0,0|1,0,0]=3 6010 B9R1.163 CC1(CSSC1)C(=O)O MCULE-1267186189 [0,1,0,1,0,0|2,0,0]=4 6011 B9R1.163 CC1(NCCS1)C(=O)O MCULE-3303237869 [0,1,0,1,0,0|1,0,0]=3 6012 B9R1.163 CC1(OCCO1)C(=O)O MCULE-6576803543 [0,1,0,1,0,0|2,0,0]=4 6013 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [0,1,0,1,0,0|0,0,0]=2 6014 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [0,1,0,1,0,0|0,0,0]=2 6015 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [0,1,0,1,0,0|0,0,0]=2 6016 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [0,1,0,1,0,0|0,0,0]=2 6017 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [0,1,0,1,0,0|1,0,0]=3 6018 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [0,1,0,1,0,0|1,0,0]=3 6019 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [0,1,0,1,0,0|1,0,0]=3 6020 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [0,1,0,1,0,0|1,0,0]=3 6021 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-4783754920 [0,1,0,1,0,0|1,0,0]=3 6022 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-7441682522 [0,1,0,1,0,0|1,0,0]=3 6023 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-8011663424 [0,1,0,1,0,0|1,0,0]=3 6024 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [0,1,0,1,0,0|0,0,0]=2 6025 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [0,1,0,1,0,0|0,0,0]=2 6026 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [0,1,0,1,0,0|0,0,0]=2 6027 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [0,1,0,1,0,0|0,0,0]=2 6028 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [0,1,0,1,0,0|1,0,0]=3 6029 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [0,1,0,1,0,0|1,0,0]=3 6030 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [0,1,0,1,0,0|1,0,0]=3 6031 B9R1.163 NC(=O)C1(CCCC1)N MCULE-1603183997 [0,1,0,1,0,0|1,0,0]=3 6032 B9R1.163 NC(=O)C1(CCCC1)N MCULE-6535833155 [0,1,0,1,0,0|1,0,0]=3 6033 B9R1.163 NC(=O)C1(CCCC1)O MCULE-7750018506 [0,1,0,1,0,0|2,0,0]=4 6034 B9R1.163 NC(=O)C1(CCNC1)F MCULE-2967472132 [0,1,0,1,0,0|2,0,0]=4 6035 B9R1.163 NC(=O)C1(CCNC1)O MCULE-3402125568 [0,1,0,1,0,0|2,0,0]=4 6036 B9R1.163 NC(=O)C1(CCNC1)O MCULE-4107989965 [0,1,0,1,0,0|2,0,0]=4 6037 B9R1.163 NC(=O)C1(CCSC1)N MCULE-1255795217 [0,1,0,1,0,0|1,0,0]=3 6038 B9R1.163 NC(=O)C1(CCSC1)O MCULE-2351837625 [0,1,0,1,0,0|2,0,0]=4 6039 B9R1.163 NC(=S)C1(CCCC1)N MCULE-1374309481 [0,1,0,1,0,0|1,1,0]=4 6040 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-1445980877 [0,1,0,1,0,0|0,0,1]=3 6041 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-5381827504 [0,1,0,1,0,0|0,0,1]=3 6042 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,1,0,1,0,0|0,0,0]=2 6043 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [0,1,0,1,0,0|0,0,0]=2 6044 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,1,0,1,0,0|0,0,0]=2 6045 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,1,0,1,0,0|0,0,0]=2 6046 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,1,0,1,0,0|0,0,0]=2 6047 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [0,1,0,1,0,0|0,0,0]=2 6048 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [0,1,0,1,0,0|0,0,0]=2 6049 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,1,0,1,0,0|0,0,0]=2 6050 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,1,0,1,0,0|0,0,0]=2 6051 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [0,1,0,1,0,0|0,0,0]=2 6052 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [0,1,0,1,0,0|0,0,0]=2 6053 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [0,1,0,1,0,0|0,0,0]=2 6054 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [0,1,0,1,0,0|0,0,0]=2 6055 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,1,0,1,0,0|0,0,0]=2 6056 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,1,0,1,0,0|0,0,0]=2 6057 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [0,1,0,1,0,0|0,0,0]=2 6058 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [0,1,0,1,0,0|0,0,0]=2 6059 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,1,0,1,0,0|1,0,0]=3 6060 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,1,0,1,0,0|1,0,0]=3 6061 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,1,0,1,0,0|1,0,0]=3 6062 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [0,1,0,1,0,0|1,0,0]=3 6063 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [0,1,0,1,0,0|1,0,0]=3 6064 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [0,1,0,1,0,0|1,0,0]=3 6065 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [0,1,0,1,0,0|1,0,0]=3 6066 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [0,1,0,1,0,0|1,0,0]=3 6067 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [0,1,0,1,0,0|1,0,0]=3 6068 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [0,1,0,1,0,0|1,0,0]=3 6069 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [0,1,0,1,0,0|1,0,0]=3 6070 B9R1.152 C=C1CC(C1)(C)C(=O)O MCULE-7205894158 [0,1,0,1,0,0|1,0,1]=4 6071 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,1,0,1,0,0|1,0,1]=4 6072 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,1,0,1,0,0|1,0,1]=4 6073 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-2576475336 [0,1,0,1,0,0|1,0,0]=3 6074 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-6535558159 [0,1,0,1,0,0|1,0,0]=3 6075 B9R1.152 CC1CC(C1)(C)C(=O)O MCULE-6119301322 [0,1,0,1,0,0|1,0,0]=3 6076 B9R1.152 CN1CC(C1)(C)C(=O)O MCULE-4633405499 [0,1,0,1,0,0|2,0,0]=4 6077 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4599601598 [0,1,0,1,0,0|1,0,0]=3 6078 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4763611062 [0,1,0,1,0,0|1,0,0]=3 6079 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-2054460365 [0,1,0,1,0,0|1,0,0]=3 6080 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-8615255294 [0,1,0,1,0,0|1,0,0]=3 6081 B9R1.152 C[C@H]1C[C@@](C1)(N)C(=O)O MCULE-7807418833 [0,1,0,1,0,0|0,0,0]=2 6082 B9R1.152 C[C@H]1C[C@](C1)(N)C(=O)O MCULE-2634950955 [0,1,0,1,0,0|0,0,0]=2 6083 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-5206815009 [0,1,0,1,0,0|0,0,0]=2 6084 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-9944960595 [0,1,0,1,0,0|0,0,0]=2 6085 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [0,1,0,1,0,0|0,0,0]=2 6086 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [0,1,0,1,0,0|0,0,0]=2 6087 B9R1.152 NC1CC(C1)(F)C(=O)O MCULE-8174066741 [0,1,0,1,0,0|1,0,0]=3 6088 B9R1.152 N[C@@]1(C[C@@H](C1)F)C(=O)O MCULE-3535102578 [0,1,0,1,0,0|0,0,0]=2 6089 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [0,1,0,1,0,0|0,0,0]=2 6090 B9R1.152 N[C@@]1(C[C@H](C1)F)C(=O)O MCULE-4417403698 [0,1,0,1,0,0|0,0,0]=2 6091 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,1,0,1,0,0|1,0,0]=3 6092 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)F MCULE-1599041261 [0,1,0,1,0,0|1,0,0]=3 6093 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,1,0,1,0,0|1,0,0]=3 6094 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)F MCULE-8929901678 [0,1,0,1,0,0|1,0,0]=3 6095 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,1,0,1,0,0|1,0,0]=3 6096 B9R1.165 CC(C)(C(=O)O)C1CC1 MCULE-6388172792 [0,1,0,1,0,0|1,0,0]=3 6097 B9R1.165 CC(N)(C(=O)N)C1CC1 MCULE-9753922744 [0,1,0,1,0,0|1,0,0]=3 6098 B9R1.165 CC(N)(C(=O)O)C1CC1 MCULE-5305811185 [0,1,0,1,0,0|0,0,0]=2 6099 B9R1.165 CC(N)(C(=O)O)C1CC1 MCULE-5428190802 [0,1,0,1,0,0|0,0,0]=2 6100 B9R1.165 CC(O)(C(=O)O)C1CC1 MCULE-4917199167 [0,1,0,1,0,0|1,0,0]=3 6101 B9R1.165 O=C(O)C(F)(F)C1CC1 MCULE-2348785938 [0,1,0,1,0,0|1,0,0]=3 6102 B9R1.165 O=C([O-])C(F)(F)C1CC1 MCULE-2363158043 [0,1,0,1,0,0|1,0,1]=4 6103 B9R1.179 CCCC1(CC1)C(=O)O MCULE-3737695448 [0,1,0,1,0,0|1,0,0]=3 6104 B9R1.179 CCOC1(CC1)C(=O)O MCULE-2011368943 [0,1,0,1,0,0|2,0,0]=4 6105 B9R1.179 CCSC1(CC1)C(=O)O MCULE-1424616643 [0,1,0,1,0,0|2,0,0]=4 6106 B9R1.179 CNCC1(CC1)C(=O)O MCULE-4156653448 [0,1,0,1,0,0|2,0,0]=4 6107 B9R1.179 CNCC1(CC1)C(=O)O MCULE-7565142951 [0,1,0,1,0,0|2,0,0]=4 6108 B9R1.179 COCC1(CC1)C(=O)O MCULE-8440485105 [0,1,0,1,0,0|2,0,0]=4 6109 B9R1.179 NCCC1(CC1)C(=O)O MCULE-1732909908 [0,1,0,1,0,0|2,0,0]=4 6110 B9R1.179 NCCC1(CC1)C(=O)O MCULE-7079307522 [0,1,0,1,0,0|2,0,0]=4 6111 B9R1.179 O=C(O)C1(CC1)CCCl MCULE-8895296339 [0,1,0,1,0,0|2,0,0]=4 6112 B9R1.179 O=C(O)C1(CC1)CCF MCULE-7598361699 [0,1,0,1,0,0|2,0,0]=4 6113 B9R1.179 O=C(O)C1(CC1)CCO MCULE-4706234979 [0,1,0,1,0,0|2,0,0]=4 6114 B9R1.19 CC(C)(O)C1CCCN1 MCULE-3058549783 [0,1,0,1,0,0|1,0,1]=4 6115 B9R1.19 CC(C)(O)C1CCCN1 MCULE-7282873348 [0,1,0,1,0,0|1,0,1]=4 6116 B9R1.19 CC(C)(O)[C@@H]1CCCN1 MCULE-2324069180 [0,1,0,1,0,0|1,0,1]=4 6117 B9R1.19 CC(C)(O)[C@@H]1CCCN1 MCULE-3595619735 [0,1,0,1,0,0|1,0,1]=4 6118 B9R1.19 CC(C)(O)[C@@H]1CCCN1 MCULE-3842553890 [0,1,0,1,0,0|1,0,1]=4 6119 B9R1.19 CC(C)(O)[C@H]1CCCN1 MCULE-1082062321 [0,1,0,1,0,0|1,0,1]=4 6120 B9R1.19 CC(C)(O)[C@H]1CCCN1 MCULE-5364741590 [0,1,0,1,0,0|1,0,1]=4 6121 B9R1.19 CC(C)(O)[C@H]1CCCN1 MCULE-8737105400 [0,1,0,1,0,0|1,0,1]=4 6122 B9R1.19 CC(C)(O)[C@H]1CCCN1 MCULE-9021200021 [0,1,0,1,0,0|1,0,1]=4 6123 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-1507527616 [0,1,0,1,0,0|1,0,0]=3 6124 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-9994872613 [0,1,0,1,0,0|1,0,0]=3 6125 B9R1.19 O=S(=O)(O)C1CCCC1 MCULE-7644931575 [0,1,0,1,0,0|2,0,0]=4 6126 B9R1.102 CC(C)(O)C(N)C1CC1 MCULE-5628158719 [0,1,0,1,0,0|1,0,1]=4 6127 B9R1.102 CC(C)(O)C(N)C1CC1 MCULE-8288866223 [0,1,0,1,0,0|1,0,1]=4 6128 B9R1.102 CC(C)(O)[C@@H](N)C1CC1 MCULE-2219309657 [0,1,0,1,0,0|1,0,1]=4 6129 B9R1.102 CC(C)(O)[C@@H](N)C1CC1 MCULE-2381520795 [0,1,0,1,0,0|1,0,1]=4 6130 B9R1.102 CC(C)(O)[C@@H](N)C1CC1 MCULE-4087778974 [0,1,0,1,0,0|1,0,1]=4 6131 B9R1.102 CC(C)(O)[C@@H](N)C1CC1 MCULE-7387072656 [0,1,0,1,0,0|1,0,1]=4 6132 B9R1.24 NCC1CCCS1(=O)=O MCULE-1202245085 [0,1,0,1,0,0|1,0,1]=4 6133 B9R1.24 NCC1CCCS1(=O)=O MCULE-5230323093 [0,1,0,1,0,0|1,0,1]=4 6134 B9R1.116 CNC(C(=O)N)C1CC1 MCULE-8533863121 [0,1,0,1,0,0|1,0,0]=3 6135 B9R1.116 CNC(C(=O)O)C1CC1 MCULE-7436139771 [0,1,0,1,0,0|0,0,0]=2 6136 B9R1.116 COC(C(=O)O)C1CC1 MCULE-8084470877 [0,1,0,1,0,0|1,0,0]=3 6137 B9R1.116 NOC(C(=O)O)C1CC1 MCULE-4234133801 [0,1,0,1,0,0|0,0,0]=2 6138 B9R1.116 NOC(C(=O)O)C1CC1 MCULE-8165844235 [0,1,0,1,0,0|0,0,0]=2 6139 B9R1.116 O=C(O)/C(=N/O)/C1CC1 MCULE-8541959649 [0,1,0,1,0,0|0,0,2]=4 6140 B9R1.119 C#CC1(CCC1)C(=O)O MCULE-2021077070 [0,1,0,1,0,0|1,0,0]=3 6141 B9R1.119 CC(=O)C1(CCC1)C#N MCULE-9307675365 [0,1,0,1,0,0|1,0,1]=4 6142 B9R1.119 CCC1(CCC1)C(=O)O MCULE-8472500117 [0,1,0,1,0,0|1,0,0]=3 6143 B9R1.119 CCC1(CCO1)C(=O)O MCULE-9145728118 [0,1,0,1,0,0|2,0,0]=4 6144 B9R1.119 CCC1(CNC1)C(=O)O MCULE-8053068489 [0,1,0,1,0,0|2,0,0]=4 6145 B9R1.119 CCC1(COC1)C(=O)O MCULE-3962066812 [0,1,0,1,0,0|2,0,0]=4 6146 B9R1.119 CC[C@]1(CCO1)C(=O)O MCULE-5752888055 [0,1,0,1,0,0|2,0,0]=4 6147 B9R1.119 CNC1(CCC1)C(=O)N MCULE-9618501617 [0,1,0,1,0,0|1,0,0]=3 6148 B9R1.119 CNC1(CCC1)C(=O)O MCULE-3757495053 [0,1,0,1,0,0|0,0,0]=2 6149 B9R1.119 CNC1(CCC1)C(=O)O MCULE-4024637716 [0,1,0,1,0,0|0,0,0]=2 6150 B9R1.119 CNC1(CNC1)C(=O)N MCULE-8113222638 [0,1,0,1,0,0|2,0,0]=4 6151 B9R1.119 CNC1(CNC1)C(=O)N MCULE-9287185171 [0,1,0,1,0,0|2,0,0]=4 6152 B9R1.119 CNC1(CNC1)C(=O)O MCULE-2429867360 [0,1,0,1,0,0|1,0,0]=3 6153 B9R1.119 CNC1(CNC1)C(=O)O MCULE-6668272665 [0,1,0,1,0,0|1,0,0]=3 6154 B9R1.119 CNC1(COC1)C(=O)O MCULE-5428851378 [0,1,0,1,0,0|1,0,0]=3 6155 B9R1.119 COC1(CCC1)C(=O)C MCULE-7851460728 [0,1,0,1,0,0|2,0,0]=4 6156 B9R1.119 COC1(CCC1)C(=O)Cl MCULE-2970127433 [0,1,0,1,0,0|2,0,0]=4 6157 B9R1.119 COC1(CCC1)C(=O)O MCULE-5969292821 [0,1,0,1,0,0|1,0,0]=3 6158 B9R1.119 COC1(CNC1)C(=O)O MCULE-2037277700 [0,1,0,1,0,0|2,0,0]=4 6159 B9R1.119 COC1(CNC1)C(=O)O MCULE-8524872732 [0,1,0,1,0,0|2,0,0]=4 6160 B9R1.119 CS(=O)C1(CCC1)CN MCULE-1873403604 [0,1,0,1,0,0|2,0,0]=4 6161 B9R1.119 CSC1(CCC1)C(=O)O MCULE-8804902018 [0,1,0,1,0,0|1,0,0]=3 6162 B9R1.119 N#CC1(CCC1)C(=O)O MCULE-3878444605 [0,1,0,1,0,0|0,0,1]=3 6163 B9R1.119 N#CC1(COC1)C(=O)O MCULE-2152442122 [0,1,0,1,0,0|1,0,1]=4 6164 B9R1.119 NC(=O)C1(CCC1)CO MCULE-9946184317 [0,1,0,1,0,0|2,0,0]=4 6165 B9R1.119 NCC1(CCC1)C(=O)N MCULE-9304292524 [0,1,0,1,0,0|1,0,0]=3 6166 B9R1.119 NCC1(CCC1)C(=O)O MCULE-3914754838 [0,1,0,1,0,0|0,0,0]=2 6167 B9R1.119 NCC1(CCC1)C(=O)O MCULE-4280814319 [0,1,0,1,0,0|0,0,0]=2 6168 B9R1.119 O=C(O)C1(CCC1)CBr MCULE-5543146509 [0,1,0,1,0,0|1,0,0]=3 6169 B9R1.119 O=C(O)C1(CCC1)CF MCULE-5485073729 [0,1,0,1,0,0|1,0,0]=3 6170 B9R1.119 O=C(O)C1(CCC1)CO MCULE-3232370055 [0,1,0,1,0,0|1,0,0]=3 6171 B9R1.119 O=C(O)C1(CNC1)CF MCULE-5137140836 [0,1,0,1,0,0|2,0,0]=4 6172 B9R1.119 O=C(O)C1(CNC1)CF MCULE-7308600698 [0,1,0,1,0,0|2,0,0]=4 6173 B9R1.119 O=C(O)C1(COC1)CBr MCULE-4458668966 [0,1,0,1,0,0|2,0,0]=4 6174 B9R1.119 O=C(O)C1(COC1)CF MCULE-2717237905 [0,1,0,1,0,0|2,0,0]=4 6175 B9R1.119 O=C(O)C1(COC1)CO MCULE-8517233263 [0,1,0,1,0,0|2,0,0]=4 6176 B9R1.130 CC1CC1(C#N)C(=O)O MCULE-4083324671 [0,1,0,1,0,0|0,0,1]=3 6177 B9R1.130 CC[C@]1(C[C@@H]1F)C(=O)O MCULE-7765739144 [0,1,0,1,0,0|2,0,0]=4 6178 B9R1.130 CC[C@]1(C[C@H]1F)C(=O)O MCULE-6558255104 [0,1,0,1,0,0|2,0,0]=4 6179 B9R1.130 CC[C@]1(C[C@H]1F)C(=O)O MCULE-9949603359 [0,1,0,1,0,0|2,0,0]=4 6180 B9R1.36 CC1(CC(C(=O)N1)O)C MCULE-6193972218 [0,1,0,1,0,0|2,0,0]=4 6181 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-7823096614 [0,1,0,1,0,0|0,0,0]=2 6182 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-8973330971 [0,1,0,1,0,0|0,0,0]=2 6183 B9R1.36 CC1CC(CC1=O)(C)C MCULE-2251251242 [0,1,0,1,0,0|2,0,0]=4 6184 B9R1.36 CC1CC(NC1=O)(C)C MCULE-3640588755 [0,1,0,1,0,0|2,0,0]=4 6185 B9R1.36 CC1OC(OC1=O)(C)C MCULE-1281784579 [0,1,0,1,0,0|2,0,0]=4 6186 B9R1.36 CC1SC(OC1=O)(C)C MCULE-1070141041 [0,1,0,1,0,0|2,0,0]=4 6187 B9R1.67 CC(O)CC1CCC1=O MCULE-5157418140 [0,1,0,1,0,0|2,0,0]=4 6188 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,1,0,1,0,0|1,0,0]=3 6189 B9R1.161 O=C(O)C1CC1C(F)F MCULE-6859776096 [0,1,0,1,0,0|2,0,0]=4 6190 B9R1.161 O=C(O)[C@@H]1C[C@@H]1C(F)F MCULE-4810792751 [0,1,0,1,0,0|2,0,0]=4 6191 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-1011454400 [0,1,0,1,0,0|2,0,0]=4 6192 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-8959639977 [0,1,0,1,0,0|2,0,0]=4 6193 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-4761495090 [0,1,0,1,0,0|2,0,0]=4 6194 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-9106908377 [0,1,0,1,0,0|2,0,0]=4 6195 B9R1.161 O=C(O)[C@H]1C[C@H]1C(F)F MCULE-9137583199 [0,1,0,1,0,0|2,0,0]=4 6196 B9R1.164 CC1(C=C(C1)C(=O)O)C MCULE-6051429831 [0,1,0,1,0,0|1,0,1]=4 6197 B9R1.164 CC1(CC(C1)C(=O)Cl)C MCULE-8399715648 [0,1,0,1,0,0|2,0,0]=4 6198 B9R1.164 CC1(CC(C1)C(=O)N)C MCULE-1074701777 [0,1,0,1,0,0|2,0,0]=4 6199 B9R1.164 CC1(CC(C1)C(=O)O)C MCULE-2113829273 [0,1,0,1,0,0|1,0,0]=3 6200 B9R1.164 CC1(CC(C1)C(=O)O)F MCULE-6709976888 [0,1,0,1,0,0|1,0,0]=3 6201 B9R1.164 CC1(CC(C1)C(=O)O)O MCULE-2222519984 [0,1,0,1,0,0|1,0,0]=3 6202 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)O)F MCULE-5383135274 [0,1,0,1,0,0|1,0,0]=3 6203 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)O)O MCULE-4467958139 [0,1,0,1,0,0|1,0,0]=3 6204 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)[O-])O MCULE-4335271280 [0,1,0,1,0,0|1,0,1]=4 6205 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)O)F MCULE-3132782538 [0,1,0,1,0,0|1,0,0]=3 6206 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)O)O MCULE-3757447768 [0,1,0,1,0,0|1,0,0]=3 6207 B9R1.164 O=C(O)C1CC(C1)(F)F MCULE-2201483659 [0,1,0,1,0,0|2,0,0]=4 6208 B9R1.169 CC1(CC1(Br)Br)C(=O)O MCULE-3847405281 [0,1,0,1,0,0|2,0,0]=4 6209 B9R1.169 CC1(CC1(Cl)Cl)C(=O)O MCULE-4921441641 [0,1,0,1,0,0|2,0,0]=4 6210 B9R1.169 CC1(CC1(F)Cl)C(=O)O MCULE-2748610174 [0,1,0,1,0,0|2,0,0]=4 6211 B9R1.169 CC1(CC1(F)F)C(=O)O MCULE-3474318455 [0,1,0,1,0,0|2,0,0]=4 6212 B9R2.19 O=C1CCC2CC1C2 MCULE-7777720832 [0,0,0,2,0,0|2,0,0]=4 6213 B9R2.19 O=C1NCC2CC1C2 MCULE-1404448235 [0,0,0,2,0,0|2,0,0]=4 6214 B9R2.19 O=C1NCC2CC1N2 MCULE-4322893965 [0,0,0,2,0,0|1,0,0]=3 6215 B9R2.39 C12CNC(C1)C(=O)O2 MCULE-4651135224 [0,0,0,2,0,0|0,0,0]=2 6216 B9R2.39 NC1CC2CCC1O2 MCULE-7005194127 [0,0,0,2,0,0|1,0,1]=4 6217 B9R2.39 NC1CC2CCC1O2 MCULE-9938013447 [0,0,0,2,0,0|1,0,1]=4 6218 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-1567634529 [0,0,0,2,0,0|1,0,1]=4 6219 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-3673875552 [0,0,0,2,0,0|1,0,1]=4 6220 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [0,0,0,2,0,0|2,0,0]=4 6221 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,2,0,0|1,0,0]=3 6222 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,2,0,0|1,0,0]=3 6223 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [0,0,0,2,0,0|2,0,0]=4 6224 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,2,0,0|1,0,0]=3 6225 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,2,0,0|1,0,0]=3 6226 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [0,0,0,2,0,0|2,0,0]=4 6227 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [0,0,0,2,0,0|2,0,0]=4 6228 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [0,0,0,2,0,0|2,0,0]=4 6229 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [0,0,0,2,0,0|2,0,0]=4 6230 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-6049411288 [0,0,0,2,0,0|1,0,0]=3 6231 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-7775612507 [0,0,0,2,0,0|1,0,0]=3 6232 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [0,0,0,2,0,0|2,0,0]=4 6233 B9R2.39 O=C1OC2CNC1C2 MCULE-1081203973 [0,0,0,2,0,0|0,0,0]=2 6234 B9R2.39 O=C1OC2CNC1C2 MCULE-4715019258 [0,0,0,2,0,0|0,0,0]=2 6235 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-1020161730 [0,0,0,2,0,0|0,0,0]=2 6236 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-3837738406 [0,0,0,2,0,0|0,0,0]=2 6237 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-6980885310 [0,0,0,2,0,0|0,0,0]=2 6238 B9R2.39 OC1CC2CCC1N2 MCULE-1605436075 [0,0,0,2,0,0|1,0,1]=4 6239 B9R2.39 OC1CC2CCC1N2 MCULE-1761281414 [0,0,0,2,0,0|1,0,1]=4 6240 B9R2.39 OC1CC2CNC1C2 MCULE-2749316886 [0,0,0,2,0,0|1,0,1]=4 6241 B9R2.39 OC1CC2CNC1C2 MCULE-4966948452 [0,0,0,2,0,0|1,0,1]=4 6242 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 MCULE-3144398733 [0,0,0,2,0,0|1,0,1]=4 6243 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 MCULE-7894832313 [0,0,0,2,0,0|1,0,1]=4 6244 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 MCULE-1633391346 [0,0,0,2,0,0|1,0,1]=4 6245 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 MCULE-9461548760 [0,0,0,2,0,0|1,0,1]=4 6246 B9R2.39 O[C@H]1C[C@@H]2CN[C@H]1C2 MCULE-1159886921 [0,0,0,2,0,0|1,0,1]=4 6247 B9R2.39 O[C@H]1C[C@@H]2CN[C@H]1C2 MCULE-6982071164 [0,0,0,2,0,0|1,0,1]=4 6248 B9R2.39 O[C@H]1C[C@H]2CN[C@@H]1C2 MCULE-4495352435 [0,0,0,2,0,0|1,0,1]=4 6249 B9R2.39 O[C@H]1C[C@H]2CN[C@@H]1C2 MCULE-6073992216 [0,0,0,2,0,0|1,0,1]=4 6250 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-3428651950 [0,0,0,2,0,0|1,0,1]=4 6251 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-5974580174 [0,0,0,2,0,0|1,0,1]=4 6252 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-6305413134 [0,0,0,2,0,0|1,0,1]=4 6253 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-7062654568 [0,0,0,2,0,0|1,0,1]=4 6254 B9R2.39 [C@@H]12CC[C@@H](N1)[C@H](C2)O MCULE-4291985781 [0,0,0,2,0,0|1,0,1]=4 6255 B9R2.39 [C@@H]12CC[C@@H](N1)[C@H](C2)O MCULE-8663774893 [0,0,0,2,0,0|1,0,1]=4 6256 B9R2.39 [C@@H]12CC[C@@H](O1)[C@@H](C2)N MCULE-3840560284 [0,0,0,2,0,0|1,0,1]=4 6257 B9R2.39 [C@@H]12CC[C@@H](O1)[C@@H](C2)N MCULE-6488455225 [0,0,0,2,0,0|1,0,1]=4 6258 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-4857421267 [0,0,0,2,0,0|0,0,0]=2 6259 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-5314520254 [0,0,0,2,0,0|0,0,0]=2 6260 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-8592680797 [0,0,0,2,0,0|0,0,0]=2 6261 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [0,0,0,2,0,0|2,0,0]=4 6262 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [0,0,0,2,0,0|2,0,0]=4 6263 B9R2.109 O=C1CCCC2C1C2 MCULE-3371095042 [0,0,0,2,0,0|2,0,0]=4 6264 B9R2.109 O=C1CCCC2C1O2 MCULE-6955178123 [0,0,0,2,0,0|2,0,0]=4 6265 B9R2.109 O=C1NCCC2C1C2 MCULE-8817732346 [0,0,0,2,0,0|2,0,0]=4 6266 B9R2.109 [C@@H]12CCCC(=O)[C@@H]1C2 MCULE-9081823070 [0,0,0,2,0,0|2,0,0]=4 6267 B9R2.7 O=C1CC2C1NCC2 MCULE-5565431334 [0,0,0,2,0,0|1,0,0]=3 6268 B9R2.7 O=C1CC2C1NCC2 MCULE-8877801710 [0,0,0,2,0,0|1,0,0]=3 6269 B9R2.7 O=C1CC2C1OCC2 MCULE-9845403948 [0,0,0,2,0,0|2,0,0]=4 6270 B9R2.7 O=C1C[C@H]2[C@@H]1OCC2 MCULE-7616272357 [0,0,0,2,0,0|2,0,0]=4 6271 B9R2.7 O=C1NC2C1CCC2 MCULE-4665683392 [0,0,0,2,0,0|2,0,0]=4 6272 B9R2.7 O=C1N[C@@H]2[C@H]1CCC2 MCULE-6354748107 [0,0,0,2,0,0|2,0,0]=4 6273 B9R2.7 OC1CC2C1NCC2 MCULE-1724056091 [0,0,0,2,0,0|1,0,1]=4 6274 B9R2.7 OC1CC2C1NCC2 MCULE-4088023944 [0,0,0,2,0,0|1,0,1]=4 6275 B9R2.7 [C@@H]12CCO[C@@H]1C(=O)C2 MCULE-8869936364 [0,0,0,2,0,0|2,0,0]=4 6276 B9R2.7 [C@H]12CCC[C@H]1NC2=O MCULE-8553168635 [0,0,0,2,0,0|2,0,0]=4 6277 B9R2.148 O=C(O)C1C2C1CC2 MCULE-2273094599 [0,0,0,2,0,0|1,0,0]=3 6278 B9R2.148 O=C(O)C1C2C1NC2 MCULE-5026622210 [0,0,0,2,0,0|2,0,0]=4 6279 B9R2.36 O=C1CCC1C2CC2 MCULE-3575149724 [0,0,0,2,0,0|2,0,0]=4 6280 B9R2.140 O=C1CCC12CCC2 MCULE-3558542285 [0,0,0,2,0,0|2,0,0]=4 6281 B9R2.140 O=C1COC12CCC2 MCULE-7119377731 [0,0,0,2,0,0|2,0,0]=4 6282 B9R2.140 O=C1NCC12CCC2 MCULE-9964635912 [0,0,0,2,0,0|2,0,0]=4 6283 B9R2.145 CC(=O)C12CC(C1)C2 MCULE-4306075078 [0,0,0,2,0,0|2,0,0]=4 6284 B9R2.145 NC(=O)C12CC(C1)C2 MCULE-6296637670 [0,0,0,2,0,0|2,0,0]=4 6285 B9R2.145 O=C(O)C12CC(C1)C2 MCULE-3144378973 [0,0,0,2,0,0|1,0,0]=3 6286 B9R2.143 CC(=O)C1CC12CC2 MCULE-1830516621 [0,0,0,2,0,0|2,0,0]=4 6287 B9R2.143 NC(=O)[C@H]1CC12CC2 MCULE-1517066557 [0,0,0,2,0,0|2,0,0]=4 6288 B9R2.143 O=C(O)C1CC12CC2 MCULE-3123393545 [0,0,0,2,0,0|1,0,0]=3 6289 B9R2.143 O=C(O)[C@H]1CC12CC2 MCULE-5995095647 [0,0,0,2,0,0|1,0,0]=3 6290 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,0,0,0,0,2|1,0,1]=4 6291 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [0,0,0,0,0,2|1,0,1]=4 6292 B9R0.48 CCCC(C)CCC(=O)C MCULE-1446034135 [0,0,0,0,0,2|2,0,0]=4 6293 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,0,0,0,0,2|1,0,0]=3 6294 B9R0.48 CCCC(C)COC(=O)C MCULE-3322580373 [0,0,0,0,0,2|2,0,0]=4 6295 B9R0.48 CCCC(C)COC(=O)Cl MCULE-1504594923 [0,0,0,0,0,2|2,0,0]=4 6296 B9R0.48 CCCC(Cl)CCC(=O)Cl MCULE-1887322362 [0,0,0,0,0,2|2,0,0]=4 6297 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,0,0,0,0,2|0,0,0]=2 6298 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,0,0,0,0,2|0,0,0]=2 6299 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [0,0,0,0,0,2|2,0,0]=4 6300 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [0,0,0,0,0,2|2,0,0]=4 6301 B9R0.48 COCC(C)NCC(=O)O MCULE-1388451631 [0,0,0,0,0,2|2,0,0]=4 6302 B9R0.48 COCC(C)NCC(=O)O MCULE-8506123448 [0,0,0,0,0,2|2,0,0]=4