0 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,0,0,0,0,0|1,0,0]=1 35 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,0,0,0,0,0|2,0,1]=3 55 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,0,0,0,0,0|2,0,2]=4 63 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,0,0,0,0,0|2,0,2]=4 64 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,0,0,0,0,0|1,0,3]=4 65 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,0,0,0,0,0|1,0,2]=3 66 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,0,0,0,0,0|1,0,2]=3 67 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,0,0,0,0,0|1,0,3]=4 68 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,0,0,0,0,0|1,0,3]=4 69 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,0,0,0,0,0|0,0,0]=0 70 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.1 C=CCC(O)C=C MCULE-3803883413 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.1 CN(C=O)CCO MCULE-3588371476 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.1 CN(CCO)N=O MCULE-3975606321 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,0,0,0,0,0|1,0,1]=3 97 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,0,0,0,0,0|1,0,2]=4 99 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,0,0,0,0,0|1,0,2]=4 100 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [1,0,0,0,0,0|1,0,1]=3 104 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [1,0,0,0,0,0|1,0,1]=3 105 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [1,0,0,0,0,0|1,0,2]=4 106 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,0,0,0,0,0|1,0,1]=3 111 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,0,0,0,0,0|1,0,1]=3 112 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,0,0,0,0,0|1,0,2]=4 114 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,0,0,0,0,0|1,0,1]=3 121 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,0,0,0,0,0|1,0,1]=3 122 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,0,0,0,0,0|1,0,2]=4 123 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,0,0,0,0,0|1,0,2]=4 124 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [1,0,0,0,0,0|1,0,2]=4 127 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [1,0,0,0,0,0|1,0,2]=4 128 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [1,0,0,0,0,0|1,0,1]=3 132 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [1,0,0,0,0,0|1,0,0]=2 133 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [1,0,0,0,0,0|0,0,2]=3 135 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [1,0,0,0,0,0|1,0,2]=4 136 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [1,0,0,0,0,0|1,0,2]=4 137 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [1,0,0,0,0,0|0,0,3]=4 138 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|2,0,0]=3 149 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|1,0,0]=2 150 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.4 CC(C)CNC=O MCULE-2156996206 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|2,0,0]=3 155 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|1,0,1]=3 161 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|1,0,1]=3 162 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.4 NC(=S)NNC=O MCULE-5309261345 [1,0,0,0,0,0|2,1,0]=4 173 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|1,1,1]=4 182 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|0,0,2]=3 183 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|0,0,3]=4 184 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|1,0,0]=2 185 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|0,0,0]=1 187 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,1,0,0,0,0|3,0,0]=4 188 B8R0.2 CC(O)C(O)C(O)C=O MCULE-2576273900 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,1,0,0,0,0|2,0,1]=4 193 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,1,0,0,0,0|2,0,1]=4 199 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,1,0,0,0,0|2,0,1]=4 201 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-1942337033 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-4131864005 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-8061692459 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O MCULE-5963868974 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,1,0,0,0,0|1,0,2]=4 207 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,1,0,0,0,0|1,0,2]=4 208 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,1,0,0,0,0|1,0,2]=4 209 B8R0.2 O=C/C(=C(/Br)\C(=O)O)/Br MCULE-4235787323 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.2 O=C/C(=C(/Cl)\C(=O)O)/Cl MCULE-5383258560 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl MCULE-2800807401 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.2 O=CC(=C(Br)C(=O)O)Br MCULE-6159934056 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.2 O=CC(=C(Cl)C(=O)O)Cl MCULE-1478625845 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,1,0,0,0,0|2,0,0]=3 215 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,1,0,0,0,0|3,0,0]=4 217 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,1,0,0,0,0|3,0,0]=4 218 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,1,0,0,0,0|3,0,0]=4 219 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,1,0,0,0,0|3,0,0]=4 224 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,1,0,0,0,0|2,0,0]=3 228 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,1,0,0,0,0|1,0,2]=4 232 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,1,0,0,0,0|2,0,1]=4 233 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.16 COC(CC(=O)O)OC MCULE-5378328171 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.19 COC(=O)C=C(C)C=O MCULE-8776671343 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,1,0,0,0,0|1,0,2]=4 255 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,1,0,0,0,0|1,0,2]=4 256 B8R0.19 COC(=O)CN(C)C=O MCULE-9266775990 [0,1,0,0,0,0|1,0,0]=2 257 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,1,0,0,0,0|1,0,2]=4 262 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,1,0,0,0,0|1,0,2]=4 263 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,1,0,0,0,0|1,0,2]=4 264 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,0|3,0,0]=4 268 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,0|2,0,0]=3 269 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,1,0,0,0,0|3,0,0]=4 270 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,0,0|2,0,0]=3 271 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,0|2,0,0]=3 273 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|2,0,0]=3 274 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,0|3,0,0]=4 275 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,0|1,0,0]=2 280 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,0|2,0,1]=4 281 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,1,0,0,0,0|2,0,1]=4 282 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,1,0,0,0,0|2,0,1]=4 283 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,0|2,0,1]=4 284 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,1,0,0,0,0|3,0,0]=4 285 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,0|3,0,0]=4 286 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|2,0,0]=3 287 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|2,0,0]=3 288 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,0|2,0,0]=3 289 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,0|2,0,0]=3 290 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,0|2,0,0]=3 291 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,0|1,0,0]=2 292 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,0,0|1,1,0]=3 293 B8R0.23 CN(CC(=O)[O-])C(=S)[S-] MCULE-6157085602 [0,1,0,0,0,0|1,1,1]=4 294 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|2,0,0]=3 295 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|2,0,0]=3 297 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|2,0,0]=3 298 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|2,0,0]=3 299 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,0|3,0,0]=4 300 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,0|3,0,0]=4 301 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,0|3,0,0]=4 302 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,0|3,0,0]=4 303 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,0|3,0,0]=4 304 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,0|3,0,0]=4 305 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,0|3,0,0]=4 306 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,0|3,0,0]=4 307 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,0|3,0,0]=4 308 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,0|3,0,0]=4 309 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,0|3,0,0]=4 310 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,0|1,0,0]=2 311 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|2,0,0]=3 312 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|2,0,0]=3 313 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|2,0,0]=3 314 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|2,0,0]=3 315 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|2,0,0]=3 316 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|2,0,0]=3 317 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|2,0,0]=3 318 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|2,0,0]=3 319 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|2,0,0]=3 320 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|2,0,0]=3 321 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,0,0|2,0,1]=4 324 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|2,0,0]=3 325 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|2,0,0]=3 327 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,0,0|2,0,1]=4 331 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,0,0|2,0,1]=4 332 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,0,0|2,0,1]=4 333 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,0|3,0,0]=4 335 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|2,0,0]=3 336 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,0,0|2,0,1]=4 337 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,0,0|2,0,1]=4 338 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,1,0,0,0,0|3,0,0]=4 340 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,0,0|1,0,1]=3 341 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|2,0,0]=3 342 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|2,0,0]=3 343 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|2,0,0]=3 344 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|1,0,0]=2 345 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|1,0,0]=2 346 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|1,0,0]=2 347 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|1,1,0]=3 348 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|2,0,0]=3 349 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|2,0,0]=3 350 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|1,0,0]=2 351 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|1,0,0]=2 352 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|2,0,0]=3 353 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|2,0,0]=3 354 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|1,0,0]=2 356 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|1,0,0]=2 357 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,0|1,0,0]=2 358 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|1,1,0]=3 359 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,0|1,0,0]=2 360 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|2,0,0]=3 361 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.24 CN(C=O)CP(=O)(O)O MCULE-5250485746 [0,1,0,0,0,0|2,0,0]=3 363 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [0,1,0,0,0,0|3,0,0]=4 364 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,1,0,0,0,0|3,0,0]=4 365 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,1,0,0,0,0|3,0,0]=4 366 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [0,1,0,0,0,0|2,0,0]=3 367 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,1,0,0,0,0|2,0,1]=4 369 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.34 O=C(O)CP(=O)(O)OO MCULE-4846368706 [0,1,0,0,0,0|1,1,1]=4 371 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,0,0,1,0,0|3,0,0]=4 372 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,0,0,1,0,0|3,0,0]=4 373 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,0,0,1,0,0|3,0,0]=4 374 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,0,0,1,0,0|3,0,0]=4 375 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,0,0,1,0,0|2,0,0]=3 376 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,0,0,1,0,0|3,0,0]=4 377 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,1,0,0|2,0,1]=4 378 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,1,0,0|2,0,1]=4 379 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,0,0,1,0,0|2,0,1]=4 380 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,0,0,1,0,0|2,0,0]=3 381 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,0,0,1,0,0|2,0,1]=4 382 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,0,0,1,0,0|3,0,0]=4 383 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,0,0,1,0,0|2,0,0]=3 384 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,0,0,1,0,0|3,0,0]=4 385 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,0,0,1,0,0|3,0,0]=4 386 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,0,0,1,0,0|2,0,0]=3 387 B8R1.18 CN1CC(=O)N=C1N MCULE-2231869894 [0,0,0,1,0,0|3,0,0]=4 388 B8R1.18 CN1CC(=O)NC1=N MCULE-7608108871 [0,0,0,1,0,0|3,0,0]=4 389 B8R1.18 CN1CC(=O)NC1=N MCULE-8832153777 [0,0,0,1,0,0|3,0,0]=4 390 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,0,0,1,0,0|2,0,0]=3 391 B8R1.18 CN1CC(=O)NC1=S MCULE-6474760923 [0,0,0,1,0,0|2,1,0]=4 392 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,0,0,1,0,0|1,0,0]=2 393 B8R1.18 CN1CC(CC1=O)O MCULE-3900359646 [0,0,0,1,0,0|2,0,1]=4 394 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-6983684031 [0,0,0,1,0,0|2,0,1]=4 395 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-9036883490 [0,0,0,1,0,0|2,0,1]=4 396 B8R1.18 CN1C[C@H](CC1=O)O MCULE-1129246553 [0,0,0,1,0,0|2,0,1]=4 397 B8R1.18 CN1C[C@H](CC1=O)O MCULE-3762455862 [0,0,0,1,0,0|2,0,1]=4 398 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,0,0,1,0,0|3,0,0]=4 399 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,0,0,1,0,0|3,0,0]=4 400 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,0,0,1,0,0|3,0,0]=4 401 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,0,0,1,0,0|2,0,0]=3 402 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,0,0,1,0,0|3,0,0]=4 403 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,0,0,1,0,0|3,0,0]=4 404 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,0,0,1,0,0|3,0,0]=4 405 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,0,0,1,0,0|3,0,0]=4 406 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,0,0,1,0,0|2,0,0]=3 407 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,0,0,1,0,0|2,0,0]=3 408 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,0,0,1,0,0|2,0,0]=3 409 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,0,0,1,0,0|2,0,0]=3 410 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,0,0,1,0,0|3,0,0]=4 411 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,0,0,1,0,0|3,0,0]=4 412 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,0,0,1,0,0|2,0,0]=3 413 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,0,0,1,0,0|2,0,0]=3 414 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,0,0,1,0,0|2,0,0]=3 415 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,0,0,1,0,0|2,0,0]=3 416 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,0,0,1,0,0|3,0,0]=4 417 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,0,0,1,0,0|3,0,0]=4 418 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,0,0,1,0,0|2,0,0]=3 419 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,0,0,1,0,0|2,0,0]=3 420 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,0,0,1,0,0|2,0,1]=4 421 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [0,0,0,1,0,0|2,0,0]=3 422 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,0,0,1,0,0|2,0,1]=4 423 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,0,0,1,0,0|2,0,1]=4 424 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,0,0,1,0,0|2,0,1]=4 425 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,0,0,1,0,0|2,0,1]=4 426 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,0,0,1,0,0|2,0,1]=4 427 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,0,0,1,0,0|2,0,1]=4 428 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,0,0,1,0,0|2,0,1]=4 429 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,0,0,1,0,0|2,0,1]=4 430 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,0,0,1,0,0|2,0,1]=4 431 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,0,0,1,0,0|2,0,1]=4 432 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,0,0,1,0,0|2,0,1]=4 433 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,0,0,1,0,0|2,0,1]=4 434 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,0,0,1,0,0|2,0,1]=4 435 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,0,0,1,0,0|3,0,0]=4 436 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,0,0,1,0,0|3,0,0]=4 437 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,0,0,0,1,0|2,0,1]=4 438 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,0,0,0,1,0|3,0,0]=4 439 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,0,0,0,1,0|3,0,0]=4 440 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,0,0,0,1,0|3,0,0]=4 441 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,0,0,0,1,0|2,0,0]=3 442 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,0,0,0,1,0|2,0,1]=4 443 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,0,0,1,0|3,0,0]=4 444 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,0,0,0,1,0|3,0,0]=4 445 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,0,0,0,1,0|3,0,0]=4 446 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,0,0,0,1,0|3,0,0]=4 447 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,0,0,0,1,0|3,0,0]=4 448 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,0,0,0,1,0|2,0,0]=3 449 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,0,0,0,1,0|3,0,0]=4 450 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,0,0,1,0|3,0,0]=4 451 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,0,0,0,1,0|3,0,0]=4 452 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,0,0,0,1,0|3,0,0]=4 453 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,0,0,0,1,0|3,0,0]=4 454 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,0,0,1,0|3,0,0]=4 455 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,0,0,1,0|3,0,0]=4 456 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,0,0,1,0|3,0,0]=4 457 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,0,0,0,1,0|3,0,0]=4 458 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,0,0,0,1,0|3,0,0]=4 459 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,0,0,0,1,0|3,0,0]=4 460 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,0,0,0,1,0|3,0,0]=4 461 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,0,0,0,1,0|3,0,0]=4 462 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,0,0,0,1,0|3,0,0]=4 463 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,0,0,0,1,0|3,0,0]=4 464 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,0,0,0,1,0|3,0,0]=4 465 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,0,0,0,1,0|3,0,0]=4 466 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,0,0,0,1,0|3,0,0]=4 467 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,0,0,0,1,0|3,0,0]=4 468 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,0,0,0,1,0|2,0,0]=3 469 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,0,0,0,1,0|2,0,1]=4 470 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,0,0,0,1,0|2,0,1]=4 471 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,0,0,0,1,0|2,0,1]=4 472 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,0,0,0,1,0|2,0,1]=4 473 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,0,0,0,1,0|2,0,1]=4 474 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,0,0,0,1,0|2,0,1]=4 475 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,0,0,0,1,0|2,0,1]=4 476 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,0,0,0,1,0|3,0,0]=4 477 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,0,0,0,1,0|2,0,1]=4 478 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,0,0,0,1,0|2,0,1]=4 479 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,0,0,0,1,0|2,0,1]=4 480 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,0,0,0,1,0|2,0,1]=4 481 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,0,0,0,1,0|2,0,1]=4 482 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,0,0,0,1,0|2,0,1]=4 483 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,0,0,0,1,0|3,0,0]=4 484 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,0,0,0,1,0|3,0,0]=4 485 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,0,0,0,1,0|2,0,1]=4 486 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,0,0,0,1,0|2,0,1]=4 487 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,0,0,0,1,0|1,0,2]=4 488 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,0,0,0,1,0|2,0,1]=4 489 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,0,0,0,1,0|1,0,2]=4 490 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,0,0,0,1,0|1,0,2]=4 491 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,0,0,0,1,0|2,0,1]=4 492 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,0,0,0,1,0|3,0,0]=4 493 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,0,0,0,0,1|3,0,0]=4 494 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,0,0,0,0,1|2,0,1]=4 495 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,0,0,0,0,1|3,0,0]=4 496 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,0,0,0,0,1|3,0,0]=4 497 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,0,0,0,0,1|3,0,0]=4 498 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,0,0,0,0,1|3,0,0]=4 499 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,0,0,0,0,1|3,0,0]=4 500 B8R0.9 CC(=O)CCN(C)N=O MCULE-9992314796 [0,0,0,0,0,1|3,0,0]=4 501 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,0,0,0,0,1|2,0,1]=4 502 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,0,0,0,0,1|2,0,1]=4 503 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,0,0,0,0,1|2,0,1]=4 504 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|1,0,1]=4 505 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|1,0,1]=4 506 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [2,0,0,0,0,0|2,0,0]=4 507 B5R0.1 C=CCC(=O)N MCULE-1205335257 [2,0,0,0,0,0|2,0,0]=4 508 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|1,0,0]=3 509 B5R0.1 C=CNC(=O)C MCULE-1260296806 [2,0,0,0,0,0|2,0,0]=4 510 B5R0.1 C=CNC(=O)N MCULE-4235216182 [2,0,0,0,0,0|2,0,0]=4 511 B5R0.1 C=NCC(=O)N MCULE-7609497329 [2,0,0,0,0,0|1,0,1]=4 512 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|2,0,0]=4 513 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|1,0,1]=4 514 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|1,0,1]=4 515 B5R0.1 CN(C)CC=O MCULE-1229218563 [2,0,0,0,0,0|1,0,1]=4 516 B5R0.1 CN(C)CC=O MCULE-3577561950 [2,0,0,0,0,0|1,0,1]=4 517 B5R0.1 CN(C)CC=O MCULE-4493766862 [2,0,0,0,0,0|1,0,1]=4 518 B5R0.1 CN(C)CC=O MCULE-8123455398 [2,0,0,0,0,0|1,0,1]=4 519 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|1,0,1]=4 520 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|1,0,1]=4 521 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|1,0,1]=4 522 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|1,0,1]=4 523 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|1,0,1]=4 524 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|0,0,1]=3 525 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|0,0,1]=3 526 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|0,0,2]=4 527 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,1]=4 528 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,1]=4 529 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|1,0,1]=4 530 B5R0.1 N=C(N)NC=O MCULE-2702198735 [2,0,0,0,0,0|2,0,0]=4 531 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|2,0,0]=4 532 B5R0.1 NC(=O)NN=O MCULE-2820469915 [2,0,0,0,0,0|2,0,0]=4 533 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|1,0,1]=4 534 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|1,0,1]=4 535 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|1,0,1]=4 536 B5R0.1 NNCC(=O)N MCULE-2794619708 [2,0,0,0,0,0|2,0,0]=4 537 B5R0.1 NNCC(=O)N MCULE-6773156087 [2,0,0,0,0,0|2,0,0]=4 538 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|1,0,0]=3 539 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|1,0,0]=3 540 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|2,0,0]=4 541 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|2,0,0]=4 542 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|2,0,0]=4 543 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [2,0,0,0,0,0|1,0,1]=4 544 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [2,0,0,0,0,0|1,0,1]=4 545 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [2,0,0,0,0,0|1,0,1]=4 546 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [2,0,0,0,0,0|1,0,1]=4 547 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [2,0,0,0,0,0|1,0,1]=4 548 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [2,0,0,0,0,0|1,0,1]=4 549 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [2,0,0,0,0,0|0,0,2]=4 550 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [2,0,0,0,0,0|1,0,1]=4 551 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [2,0,0,0,0,0|1,0,1]=4 552 B5R0.1 O=C(O)C=CI MCULE-7162332129 [2,0,0,0,0,0|1,0,1]=4 553 B5R0.1 O=C(O)C=NO MCULE-2039309679 [2,0,0,0,0,0|0,0,2]=4 554 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,1]=4 555 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,1]=4 556 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,1]=4 557 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,1]=4 558 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|1,0,0]=3 559 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|0,1,1]=4 560 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|0,0,0]=2 561 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|1,0,1]=4 562 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|2,0,0]=4 563 B5R0.2 C=CCNC=O MCULE-1911798514 [2,0,0,0,0,0|1,0,0]=3 564 B5R0.2 C=CCOC=O MCULE-4161785970 [2,0,0,0,0,0|2,0,0]=4 565 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|1,0,1]=4 566 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|1,0,0]=3 567 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|1,0,0]=3 568 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|1,0,1]=4 569 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|0,0,1]=3 570 B5R0.2 O=CNNC=O MCULE-7634212643 [2,0,0,0,0,0|1,0,0]=3 571 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|1,0,1]=4 572 B5R0.3 C=CC(O)CO MCULE-6172654550 [2,0,0,0,0,0|2,0,0]=4 573 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [2,0,0,0,0,0|2,0,0]=4 574 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [2,0,0,0,0,0|2,0,0]=4 575 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [2,0,0,0,0,0|2,0,0]=4 576 B5R0.3 CCN(C)C=O MCULE-2308681384 [2,0,0,0,0,0|1,0,1]=4 577 B5R0.3 CN(C=O)C=O MCULE-7774435044 [2,0,0,0,0,0|1,0,0]=3 578 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [2,0,0,0,0,0|2,0,0]=4 579 B5R0.3 O=CC(=O)CO MCULE-7273475675 [2,0,0,0,0,0|1,0,1]=4 580 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [2,0,0,0,0,0|2,0,0]=4 581 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [2,0,0,0,0,0|2,0,0]=4 582 B5R0.3 O=CC(O)CO MCULE-9581740191 [2,0,0,0,0,0|1,0,0]=3 583 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [2,0,0,0,0,0|1,0,0]=3 584 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [2,0,0,0,0,0|1,0,0]=3 585 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [2,0,0,0,0,0|1,0,0]=3 586 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.5 C=CCN(C)C(=O)N MCULE-1459320786 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,1,0,0,0,0|2,0,0]=4 590 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [1,1,0,0,0,0|1,0,1]=4 591 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,1,0,0,0,0|1,0,1]=4 592 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [1,1,0,0,0,0|1,0,0]=3 593 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [1,1,0,0,0,0|1,0,1]=4 594 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [1,1,0,0,0,0|1,0,1]=4 595 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [1,1,0,0,0,0|1,0,1]=4 596 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [1,1,0,0,0,0|1,0,1]=4 597 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [1,1,0,0,0,0|1,0,1]=4 598 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [1,1,0,0,0,0|1,0,1]=4 599 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [1,1,0,0,0,0|1,0,1]=4 600 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [1,1,0,0,0,0|1,0,1]=4 601 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [1,1,0,0,0,0|1,0,1]=4 602 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [1,1,0,0,0,0|1,0,1]=4 603 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [1,1,0,0,0,0|0,1,0]=3 604 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [1,1,0,0,0,0|1,0,0]=3 605 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [1,1,0,0,0,0|1,0,1]=4 606 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [1,1,0,0,0,0|2,0,0]=4 607 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [1,1,0,0,0,0|2,0,0]=4 608 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [1,1,0,0,0,0|2,0,0]=4 609 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [1,1,0,0,0,0|2,0,0]=4 610 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [1,1,0,0,0,0|2,0,0]=4 611 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [1,1,0,0,0,0|2,0,0]=4 612 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [1,1,0,0,0,0|2,0,0]=4 613 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [1,1,0,0,0,0|2,0,0]=4 614 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [1,1,0,0,0,0|1,0,0]=3 615 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [1,1,0,0,0,0|1,0,1]=4 616 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [1,1,0,0,0,0|1,0,1]=4 617 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [1,1,0,0,0,0|1,0,1]=4 620 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [1,1,0,0,0,0|1,0,1]=4 621 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [1,1,0,0,0,0|1,0,1]=4 622 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [1,1,0,0,0,0|1,0,1]=4 623 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [1,1,0,0,0,0|1,0,1]=4 625 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [1,1,0,0,0,0|1,0,1]=4 626 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [1,1,0,0,0,0|1,0,1]=4 627 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [1,1,0,0,0,0|1,0,1]=4 628 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [1,1,0,0,0,0|1,0,1]=4 629 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [1,1,0,0,0,0|1,0,1]=4 630 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [1,1,0,0,0,0|1,0,1]=4 631 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [1,1,0,0,0,0|1,0,1]=4 632 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [1,1,0,0,0,0|1,0,1]=4 633 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [1,1,0,0,0,0|1,0,1]=4 634 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [1,1,0,0,0,0|1,0,1]=4 635 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [1,1,0,0,0,0|1,0,1]=4 636 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [1,1,0,0,0,0|1,0,1]=4 637 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [1,1,0,0,0,0|1,0,1]=4 638 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [1,1,0,0,0,0|1,0,1]=4 639 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [1,1,0,0,0,0|1,0,1]=4 640 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [1,1,0,0,0,0|1,0,1]=4 641 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [1,1,0,0,0,0|1,0,1]=4 642 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [1,1,0,0,0,0|1,0,1]=4 643 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [1,1,0,0,0,0|1,0,0]=3 644 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [1,1,0,0,0,0|1,0,1]=4 645 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [1,1,0,0,0,0|1,0,0]=3 646 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [1,1,0,0,0,0|1,0,0]=3 647 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [1,1,0,0,0,0|1,0,0]=3 648 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,1,0,0,0,0|1,0,1]=4 649 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,1,0,0,0,0|1,0,1]=4 650 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|2,0,0]=4 651 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,1,0,0,0,0|2,0,0]=4 652 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|2,0,0]=4 653 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,1,0,0,0,0|1,0,0]=3 654 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,1,0,0,0,0|1,0,0]=3 655 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,1,0,0,0,0|2,0,0]=4 656 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,1,0,0,0,0|2,0,0]=4 657 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,1,0,0,0,0|2,0,0]=4 658 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [1,1,0,0,0,0|2,0,0]=4 659 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|2,0,0]=4 660 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|2,0,0]=4 661 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,1,0,0,0,0|1,0,1]=4 662 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,1,0,0,0,0|1,0,1]=4 663 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,1,0,0,0,0|1,0,1]=4 664 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,1,0,0,0,0|1,0,1]=4 665 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|1,0,1]=4 666 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|1,0,1]=4 667 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|2,0,0]=4 668 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|0,0,2]=4 669 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|1,0,0]=3 670 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,1,0,0,0,0|2,0,0]=4 671 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [1,1,0,0,0,0|2,0,0]=4 672 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,1,0,0,0,0|2,0,0]=4 673 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [1,1,0,0,0,0|1,0,0]=3 674 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,1,0,0,0,0|2,0,0]=4 675 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,1,0,0,0,0|2,0,0]=4 676 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [1,1,0,0,0,0|1,0,1]=4 677 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [1,1,0,0,0,0|1,0,1]=4 678 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,1,0,0,0,0|2,0,0]=4 679 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,1,0,0,0,0|2,0,0]=4 680 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|1,0,0]=3 681 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,1,0,0,0,0|1,0,1]=4 682 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [1,1,0,0,0,0|1,0,0]=3 683 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [1,1,0,0,0,0|1,0,0]=3 684 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [1,1,0,0,0,0|1,0,0]=3 686 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [1,1,0,0,0,0|1,0,0]=3 687 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,1,0,0,0,0|0,0,0]=2 688 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [1,1,0,0,0,0|1,0,1]=4 689 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [1,1,0,0,0,0|2,0,0]=4 690 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [1,1,0,0,0,0|2,0,0]=4 691 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,1,0,0,0,0|1,0,0]=3 692 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,1,0,0,0,0|1,0,0]=3 693 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [1,1,0,0,0,0|0,1,0]=3 694 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,1,0,0,0,0|1,0,1]=4 695 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,1,0,0,0,0|1,0,1]=4 696 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,1,0,0,0,0|2,0,0]=4 697 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [1,1,0,0,0,0|1,0,0]=3 698 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [1,1,0,0,0,0|1,0,0]=3 699 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [1,1,0,0,0,0|2,0,0]=4 700 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [1,1,0,0,0,0|2,0,0]=4 701 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [1,1,0,0,0,0|1,0,1]=4 702 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [1,1,0,0,0,0|1,0,1]=4 703 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [1,1,0,0,0,0|1,0,1]=4 704 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [1,1,0,0,0,0|2,0,0]=4 705 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,1,0,0,0,0|1,0,0]=3 706 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [1,1,0,0,0,0|1,1,0]=4 707 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,1,0,0,0,0|0,0,0]=2 708 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [1,1,0,0,0,0|2,0,0]=4 709 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,1,0,0,0,0|1,0,0]=3 710 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [1,1,0,0,0,0|0,1,0]=3 711 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [1,1,0,0,0,0|1,0,1]=4 713 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [1,1,0,0,0,0|1,0,1]=4 714 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [1,1,0,0,0,0|1,0,1]=4 715 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [1,1,0,0,0,0|1,0,1]=4 716 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [1,1,0,0,0,0|1,0,1]=4 717 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [1,1,0,0,0,0|1,0,1]=4 718 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [1,1,0,0,0,0|1,0,1]=4 719 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [1,1,0,0,0,0|1,0,1]=4 720 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [1,1,0,0,0,0|1,0,1]=4 721 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,1,0,0,0,0|1,0,0]=3 722 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,1,0,0,0,0|1,0,0]=3 723 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,1,0,0,0,0|2,0,0]=4 724 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [1,1,0,0,0,0|1,0,1]=4 725 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [1,1,0,0,0,0|1,0,1]=4 726 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,1,0,0,0,0|1,0,0]=3 727 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [1,1,0,0,0,0|1,0,1]=4 728 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,1,0,0,1,0|2,0,0]=4 729 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,0,1|2,0,0]=4 730 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,0,0,0,1|2,0,0]=4 731 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,1,0,0,0,1|1,0,0]=3 732 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,1|2,0,0]=4 733 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,1|2,0,0]=4 734 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,0,0,0,1|2,0,0]=4 735 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,0,0,0,1|2,0,0]=4 736 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,0,0,0,1|2,0,0]=4 737 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,1|2,0,0]=4 738 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,1|2,0,0]=4 739 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,1|2,0,0]=4 740 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,0,0,0,1|2,0,0]=4 741 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,0,0,0,1|2,0,0]=4 742 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,0,1|2,0,0]=4 743 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,0,1|2,0,0]=4 744 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,0,1|2,0,0]=4 745 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,0,1|2,0,0]=4 746 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,0,1|2,0,0]=4 747 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,0,1|2,0,0]=4 748 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,0,1|2,0,0]=4 749 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,0,1|2,0,0]=4 750 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,0,1|2,0,0]=4 751 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,0,1|2,0,0]=4 752 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,0,1|2,0,0]=4 753 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,0,1|2,0,0]=4 754 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,0,1|2,0,0]=4 755 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,0,1|2,0,0]=4 756 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,0,1|2,0,0]=4 757 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,0,1|2,0,0]=4 758 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,1,0,0,0,1|2,0,0]=4 759 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,0,1|2,0,0]=4 760 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,0,1|2,0,0]=4 761 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,0,1|1,0,1]=4 762 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,0,1|1,0,1]=4 763 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,0,1|2,0,0]=4 764 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,1|1,0,0]=3 765 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,1|1,0,0]=3 766 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,1|1,0,0]=3 767 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,0,1|2,0,0]=4 768 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,0,1|2,0,0]=4 769 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,0,1|2,0,0]=4 770 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,1|1,0,0]=3 771 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,1,0,0,0,1|1,0,1]=4 772 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,1,0,0,0,1|1,0,1]=4 773 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,1,0,0,0,1|1,0,1]=4 774 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,1,0,0,0,1|1,0,1]=4 775 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,1,0,0,0,1|1,0,1]=4 776 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,1,0,0,0,1|1,0,1]=4 777 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,1,0,0,0,1|1,0,1]=4 778 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,1,0,0,0,1|1,0,1]=4 779 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,0,1|2,0,0]=4 780 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,0,1|2,0,0]=4 781 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,1|1,0,0]=3 782 B9R0.21 O=CC(O)COP(=O)(O)O MCULE-3089825671 [0,1,0,0,0,1|2,0,0]=4 783 B9R0.21 O=C[C@@H](O)COP(=O)(O)O MCULE-2424291446 [0,1,0,0,0,1|2,0,0]=4 784 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [0,1,0,0,0,1|1,0,0]=3 785 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [0,1,0,0,0,1|1,0,0]=3 786 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [0,1,0,0,0,1|1,0,0]=3 787 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,2,0,0,0,0|1,0,0]=3 788 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,2,0,0,0,0|2,0,0]=4 789 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,2,0,0,0,0|2,0,0]=4 790 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,2,0,0,0,0|1,0,0]=3 791 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,2,0,0,0,0|2,0,0]=4 792 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,2,0,0,0,0|2,0,0]=4 793 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,2,0,0,0,0|2,0,0]=4 794 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,2,0,0,0,0|2,0,0]=4 795 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,2,0,0,0,0|2,0,0]=4 796 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,2,0,0,0,0|2,0,0]=4 797 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,2,0,0,0,0|1,0,0]=3 798 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,2,0,0,0,0|2,0,0]=4 799 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,2,0,0,0,0|2,0,0]=4 800 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,2,0,0,0,0|1,0,0]=3 801 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,2,0,0,0,0|1,0,0]=3 802 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,2,0,0,0,0|1,0,1]=4 803 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,2,0,0,0,0|1,0,1]=4 804 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,2,0,0,0,0|2,0,0]=4 805 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,2,0,0,0,0|1,0,0]=3 806 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,2,0,0,0,0|1,0,0]=3 807 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,2,0,0,0,0|1,0,0]=3 808 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,2,0,0,0,0|1,0,0]=3 809 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,2,0,0,0,0|1,0,0]=3 810 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,2,0,0,0,0|1,0,0]=3 811 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,2,0,0,0,0|1,0,0]=3 812 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,2,0,0,0,0|1,0,0]=3 813 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,2,0,0,0,0|1,0,0]=3 814 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,2,0,0,0,0|1,0,0]=3 815 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,2,0,0,0,0|1,0,0]=3 816 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,2,0,0,0,0|1,0,0]=3 817 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,2,0,0,0,0|1,0,0]=3 818 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,2,0,0,0,0|1,0,0]=3 819 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,2,0,0,0,0|1,0,0]=3 820 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,2,0,0,0,0|1,1,0]=4 821 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,2,0,0,0,0|1,0,0]=3 822 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,2,0,0,0,0|1,0,0]=3 823 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,2,0,0,0,0|1,0,0]=3 824 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,2,0,0,0,0|1,0,0]=3 825 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,2,0,0,0,0|1,0,0]=3 826 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,2,0,0,0,0|1,0,0]=3 827 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,2,0,0,0,0|1,0,0]=3 828 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,2,0,0,0,0|1,0,0]=3 829 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,2,0,0,0,0|2,0,0]=4 830 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,2,0,0,0,0|1,0,0]=3 831 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,2,0,0,0,0|1,0,0]=3 832 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,2,0,0,0,0|1,0,0]=3 833 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,2,0,0,0,0|1,0,0]=3 834 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,2,0,0,0,0|1,0,0]=3 835 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,2,0,0,0,0|1,0,0]=3 836 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,2,0,0,0,0|1,1,0]=4 837 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,2,0,0,0,0|1,0,0]=3 838 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,2,0,0,0,0|1,0,0]=3 839 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-1120076524 [0,2,0,0,0,0|1,0,1]=4 840 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-4518735246 [0,2,0,0,0,0|1,0,1]=4 841 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,2,0,0,0,0|1,0,0]=3 842 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,2,0,0,0,0|1,0,0]=3 843 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,2,0,0,0,0|1,0,0]=3 844 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,2,0,0,0,0|1,0,0]=3 845 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-5904390200 [0,2,0,0,0,0|1,0,1]=4 846 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-7305038555 [0,2,0,0,0,0|1,0,1]=4 847 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9168226203 [0,2,0,0,0,0|1,0,1]=4 848 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9463773027 [0,2,0,0,0,0|1,0,1]=4 849 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,2,0,0,0,0|1,0,0]=3 850 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,2,0,0,0,0|1,0,0]=3 851 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,2,0,0,0,0|1,0,0]=3 852 B9R0.4 NNN=CN(N)CC(=O)O MCULE-9189796360 [0,2,0,0,0,0|2,0,0]=4 853 B9R0.34 C=CC(O)CC(=O)OCC MCULE-2209401732 [0,2,0,0,0,0|2,0,0]=4 854 B9R0.34 CCOC(=O)CC(Br)C=O MCULE-2487819242 [0,2,0,0,0,0|2,0,0]=4 855 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,2,0,0,0,0|2,0,0]=4 856 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,2,0,0,0,0|2,0,0]=4 857 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,2,0,0,0,0|2,0,0]=4 858 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,2,0,0,0,0|2,0,0]=4 859 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,2,0,0,0,0|2,0,0]=4 860 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,2,0,0,0,0|1,0,0]=3 861 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,2,0,0,0,0|1,0,0]=3 862 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,2,0,0,0,0|2,0,0]=4 863 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,2,0,0,0,0|2,0,0]=4 864 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,2,0,0,0,0|1,0,0]=3 865 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,2,0,0,0,0|2,0,0]=4 866 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,2,0,0,0,0|1,0,1]=4 867 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,2,0,0,0,0|1,0,0]=3 868 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,2,0,0,0,0|1,0,1]=4 869 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,2,0,0,0,0|2,0,0]=4 870 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,2,0,0,0,0|2,0,0]=4 871 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,2,0,0,0,0|2,0,0]=4 872 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,2,0,0,0,0|2,0,0]=4 873 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,2,0,0,0,0|2,0,0]=4 874 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,2,0,0,0,0|2,0,0]=4 875 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,2,0,0,0,0|2,0,0]=4 876 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,2,0,0,0,0|2,0,0]=4 877 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,2,0,0,0,0|2,0,0]=4 878 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,2,0,0,0,0|1,0,0]=3 879 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,2,0,0,0,0|2,0,0]=4 880 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,2,0,0,0,0|2,0,0]=4 881 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,2,0,0,0,0|1,0,0]=3 882 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,2,0,0,0,0|1,1,0]=4 883 B9R0.10 CN(CC(=O)O)S(=O)(=O)C MCULE-6401759445 [0,2,0,0,0,0|2,0,0]=4 884 B9R0.10 CN(CC(=O)O)S(=O)(=O)N MCULE-9026718715 [0,2,0,0,0,0|2,0,0]=4 885 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,2,0,0,0,0|2,0,0]=4 886 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,2,0,0,0,0|2,0,0]=4 887 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,2,0,0,0,0|2,0,0]=4 888 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,2,0,0,0,0|2,0,0]=4 889 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,2,0,0,0,0|1,0,0]=3 890 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,2,0,0,0,0|2,0,0]=4 891 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,2,0,0,0,0|2,0,0]=4 892 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,2,0,0,0,0|2,0,0]=4 893 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,2,0,0,0,0|1,0,0]=3 894 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,2,0,0,0,0|2,0,0]=4 895 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,2,0,0,0,0|1,1,0]=4 896 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [1,0,0,1,0,0|2,0,0]=4 897 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [1,0,0,1,0,0|2,0,0]=4 898 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [1,0,0,1,0,0|2,0,0]=4 899 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [1,0,0,1,0,0|1,0,1]=4 900 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [1,0,0,1,0,0|2,0,0]=4 901 B7R1.4 CN1CCOC1=O MCULE-7467321799 [1,0,0,1,0,0|1,0,1]=4 902 B7R1.4 NN1CCOC1=O MCULE-7407834106 [1,0,0,1,0,0|1,0,1]=4 903 B7R1.4 NN1CCOC1=O MCULE-8091613930 [1,0,0,1,0,0|1,0,1]=4 904 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,0,0,1,0,0|1,0,1]=4 905 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,0,0,1,0,0|1,0,1]=4 906 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,0,0,1,0,0|1,0,1]=4 907 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,0,0,1,0,0|1,0,1]=4 908 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,0,0,1,0,0|1,0,1]=4 909 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [1,0,0,1,0,0|1,0,1]=4 910 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|2,0,0]=4 911 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|2,0,0]=4 912 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|1,0,1]=4 913 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|1,0,1]=4 914 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|1,0,1]=4 915 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|1,0,1]=4 916 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|1,0,1]=4 917 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|1,0,1]=4 918 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|1,0,1]=4 919 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|1,0,1]=4 920 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|1,0,1]=4 921 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|1,0,1]=4 922 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|1,0,1]=4 923 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|1,0,1]=4 924 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|1,0,1]=4 925 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|1,0,1]=4 926 B9R1.1 O=CN1CCC(=O)CC1 MCULE-8700120367 [0,0,0,1,0,1|2,0,0]=4 927 B9R1.35 CN1C=NC(C1)C(=O)O MCULE-4940976118 [0,0,0,1,0,1|2,0,0]=4 928 B9R1.35 CN1C=NC(C1)C(=O)O MCULE-8264815969 [0,0,0,1,0,1|2,0,0]=4 929 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [0,0,0,1,0,1|1,0,0]=3 930 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,0,0,1,0,1|2,0,0]=4 931 B9R1.69 CN1CCC(=O)CC1=O MCULE-7583281341 [0,0,0,1,0,1|2,0,0]=4 932 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [0,0,0,1,0,1|2,0,0]=4 933 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,0,0,1,0,1|2,0,0]=4 934 B9R1.37 C1(C(=O)OC(=O)N1C)C MCULE-3598751334 [0,1,0,1,0,0|1,0,0]=3 935 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-5385796348 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-6531132040 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.37 CC1C(=O)NC(=O)N1C MCULE-8491807319 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.37 CC1C(=O)OC(=O)C1C MCULE-1136120780 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.37 CC1C(=O)OC(=O)N1C MCULE-1864135953 [0,1,0,1,0,0|1,0,0]=3 940 B9R1.37 CN1C(=O)CC(C1=O)O MCULE-4159978894 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.37 CN1C(=O)C[C@@H](C1=O)O MCULE-4702742954 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.37 CN1C(=O)NC(=O)C1O MCULE-7416083579 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.37 CN1CC(=O)N(C1=O)C MCULE-4679697256 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.37 CN1CC(=O)N(C1=O)N MCULE-1002182902 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-4681877546 [0,1,0,1,0,0|1,0,0]=3 946 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-6732719128 [0,1,0,1,0,0|1,0,0]=3 947 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-7917103150 [0,1,0,1,0,0|1,0,0]=3 948 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-9101652594 [0,1,0,1,0,0|1,0,0]=3 949 B9R1.37 O=C1OC(=O)C(C1Br)Br MCULE-1918579313 [0,1,0,1,0,0|2,0,0]=4 950 B9R1.41 CN1CC=CC1C(=O)O MCULE-5525753116 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.41 CN1CC=CC1C(=O)O MCULE-8585806688 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.96 O=NN1CCC1C(=O)O MCULE-4855920103 [0,1,0,1,0,0|2,0,0]=4 953 B9R1.13 O=C(O)CC1=CC=CO1 MCULE-8441709842 [0,1,0,1,0,0|2,0,0]=4 954 B9R1.13 O=C(O)CC1=CC=NO1 MCULE-1530103657 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.13 O=C(O)CC1=CN=CO1 MCULE-6840081660 [0,1,0,1,0,0|2,0,0]=4 956 B9R1.13 O=C(O)CC1=COC=C1 MCULE-9657437511 [0,1,0,1,0,0|2,0,0]=4 957 B9R1.13 O=C(O)CC1=CON=C1 MCULE-4980334302 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.13 O=C(O)CC1=NOC=C1 MCULE-9033104587 [0,1,0,1,0,0|2,0,0]=4 959 B9R1.13 O=C(O)CN1C=CC=C1 MCULE-2328864169 [0,1,0,1,0,0|2,0,0]=4 960 B9R1.13 O=C(O)CN1C=CC=N1 MCULE-6841999657 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.13 O=C(O)CN1C=CC=N1 MCULE-7124185827 [0,1,0,1,0,0|2,0,0]=4 962 B9R1.13 O=C(O)CN1C=CN=C1 MCULE-5564448666 [0,1,0,1,0,0|2,0,0]=4 963 B9R1.13 O=C(O)CN1C=CN=C1 MCULE-6772025310 [0,1,0,1,0,0|2,0,0]=4 964 B9R1.13 O=C(O)CN1C=CN=N1 MCULE-4822674812 [0,1,0,1,0,0|2,0,0]=4 965 B9R1.13 O=C(O)CN1C=CN=N1 MCULE-6170546878 [0,1,0,1,0,0|2,0,0]=4 966 B9R1.13 O=C(O)CN1C=NC=N1 MCULE-5004883798 [0,1,0,1,0,0|2,0,0]=4 967 B9R1.13 O=C(O)CN1C=NC=N1 MCULE-7489588316 [0,1,0,1,0,0|2,0,0]=4 968 B9R1.13 O=C(O)CN1C=NN=C1 MCULE-3454837161 [0,1,0,1,0,0|2,0,0]=4 969 B9R1.13 O=C(O)CN1C=NN=N1 MCULE-8164680022 [0,1,0,1,0,0|2,0,0]=4 970 B9R1.13 O=C(O)CN1N=CC=N1 MCULE-7659501232 [0,1,0,1,0,0|2,0,0]=4 971 B9R1.13 O=C(O)CN1N=CN=N1 MCULE-6265828785 [0,1,0,1,0,0|2,0,0]=4 972 B9R1.22 CCN1CC(=O)NC1=O MCULE-1851701594 [0,1,0,1,0,0|2,0,0]=4 973 B9R1.22 COC1=CC(=O)OC1=O MCULE-3106776074 [0,1,0,1,0,0|1,0,1]=4 974 B9R1.34 CC1=CC(CC(=O)O1)O MCULE-2892113646 [0,1,0,1,0,0|2,0,0]=4 975 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,1,0,1,0,0|2,0,0]=4 976 B9R1.34 CN1CC(=O)NC(=O)C1 MCULE-9312522895 [0,1,0,1,0,0|2,0,0]=4 977 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,1,0,1,0,0|1,0,0]=3 978 B9R1.34 O=C1CC(=O)OC(=O)C1 MCULE-9015105238 [0,1,0,1,0,0|1,0,1]=4 979 B9R1.38 CC1(CC(=O)OC1=O)C MCULE-3767285740 [0,1,0,1,0,0|2,0,0]=4 980 B9R1.38 O=C1CC(C(=O)O1)(F)F MCULE-1317624407 [0,1,0,1,0,0|2,0,0]=4 981 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,1,0,1,0,0|2,0,0]=4 982 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,1,0,1,0,0|2,0,0]=4 983 B9R1.23 COC1=CC(=O)N(C1)C MCULE-8240420653 [0,1,0,1,0,0|2,0,0]=4 984 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.161 O=C(Cl)C1OC1C(=O)Cl MCULE-9383694320 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,1,0,1,0,0|2,0,0]=4 987 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,1,0,1,0,0|1,0,0]=3 988 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,1,0,1,0,0|2,0,0]=4 989 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,1,0,1,0,0|2,0,0]=4 991 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,1,0,1,0,0|1,0,0]=3 992 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,1,0,1,0,0|1,0,0]=3 993 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,1,0,1,0,0|2,0,0]=4 994 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,1,0,1,0,0|2,0,0]=4 995 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,1,0,1,0,0|2,0,0]=4 996 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,1,0,1,0,0|1,0,0]=3 997 B9R1.161 O=C([O-])[C@H]1O[C@H]1C(=O)[O-] MCULE-9392079342 [0,1,0,1,0,0|1,0,1]=4 998 B9R2.25 O=C1OC(=O)C2C1C2 MCULE-2570796017 [0,0,0,2,0,0|2,0,0]=4 999 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [1,0,0,0,1,0|2,0,0]=4 1000 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,0,0,0,1,0|2,0,0]=4 1001 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [1,0,0,0,1,0|2,0,0]=4 1002 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [1,0,0,0,1,0|2,0,0]=4 1003 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,0,0,0,1,0|2,0,0]=4 1004 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,0,0,0,1,0|1,0,1]=4 1005 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,0,0,0,1,0|1,0,1]=4 1006 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,0,0,0,1,0|1,0,1]=4 1007 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,0,0,0,1,0|1,0,1]=4 1008 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,0,0,0,1,0|1,0,1]=4 1009 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,0,0,0,1,0|1,0,1]=4 1010 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,0,0,0,1,0|1,0,1]=4 1011 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,0,0,0,1,0|2,0,0]=4 1012 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,0,0,0,1,0|2,0,0]=4 1013 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [1,0,0,0,1,0|1,0,0]=3 1014 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [1,0,0,0,1,0|1,0,0]=3 1015 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [1,0,0,0,1,0|1,0,0]=3 1016 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [1,0,0,0,1,0|1,0,0]=3 1017 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [1,0,0,0,1,0|1,0,0]=3 1018 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [1,0,0,0,1,0|1,0,0]=3 1019 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [1,0,0,0,1,0|1,0,0]=3 1020 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [1,0,0,0,1,0|1,0,0]=3 1021 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [1,0,0,0,1,0|1,0,0]=3 1022 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [1,0,0,0,1,0|1,0,0]=3 1023 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [1,0,0,0,1,0|1,0,0]=3 1024 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,0,0,0,1,0|1,0,1]=4 1025 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [0,0,0,0,0,2|2,0,0]=4